Myeloperoxidase
OrganismNot specified
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Other combination Homooligomer Protein × 2 其他Polymer 6 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 166–744 Chain B； UniProt 166–744 | Non-standard monomer：Yes (specific site not provided by mmCIF) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ;2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 ;alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ;alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 CL CHLORIDE ION × 10 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 SCN THIOCYANATE ION × 3 8PR Paroxetine × 1 PO4 PHOSPHATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.2 M Potassium thiocyanate 0.1 M Sodium cacodylate 8% w/v PGA L/M | Resolution 2.60 Å R-free 0.220 |
| 2 | Other combination Homooligomer Protein × 2 其他Polymer 6 PDB declaration: dimeric（2） Consistent with protein copy count | Chain C； UniProt 166–744 Chain D； UniProt 166–744 | Non-standard monomer：Yes (specific site not provided by mmCIF) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ;alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ;alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ; × 2 ;alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 CL CHLORIDE ION × 8 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 SCN THIOCYANATE ION × 3 8PR Paroxetine × 1 PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.2 M Potassium thiocyanate 0.1 M Sodium cacodylate 8% w/v PGA L/M | Resolution 2.60 Å R-free 0.220 |
| 3 | Other combination Homooligomer Protein × 2 其他Polymer 6 PDB declaration: dimeric（2） Consistent with protein copy count | Chain E； UniProt 166–744 Chain F； UniProt 166–744 | Non-standard monomer：Yes (specific site not provided by mmCIF) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ;alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ; × 2 ;alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; × 2 CL CHLORIDE ION × 9 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 SCN THIOCYANATE ION × 2 8PR Paroxetine × 1 PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.2 M Potassium thiocyanate 0.1 M Sodium cacodylate 8% w/v PGA L/M | Resolution 2.60 Å R-free 0.220 |
| 4 | Other combination Homooligomer Protein × 2 其他Polymer 7 PDB declaration: dimeric（2） Consistent with protein copy count | Chain G； UniProt 166–744 Chain H； UniProt 166–744 | Non-standard monomer：Yes (specific site not provided by mmCIF) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ;2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ; × 2 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ;alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 CL CHLORIDE ION × 9 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 SCN THIOCYANATE ION × 2 8PR Paroxetine × 1 PO4 PHOSPHATE ION × 4 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.2 M Potassium thiocyanate 0.1 M Sodium cacodylate 8% w/v PGA L/M | Resolution 2.60 Å R-free 0.220 |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 7OIH | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1CXP CRYOGENIC CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C Deposited 1999-08-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain B
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain C
279–744（466 aa）
Fragment：HEAVY CHAIN
Chain D
279–744（466 aa）
Fragment：HEAVY CHAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 SO4 SULFATE ION × 3 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 ACT ACETATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；POLYETHYLENE GLYCOL 8000, AMMONIUM SULFATE, SODIUM ACETATE, CALCIUM CHLORIDE, pH 5.50, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.80 Å R-free 0.239 |
| 1CXP CRYOGENIC CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C Deposited 1999-08-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain C
279–744（466 aa）
Fragment：HEAVY CHAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 ACT ACETATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；POLYETHYLENE GLYCOL 8000, AMMONIUM SULFATE, SODIUM ACETATE, CALCIUM CHLORIDE, pH 5.50, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.80 Å R-free 0.239 |
| 1CXP CRYOGENIC CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C Deposited 1999-08-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain D
279–744（466 aa）
Fragment：HEAVY CHAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 ACT ACETATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；POLYETHYLENE GLYCOL 8000, AMMONIUM SULFATE, SODIUM ACETATE, CALCIUM CHLORIDE, pH 5.50, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.80 Å R-free 0.239 |
| 1D2V CRYSTAL STRUCTURE OF BROMIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5 Deposited 1999-09-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain B
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain C
279–744（466 aa）
Fragment：HEAVY CHAIN
Chain D
279–744（466 aa）
Fragment：HEAVY CHAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | BR BROMIDE ION × 8 SO4 SULFATE ION × 3 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 ACT ACETATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium acetate,
sodium bromide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 1.75 Å R-free 0.296 |
| 1D2V CRYSTAL STRUCTURE OF BROMIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5 Deposited 1999-09-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain D
279–744（466 aa）
Fragment：HEAVY CHAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | BR BROMIDE ION × 4 SO4 SULFATE ION × 1 CA CALCIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ACT ACETATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium acetate,
sodium bromide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 1.75 Å R-free 0.296 |
| 1D2V CRYSTAL STRUCTURE OF BROMIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5 Deposited 1999-09-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain C
279–744（466 aa）
Fragment：HEAVY CHAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | BR BROMIDE ION × 4 SO4 SULFATE ION × 2 CA CALCIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ACT ACETATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium acetate,
sodium bromide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 1.75 Å R-free 0.296 |
| 1D5L CRYSTAL STRUCTURE OF CYANIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5 Deposited 1999-10-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain B
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain C
279–744（466 aa）
Fragment：HEAVY CHAIN
Chain D
279–744（466 aa）
Fragment：HEAVY CHAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 SO4 SULFATE ION × 3 CYN CYANIDE ION × 4 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 ACT ACETATE ION × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium chloride,
sodium cyanide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 1.90 Å R-free 0.215 |
| 1D5L CRYSTAL STRUCTURE OF CYANIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5 Deposited 1999-10-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain D
279–744（466 aa）
Fragment：HEAVY CHAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 CYN CYANIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 ACT ACETATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium chloride,
sodium cyanide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 1.90 Å R-free 0.215 |
| 1D5L CRYSTAL STRUCTURE OF CYANIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5 Deposited 1999-10-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain C
279–744（466 aa）
Fragment：HEAVY CHAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 CYN CYANIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 ACT ACETATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium chloride,
sodium cyanide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 1.90 Å R-free 0.215 |
| 1D7W CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C COMPLEXED WITH CYANIDE AND BROMIDE AT PH 4.0 Deposited 1999-10-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain B
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain C
279–744（466 aa）
Fragment：HEAVY CHAIN
Chain D
279–744（466 aa）
Fragment：HEAVY CHAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | BR BROMIDE ION × 8 SO4 SULFATE ION × 5 CYN CYANIDE ION × 2 ACT ACETATE ION × 12 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium acetate,
sodium cyanide, sodium bromide, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 1.90 Å R-free 0.270 |
| 1D7W CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C COMPLEXED WITH CYANIDE AND BROMIDE AT PH 4.0 Deposited 1999-10-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain D
279–744（466 aa）
Fragment：HEAVY CHAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | BR BROMIDE ION × 4 SO4 SULFATE ION × 2 CYN CYANIDE ION × 1 ACT ACETATE ION × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium acetate,
sodium cyanide, sodium bromide, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 1.90 Å R-free 0.270 |
| 1D7W CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C COMPLEXED WITH CYANIDE AND BROMIDE AT PH 4.0 Deposited 1999-10-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–270（104 aa）
Fragment：LIGHT CHAIN
Chain C
279–744（466 aa）
Fragment：HEAVY CHAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | BR BROMIDE ION × 4 SO4 SULFATE ION × 3 CYN CYANIDE ION × 1 ACT ACETATE ION × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium acetate,
sodium cyanide, sodium bromide, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 1.90 Å R-free 0.270 |
| 1DNU STRUCTURAL ANALYSES OF HUMAN MYELOPEROXIDASE-THIOCYANATE COMPLEX Deposited 1999-12-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
167–270（104 aa）
Fragment：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104
Chain B
167–270（104 aa）
Fragment：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104
Chain C
279–744（466 aa）
Fragment：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578
Chain D
279–744（466 aa）
Fragment：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | SCN THIOCYANATE ION × 4 SO4 SULFATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ACY ACETIC ACID × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Vapor Diffusion, Hanging Drop with Macro Seeding；pH 5.5；295 K；Crystal is grown from sodium acetate, ammonium sulfate calcium chloride, and Peg MW 8000. It was subsequently
equilibrated with a substitute mother liquor which contained sodium thiocyanate., pH 5.5, Vapor Diffusion, Hanging Drop
with Macro Seeding, temperature 22K
|
Resolution 1.85 Å R-free 0.210 |
| 1DNU STRUCTURAL ANALYSES OF HUMAN MYELOPEROXIDASE-THIOCYANATE COMPLEX Deposited 1999-12-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
167–270（104 aa）
Fragment：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104
Chain D
279–744（466 aa）
Fragment：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SCN THIOCYANATE ION × 2 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACY ACETIC ACID × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Vapor Diffusion, Hanging Drop with Macro Seeding；pH 5.5；295 K；Crystal is grown from sodium acetate, ammonium sulfate calcium chloride, and Peg MW 8000. It was subsequently
equilibrated with a substitute mother liquor which contained sodium thiocyanate., pH 5.5, Vapor Diffusion, Hanging Drop
with Macro Seeding, temperature 22K
|
Resolution 1.85 Å R-free 0.210 |
| 1DNU STRUCTURAL ANALYSES OF HUMAN MYELOPEROXIDASE-THIOCYANATE COMPLEX Deposited 1999-12-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–270（104 aa）
Fragment：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104
Chain C
279–744（466 aa）
Fragment：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SCN THIOCYANATE ION × 2 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACY ACETIC ACID × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Vapor Diffusion, Hanging Drop with Macro Seeding；pH 5.5；295 K；Crystal is grown from sodium acetate, ammonium sulfate calcium chloride, and Peg MW 8000. It was subsequently
equilibrated with a substitute mother liquor which contained sodium thiocyanate., pH 5.5, Vapor Diffusion, Hanging Drop
with Macro Seeding, temperature 22K
|
Resolution 1.85 Å R-free 0.210 |
| 1DNW HUMAN MYELOPEROXIDASE-CYANIDE-THIOCYANATE COMPLEX Deposited 1999-12-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
167–270（104 aa）
Fragment：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104
Chain B
167–270（104 aa）
Fragment：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104
Chain C
279–744（466 aa）
Fragment：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578
Chain D
279–744（466 aa）
Fragment：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | SCN THIOCYANATE ION × 4 SO4 SULFATE ION × 3 CYN CYANIDE ION × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ACY ACETIC ACID × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Vapor Diffusion, Hanging Drop with Macro Seeding；pH 5.5；295 K；Co-crystal grown from sodium cyanide, sodium acetate, ammonium, sulfate, calcium chloride, and PEG MW 8000. It was
subsequently equilibrated with a substitute mother liquor containing sodium thiocyanate, pH 5.5, Vapor Diffusion,
Hanging Drop with Macro Seeding, temperature 22K
|
Resolution 1.90 Å R-free 0.224 |
| 1DNW HUMAN MYELOPEROXIDASE-CYANIDE-THIOCYANATE COMPLEX Deposited 1999-12-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–270（104 aa）
Fragment：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104
Chain C
279–744（466 aa）
Fragment：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SCN THIOCYANATE ION × 2 SO4 SULFATE ION × 2 CYN CYANIDE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACY ACETIC ACID × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Vapor Diffusion, Hanging Drop with Macro Seeding；pH 5.5；295 K；Co-crystal grown from sodium cyanide, sodium acetate, ammonium, sulfate, calcium chloride, and PEG MW 8000. It was
subsequently equilibrated with a substitute mother liquor containing sodium thiocyanate, pH 5.5, Vapor Diffusion,
Hanging Drop with Macro Seeding, temperature 22K
|
Resolution 1.90 Å R-free 0.224 |
| 1DNW HUMAN MYELOPEROXIDASE-CYANIDE-THIOCYANATE COMPLEX Deposited 1999-12-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
167–270（104 aa）
Fragment：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104
Chain D
279–744（466 aa）
Fragment：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SCN THIOCYANATE ION × 2 SO4 SULFATE ION × 1 CYN CYANIDE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACY ACETIC ACID × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Vapor Diffusion, Hanging Drop with Macro Seeding；pH 5.5；295 K；Co-crystal grown from sodium cyanide, sodium acetate, ammonium, sulfate, calcium chloride, and PEG MW 8000. It was
subsequently equilibrated with a substitute mother liquor containing sodium thiocyanate, pH 5.5, Vapor Diffusion,
Hanging Drop with Macro Seeding, temperature 22K
|
Resolution 1.90 Å R-free 0.224 |
| 1MHL CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C CRYSTALLIZED IN SPACE GROUP P2(1) AT PH 5.5 AND 20 DEG C Deposited 1995-06-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
165–272（108 aa）
Chain B
165–272（108 aa）
Chain C
279–744（466 aa）
Chain D
279–744（466 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；pH 5.5
|
Resolution 2.25 Å |
| 1MHL CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C CRYSTALLIZED IN SPACE GROUP P2(1) AT PH 5.5 AND 20 DEG C Deposited 1995-06-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
165–272（108 aa）
Chain D
279–744（466 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；pH 5.5
|
Resolution 2.25 Å |
| 1MHL CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C CRYSTALLIZED IN SPACE GROUP P2(1) AT PH 5.5 AND 20 DEG C Deposited 1995-06-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
165–272（108 aa）
Chain C
279–744（466 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；pH 5.5
|
Resolution 2.25 Å |
| 1MYP X-RAY CRYSTAL STRUCTURE OF CANINE MYELOPEROXIDASE AT 3 ANGSTROMS RESOLUTION Deposited 1992-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
165–272（108 aa）
Chain B
165–272（108 aa）
Chain C
279–744（466 aa）
Chain D
279–744（466 aa）
|
Not recorded | CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.00 Å |
| 3F9P Crystal structure of myeloperoxidase from human leukocytes Deposited 2008-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
165–278（114 aa）
Fragment：Light chain: UNP residues 165-278
Chain C
279–745（467 aa）
Fragment：Heavy chain: UNP residues 279-745
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ACT ACETATE ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.93 Å R-free 0.257 |
| 3F9P Crystal structure of myeloperoxidase from human leukocytes Deposited 2008-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
165–278（114 aa）
Fragment：Light chain: UNP residues 165-278
Chain D
279–745（467 aa）
Fragment：Heavy chain: UNP residues 279-745
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ACT ACETATE ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.93 Å R-free 0.257 |
| 3ZS0 Human Myeloperoxidase inactivated by TX2 Deposited 2011-06-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
70–177（108 aa）
Chain B
70–177（108 aa）
Chain C
184–650（467 aa）
Chain D
184–650（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 3 ZS0 3-(4-FLUOROBENZYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 ACT ACETATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；pH 5.5
|
Resolution 2.30 Å R-free 0.207 |
| 3ZS1 Human Myeloperoxidase inactivated by TX5 Deposited 2011-06-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
70–183（114 aa）
Chain D
184–650（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PVW 3-(2-METHOXYETHYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE × 1 SO4 SULFATE ION × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；16-17% PEG3350, 100 MM NACL, pH 5.5
|
Resolution 2.60 Å R-free 0.244 |
| 3ZS1 Human Myeloperoxidase inactivated by TX5 Deposited 2011-06-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
70–183（114 aa）
Chain C
184–650（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PVW 3-(2-METHOXYETHYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；16-17% PEG3350, 100 MM NACL, pH 5.5
|
Resolution 2.60 Å R-free 0.244 |
| 4C1M Myeloperoxidase in complex with the revesible inhibitor HX1 Deposited 2013-08-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
165–272（108 aa）
Chain D
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NIH 2-{[3,5-BIS(TRIFLUOROMETHYL)BENZYL]AMINO}-N-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXAMIDE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.278 |
| 4C1M Myeloperoxidase in complex with the revesible inhibitor HX1 Deposited 2013-08-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
165–272（108 aa）
Chain C
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NIH 2-{[3,5-BIS(TRIFLUOROMETHYL)BENZYL]AMINO}-N-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXAMIDE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.278 |
| 4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog Deposited 2012-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
167–270（104 aa）
Chain B
167–270（104 aa）
Chain C
279–744（466 aa）
Chain D
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K
|
Resolution 2.00 Å R-free 0.246 |
| 4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog Deposited 2012-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 10 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain J
167–270（104 aa）
Chain L
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K
|
Resolution 2.00 Å R-free 0.246 |
| 4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog Deposited 2012-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 11 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain M
167–270（104 aa）
Chain O
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K
|
Resolution 2.00 Å R-free 0.246 |
| 4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog Deposited 2012-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 12 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain N
167–270（104 aa）
Chain P
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K
|
Resolution 2.00 Å R-free 0.246 |
| 4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog Deposited 2012-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain E
167–270（104 aa）
Chain F
167–270（104 aa）
Chain G
279–744（466 aa）
Chain H
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K
|
Resolution 2.00 Å R-free 0.246 |
| 4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog Deposited 2012-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain I
167–270（104 aa）
Chain J
167–270（104 aa）
Chain K
279–744（466 aa）
Chain L
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K
|
Resolution 2.00 Å R-free 0.246 |
| 4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog Deposited 2012-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain M
167–270（104 aa）
Chain N
167–270（104 aa）
Chain O
279–744（466 aa）
Chain P
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K
|
Resolution 2.00 Å R-free 0.246 |
| 4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog Deposited 2012-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–270（104 aa）
Chain C
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K
|
Resolution 2.00 Å R-free 0.246 |
| 4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog Deposited 2012-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
167–270（104 aa）
Chain D
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K
|
Resolution 2.00 Å R-free 0.246 |
| 4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog Deposited 2012-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 7 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain E
167–270（104 aa）
Chain G
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K
|
Resolution 2.00 Å R-free 0.246 |
| 4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog Deposited 2012-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 8 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain F
167–270（104 aa）
Chain H
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K
|
Resolution 2.00 Å R-free 0.246 |
| 4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog Deposited 2012-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 9 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain I
167–270（104 aa）
Chain K
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K
|
Resolution 2.00 Å R-free 0.246 |
| 4EJX Structure of ceruloplasmin-myeloperoxidase complex Deposited 2012-04-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
165–278（114 aa）
Fragment：UNP residues 165-278
Chain D
279–745（467 aa）
Fragment：UNP residues 279-745
|
Not recorded | CU COPPER (II) ION × 7 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；280 K；40% MPD, 0.2 M potassium fluoride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 4.69 Å R-free 0.401 |
| 5FIW CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE AT 1.7 ANGSTROMS RESOLUTION Deposited 2015-10-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–271（105 aa）
Fragment：UNP RESIDUES 167-271
Chain C
279–744（466 aa）
Fragment：UNP RESIDUES 279-744
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 3 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 BMA beta-D-mannopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；15% PEG 3350, 100 MM NACL, pH 6
|
Resolution 1.70 Å R-free 0.193 |
| 5FIW CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE AT 1.7 ANGSTROMS RESOLUTION Deposited 2015-10-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
167–271（105 aa）
Fragment：UNP RESIDUES 167-271
Chain D
279–744（466 aa）
Fragment：UNP RESIDUES 279-744
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 BMA beta-D-mannopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；15% PEG 3350, 100 MM NACL, pH 6
|
Resolution 1.70 Å R-free 0.193 |
| 5MFA Crystal structure of human promyeloperoxidase (proMPO) Deposited 2016-11-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
49–745（697 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 5 PEG DI(HYDROXYETHYL)ETHER × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295.15 K；10% w/v PEG20000, 20% PEG MME 550, 0.1 mM Tris-Bicine, pH 8.5, 0.05 mM CaCl2
|
Resolution 1.20 Å R-free 0.143 |
| 5QJ2 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) OMPLEX WITH COMPOUND-20 AKA 7-((3-(1-METHYL-1H-PYRAZOL-3- YL)BENZYL)OXY)- 1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE Deposited 2018-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–271（105 aa）
Chain B
278–744（467 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 FUC alpha-L-fucopyranose × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 JXS 7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.82 Å R-free 0.272 |
| 5QJ2 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) OMPLEX WITH COMPOUND-20 AKA 7-((3-(1-METHYL-1H-PYRAZOL-3- YL)BENZYL)OXY)- 1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE Deposited 2018-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain D
167–271（105 aa）
Chain E
278–744（467 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 FUC alpha-L-fucopyranose × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 JXS 7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.82 Å R-free 0.272 |
| 5QJ2 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) OMPLEX WITH COMPOUND-20 AKA 7-((3-(1-METHYL-1H-PYRAZOL-3- YL)BENZYL)OXY)- 1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE Deposited 2018-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain F
167–271（105 aa）
Chain G
278–744（467 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 FUC alpha-L-fucopyranose × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 JXS 7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.82 Å R-free 0.272 |
| 5QJ2 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) OMPLEX WITH COMPOUND-20 AKA 7-((3-(1-METHYL-1H-PYRAZOL-3- YL)BENZYL)OXY)- 1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE Deposited 2018-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain H
167–271（105 aa）
Chain I
278–744（467 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 FUC alpha-L-fucopyranose × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.82 Å R-free 0.272 |
| 5QJ3 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-24 AKA 7-({4-CHLORO-3'-FLUORO-[1,1'- BIPHENYL]-3-YL}METHOXY)-3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN- 5-AMINE Deposited 2018-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–271（105 aa）
Chain B
278–744（467 aa）
|
Not recorded | CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 JXP 7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.76 Å R-free 0.228 |
| 5QJ3 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-24 AKA 7-({4-CHLORO-3'-FLUORO-[1,1'- BIPHENYL]-3-YL}METHOXY)-3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN- 5-AMINE Deposited 2018-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain D
167–271（105 aa）
Chain E
278–744（467 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.76 Å R-free 0.228 |
| 5UZU Immune evasion by a Staphylococcal Peroxidase Inhibitor that blocks myeloperoxidase Deposited 2017-02-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
72–649（578 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% w/v PEG-3350
0.2M ammonium citrate, pH 7.0
|
Resolution 2.40 Å R-free 0.241 |
| 5WDJ CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-6 AKA 7-(BENZYLOXY)-1H-[1,2, 3]TRIAZOLO[4,5-D]PYRIMIDIN-5-AMINE Deposited 2017-07-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
167–271（105 aa）
Fragment：UNP residues 167-271
Chain B
184–649（466 aa）
Fragment：UNP residues 183-649
Chain D
167–271（105 aa）
Fragment：UNP residues 167-271
Chain E
184–649（466 aa）
Fragment：UNP residues 183-649
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | AEY 7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine × 2 CL CHLORIDE ION × 4 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 CA CALCIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 FUC alpha-L-fucopyranose × 2 MAN alpha-D-mannopyranose × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.40 Å R-free 0.248 |
| 6AZP A Structurally Dynamic N-terminal Region Drives Function of the Staphylococcal Peroxidase Inhibitor (SPIN) Deposited 2017-09-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
72–648（577 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 BMA beta-D-mannopyranose × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% w/v PEG3350, 0.2 M ammonium citrate, pH 7.0
|
Resolution 2.29 Å R-free 0.229 |
| 6BMT Crystal Structure of a Recombinant form of Human Myeloperoxidase Bound to an Inhibitor from Staphylococcus delphini Deposited 2017-11-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–745（745 aa）
|
Not recorded | CA CALCIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；0.1 M acetate, pH 4.5-4.6, 25% w/v PEG3350
|
Resolution 2.40 Å R-free 0.218 |
| 6WXZ CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-29 A.K.A 7-(1,2-DIPHENYLETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE Deposited 2020-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–271（105 aa）
Chain B
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 HEC HEME C × 1 UEY 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 MAN alpha-D-mannopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.23 Å R-free 0.242 |
| 6WXZ CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-29 A.K.A 7-(1,2-DIPHENYLETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE Deposited 2020-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain D
167–271（105 aa）
Chain E
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 HEC HEME C × 1 UEY 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 MAN alpha-D-mannopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.23 Å R-free 0.242 |
| 6WY0 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine Deposited 2020-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–271（105 aa）
Chain B
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEC HEME C × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 UFA 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.80 Å R-free 0.216 |
| 6WY0 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine Deposited 2020-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain D
167–271（105 aa）
Chain E
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEC HEME C × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 3 UFA 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.80 Å R-free 0.216 |
| 6WY0 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine Deposited 2020-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain F
167–271（105 aa）
Chain G
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEC HEME C × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 UFA 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.80 Å R-free 0.216 |
| 6WY0 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine Deposited 2020-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain H
167–271（105 aa）
Chain I
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEC HEME C × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 UFA 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.80 Å R-free 0.216 |
| 6WY5 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl)amino)propyl)-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine Deposited 2020-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–271（105 aa）
Chain B
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEC HEME C × 1 CL CHLORIDE ION × 2 CA CALCIUM ION × 1 UF7 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.90 Å R-free 0.245 |
| 6WY5 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl)amino)propyl)-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine Deposited 2020-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain D
167–271（105 aa）
Chain E
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEC HEME C × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 UF7 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.90 Å R-free 0.245 |
| 6WY7 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}amino)propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine Deposited 2020-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–271（105 aa）
Chain B
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 HEC HEME C × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 UFD 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.09 Å R-free 0.185 |
| 6WY7 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}amino)propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine Deposited 2020-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain D
167–271（105 aa）
Chain E
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 HEC HEME C × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 UFD 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.09 Å R-free 0.185 |
| 6WYD CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid Deposited 2020-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–271（105 aa）
Chain B
279–745（467 aa）
|
Not recorded | CL CHLORIDE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 FUC alpha-L-fucopyranose × 1 HEC HEME C × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 7GD 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.55 Å R-free 0.254 |
| 6WYD CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid Deposited 2020-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain D
167–271（105 aa）
Chain E
279–745（467 aa）
|
Not recorded | CL CHLORIDE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 FUC alpha-L-fucopyranose × 1 HEC HEME C × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 7GD 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.55 Å R-free 0.254 |
| 6WYD CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid Deposited 2020-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain F
167–271（105 aa）
Chain G
279–745（467 aa）
|
Not recorded | CL CHLORIDE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 FUC alpha-L-fucopyranose × 1 HEC HEME C × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 7GD 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.55 Å R-free 0.254 |
| 6WYD CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid Deposited 2020-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain H
167–271（105 aa）
Chain I
279–745（467 aa）
|
Not recorded | CL CHLORIDE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 FUC alpha-L-fucopyranose × 1 HEC HEME C × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 7GD 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.55 Å R-free 0.254 |
| 7LAE CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-4 Deposited 2021-01-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–271（105 aa）
Chain B
184–649（466 aa）
|
Not recorded | CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 FUC alpha-L-fucopyranose × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 CA CALCIUM ION × 1 XRV 7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.97 Å R-free 0.267 |
| 7LAE CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-4 Deposited 2021-01-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain D
167–271（105 aa）
Chain E
184–649（466 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 FUC alpha-L-fucopyranose × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 CA CALCIUM ION × 1 XRV 7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.97 Å R-free 0.267 |
| 7LAG CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine Deposited 2021-01-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–271（105 aa）
Chain B
184–649（466 aa）
|
Not recorded | CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 XSD 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.85 Å R-free 0.235 |
| 7LAG CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine Deposited 2021-01-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain D
167–271（105 aa）
Chain E
184–649（466 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 XSD 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.85 Å R-free 0.235 |
| 7LAG CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine Deposited 2021-01-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain F
167–271（105 aa）
Chain G
184–649（466 aa）
|
Not recorded | CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 XSD 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.85 Å R-free 0.235 |
| 7LAG CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine Deposited 2021-01-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain H
167–271（105 aa）
Chain I
184–649（466 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 XSD 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.85 Å R-free 0.235 |
| 7LAL CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-18 AKA 7-(3-(2,3-DIHYDRO-1H-INDEN-1-YLAMINO)-1-PHENYLPROPYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE Deposited 2021-01-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–271（105 aa）
Chain B
184–649（466 aa）
|
Not recorded | CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 MAN alpha-D-mannopyranose × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.75 Å R-free 0.270 |
| 7LAL CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-18 AKA 7-(3-(2,3-DIHYDRO-1H-INDEN-1-YLAMINO)-1-PHENYLPROPYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE Deposited 2021-01-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain D
167–271（105 aa）
Chain E
184–649（466 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 MAN alpha-D-mannopyranose × 2 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 XSG 7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.75 Å R-free 0.270 |
| 7LAN CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine Deposited 2021-01-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–271（105 aa）
Chain B
184–649（466 aa）
|
Not recorded | CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 XS1 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.28 Å R-free 0.239 |
| 7LAN CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine Deposited 2021-01-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain D
167–271（105 aa）
Chain E
184–649（466 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 XS1 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.28 Å R-free 0.239 |
| 7LAN CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine Deposited 2021-01-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain F
167–271（105 aa）
Chain G
184–649（466 aa）
|
Not recorded | CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 XS1 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.28 Å R-free 0.239 |
| 7LAN CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine Deposited 2021-01-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain H
167–271（105 aa）
Chain I
184–649（466 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 XS1 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.28 Å R-free 0.239 |
| 7NI1 CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 9 Deposited 2021-02-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–271（105 aa）
Fragment：UNP RESIDUES 167-271
Chain C
279–744（466 aa）
Fragment：UNP RESIDUES 279-744
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 UEB (S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one × 1 BMA beta-D-mannopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；18% PEG 3350, 100 MM NACL, PROTEIN BUFFER CONTAINED 50 MM AMMOIUM SULPHATE, 20 MM AMMONIUM ACETATE PH 5.5 AND 2 MM CACL
|
Resolution 2.11 Å R-free 0.256 |
| 7NI1 CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 9 Deposited 2021-02-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
167–271（105 aa）
Fragment：UNP RESIDUES 167-271
Chain D
279–744（466 aa）
Fragment：UNP RESIDUES 279-744
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 3 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 UEB (S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one × 1 BMA beta-D-mannopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；18% PEG 3350, 100 MM NACL, PROTEIN BUFFER CONTAINED 50 MM AMMOIUM SULPHATE, 20 MM AMMONIUM ACETATE PH 5.5 AND 2 MM CACL
|
Resolution 2.11 Å R-free 0.256 |
| 7NI3 CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 3 Deposited 2021-02-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
167–271（105 aa）
Fragment：UNP RESIDUES 167-271
Chain C
279–744（466 aa）
Fragment：UNP RESIDUES 279-744
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 3 UE8 2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 BMA beta-D-mannopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；18% PEG 3350, 100 MM NACL, PROTEIN IN 50 MM AMMONIUM ACETATE, 2 MM CACL, 20 MM SODIUM ACETATE PH 5.5
|
Resolution 2.10 Å R-free 0.224 |
| 7NI3 CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 3 Deposited 2021-02-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
167–271（105 aa）
Fragment：UNP RESIDUES 167-271
Chain D
279–744（466 aa）
Fragment：UNP RESIDUES 279-744
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 2 UE8 2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 BMA beta-D-mannopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；18% PEG 3350, 100 MM NACL, PROTEIN IN 50 MM AMMONIUM ACETATE, 2 MM CACL, 20 MM SODIUM ACETATE PH 5.5
|
Resolution 2.10 Å R-free 0.224 |
| 7QZR Structure of native leukocyte myeloperoxidase in complex with the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus Deposited 2022-01-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
165–278（114 aa）
Chain B
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | EDO 1,2-ETHANEDIOL × 4 HEC HEME C × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 PO4 PHOSPHATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；298 K；8% (w/V) PEG 20000, 0.1 M BICINE pH 9, 0.5% (V/V) Dioxane
|
Resolution 2.18 Å R-free 0.244 |
| 7QZR Structure of native leukocyte myeloperoxidase in complex with the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus Deposited 2022-01-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
165–278（114 aa）
Chain D
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEC HEME C × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；298 K；8% (w/V) PEG 20000, 0.1 M BICINE pH 9, 0.5% (V/V) Dioxane
|
Resolution 2.18 Å R-free 0.244 |
| 7Z53 Structure of native leukocyte myeloperoxidase in complex with a truncated version (SPIN truncated) of the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus Deposited 2022-03-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
166–271（106 aa）
Fragment：UNP RESIDUES 167-271
Chain B
279–744（466 aa）
Chain C
166–271（106 aa）
Fragment：UNP RESIDUES 167-271
Chain D
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 HEC HEME C × 2 CA CALCIUM ION × 2 EDO 1,2-ETHANEDIOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；8% (w/V) PEG 20000, 0.1 M BICINE pH 9, 0.5% (V/V) Dioxane
|
Resolution 2.28 Å R-free 0.229 |
| 7Z53 Structure of native leukocyte myeloperoxidase in complex with a truncated version (SPIN truncated) of the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus Deposited 2022-03-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Heteromer；Protein × 6 PDB declaration: hexameric |
Chain G
166–271（106 aa）
Fragment：UNP RESIDUES 167-271
Chain H
279–744（466 aa）
Chain I
166–271（106 aa）
Fragment：UNP RESIDUES 167-271
Chain J
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 HEC HEME C × 2 CA CALCIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；8% (w/V) PEG 20000, 0.1 M BICINE pH 9, 0.5% (V/V) Dioxane
|
Resolution 2.28 Å R-free 0.229 |
| 7Z53 Structure of native leukocyte myeloperoxidase in complex with a truncated version (SPIN truncated) of the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus Deposited 2022-03-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Heteromer；Protein × 6 PDB declaration: hexameric |
Chain M
166–271（106 aa）
Fragment：UNP RESIDUES 167-271
Chain N
279–744（466 aa）
Chain O
166–271（106 aa）
Fragment：UNP RESIDUES 167-271
Chain P
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 HEC HEME C × 2 CA CALCIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 OXL OXALATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；8% (w/V) PEG 20000, 0.1 M BICINE pH 9, 0.5% (V/V) Dioxane
|
Resolution 2.28 Å R-free 0.229 |
| 7Z53 Structure of native leukocyte myeloperoxidase in complex with a truncated version (SPIN truncated) of the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus Deposited 2022-03-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Heteromer；Protein × 6 PDB declaration: hexameric |
Chain S
166–271（106 aa）
Fragment：UNP RESIDUES 167-271
Chain T
279–744（466 aa）
Chain U
166–271（106 aa）
Fragment：UNP RESIDUES 167-271
Chain V
279–744（466 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 HEC HEME C × 2 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；8% (w/V) PEG 20000, 0.1 M BICINE pH 9, 0.5% (V/V) Dioxane
|
Resolution 2.28 Å R-free 0.229 |
| 9GEN Recombinant Myeloperoxidase bound to nucleosome core particle Deposited 2024-08-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 9 PDB declaration: 11-meric |
Chain L
167–743（577 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.76 Å |
| 9GEP Native monomeric Myeloperoxidase bound to nucleosome core particle Deposited 2024-08-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 10 PDB declaration: 12-meric |
Chain M
165–272（108 aa）
Chain N
279–744（466 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.89 Å |
| 9GEQ Native dimeric Myeloperoxidase bound to nucleosome core particle; composite map Deposited 2024-08-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 12 PDB declaration: 14-meric |
Chain K
165–272（108 aa）
Chain L
279–744（466 aa）
Chain M
165–272（108 aa）
Chain N
279–744（466 aa）
|
Not recorded | CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.12 Å |
| 9GER Native dimeric Myeloperoxidase bound to nucleosome core particle, intermediate state; composite map Deposited 2024-08-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 12 PDB declaration: 14-meric |
Chain K
165–272（108 aa）
Chain L
279–744（466 aa）
Chain M
165–272（108 aa）
Chain N
279–744（466 aa）
|
Not recorded | CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.58 Å |
| 9IHD Nucleosome core particle bound by one molecule of DTT-reduced native monomeric myeloperoxidase Deposited 2025-02-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 10 PDB declaration: 12-meric |
Chain M
165–272（108 aa）
Chain N
279–744（466 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.97 Å |
| 9IHE Nucleosome core particle bound by two molecules of DTT-reduced native monomeric myeloperoxidase Deposited 2025-02-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 12 PDB declaration: 14-meric |
Chain K
165–272（108 aa）
Chain L
279–744（466 aa）
Chain M
165–272（108 aa）
Chain N
279–744（466 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.95 Å |
| 9IHF Nucleosome core particle bound by one monomer and one dimer of of DTT-reduced native myeloperoxidase Deposited 2025-02-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 14 PDB declaration: 16-meric |
Chain K
165–272（108 aa）
Chain L
279–744（466 aa）
Chain M
165–272（108 aa）
Chain N
279–744（466 aa）
Chain O
165–272（108 aa）
Chain P
279–744（466 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.16 Å |
| 9QE3 Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and selenocyanate at pH 5.5 Deposited 2025-03-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
165–278（114 aa）
Fragment：UNP RESIDUES 167-271
Chain B
279–745（467 aa）
Chain C
165–278（114 aa）
Fragment：UNP RESIDUES 167-271
Chain D
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | SEK SELENOCYANATE ION × 32 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；295.15 K；0.1 M Na Acet 5.5 pH (Buffer)
6 %(w/v) PEG 8K (Precipitant)
10 %(w/v) PEG 1K (Precipitant)
0.4 M KSeCN (Salt)
|
Resolution 2.06 Å R-free 0.234 |
| 9QEX Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and thiocyanate at pH 7.5 Deposited 2025-03-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
165–278（114 aa）
Fragment：UNP RESIDUES 167-271
Chain B
279–745（467 aa）
Chain C
165–278（114 aa）
Fragment：UNP RESIDUES 167-271
Chain D
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 2 SCN THIOCYANATE ION × 15 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；295.15 K；0.1 M TRIS 7.5 pH (Buffer)
4 %(w/v) PEG 8K (Precipitant)
10 %(w/v) PEG 1K (Precipitant)
0.4 M KSCN (Salt)
|
Resolution 1.90 Å R-free 0.216 |
| 9QGA Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and bromide at pH 7.5 Deposited 2025-03-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
165–278（114 aa）
Chain B
279–745（467 aa）
Chain C
165–278（114 aa）
Chain D
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 BR BROMIDE ION × 46 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；295.15 K；0.1 M TRIS 7.5 pH
6 %(w/v) PEG 8K
8 %(w/v) PEG 1K
0.4 M NaI
|
Resolution 2.21 Å R-free 0.252 |
| 9QJ3 Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and iodide at pH 5.5 Deposited 2025-03-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
165–278（114 aa）
Fragment：UNP RESIDUES 167-271
Chain B
279–745（467 aa）
Chain C
165–278（114 aa）
Fragment：UNP RESIDUES 167-271
Chain D
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | IOD IODIDE ION × 89 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；295.15 K；0.1 M Na Acet 5.5 pH
6 %(w/v) PEG 8K
10 %(w/v) PEG 1K
0.4 M NaI
|
Resolution 2.63 Å R-free 0.249 |
| 9QJO Structure of native leukocyte myeloperoxidase in complex with the Staphylococcal Peroxidase Inhibitor SPIN and bromide at pH 5.5 Deposited 2025-03-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
165–278（114 aa）
Chain B
279–745（467 aa）
Chain C
165–278（114 aa）
Chain D
279–745（467 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 BR BROMIDE ION × 56 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；295.15 K；10 %(w/v) PEG 1K
8 %(w/v) PEG 8K
0.4 M NaBr
0.1 M Na Acet 5.5 pH
|
Resolution 2.18 Å R-free 0.232 |
| 9SDS Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and chloride at pH 5.5 Deposited 2025-08-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
165–278（114 aa）
Fragment：UNP RESIDUES 167-271
Chain C
279–745（467 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IOD IODIDE ION × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；295.15 K；0.1 M Na Acet 5.5 pH (Buffer)
10 %w/v PEG 1K (Precipitant)
7 %w/v PEG 8K (Precipitant)
0.4 M NaI (Salt)
|
Resolution 2.49 Å R-free 0.234 |
| 9SDS Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and chloride at pH 5.5 Deposited 2025-08-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
165–278（114 aa）
Fragment：UNP RESIDUES 167-271
Chain D
279–745（467 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IOD IODIDE ION × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；295.15 K；0.1 M Na Acet 5.5 pH (Buffer)
10 %w/v PEG 1K (Precipitant)
7 %w/v PEG 8K (Precipitant)
0.4 M NaI (Salt)
|
Resolution 2.49 Å R-free 0.234 |
48 other PDB entries and 105 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | PERM_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–579； UniProt 166–744 Author chain B； PDBConstruct 1–579； UniProt 166–744 Author chain C； PDBConstruct 1–579； UniProt 166–744 Author chain D； PDBConstruct 1–579； UniProt 166–744 Author chain E； PDBConstruct 1–579； UniProt 166–744 Author chain F； PDBConstruct 1–579； UniProt 166–744 Author chain G； PDBConstruct 1–579； UniProt 166–744 Author chain H； PDBConstruct 1–579； UniProt 166–744 |
