Cytochrome P450
Rhodopseudomonas palustris
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 1–410 | Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 TWO 3,4-dimethoxybenzoic acid × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 30%(w/v) 1,5-Diaminopentane dihydrochloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K | Resolution 2.00 Å R-free 0.207 |
| 2 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain B； UniProt 1–410 | Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 2 TWO 3,4-dimethoxybenzoic acid × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 30%(w/v) 1,5-Diaminopentane dihydrochloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K | Resolution 2.00 Å R-free 0.207 |
| 3 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain C； UniProt 1–410 | Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 TWO 3,4-dimethoxybenzoic acid × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 30%(w/v) 1,5-Diaminopentane dihydrochloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K | Resolution 2.00 Å R-free 0.207 |
| 4 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain D； UniProt 1–410 | Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 TWO 3,4-dimethoxybenzoic acid × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 30%(w/v) 1,5-Diaminopentane dihydrochloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K | Resolution 2.00 Å R-free 0.207 |
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 4EGN | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 4DNZ The crystal structures of CYP199A4 Deposited 2012-02-09 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.5M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.60 Å R-free 0.256 |
| 4DNZ The crystal structures of CYP199A4 Deposited 2012-02-09 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.5M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.60 Å R-free 0.256 |
| 4DNZ The crystal structures of CYP199A4 Deposited 2012-02-09 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.5M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.60 Å R-free 0.256 |
| 4DNZ The crystal structures of CYP199A4 Deposited 2012-02-09 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.5M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.60 Å R-free 0.256 |
| 4DO1 The crystal structures of 4-methoxybenzoate bound CYP199A4 Deposited 2012-02-09 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.45M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.00 Å R-free 0.189 |
| 4DO1 The crystal structures of 4-methoxybenzoate bound CYP199A4 Deposited 2012-02-09 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.45M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.00 Å R-free 0.189 |
| 4DO1 The crystal structures of 4-methoxybenzoate bound CYP199A4 Deposited 2012-02-09 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.45M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.00 Å R-free 0.189 |
| 4DO1 The crystal structures of 4-methoxybenzoate bound CYP199A4 Deposited 2012-02-09 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.45M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.00 Å R-free 0.189 |
| 4EGM The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid Deposited 2012-03-31 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EGM 4-ethylbenzoic acid × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 0.5M Sodium fluoride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.91 Å R-free 0.249 |
| 4EGM The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid Deposited 2012-03-31 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EGM 4-ethylbenzoic acid × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 0.5M Sodium fluoride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.91 Å R-free 0.249 |
| 4EGM The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid Deposited 2012-03-31 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EGM 4-ethylbenzoic acid × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 0.5M Sodium fluoride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.91 Å R-free 0.249 |
| 4EGM The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid Deposited 2012-03-31 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EGM 4-ethylbenzoic acid × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 0.5M Sodium fluoride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.91 Å R-free 0.249 |
| 4EGO The X-ray crystal structure of CYP199A4 in complex with indole-6-carboxylic acid Deposited 2012-03-31 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1F1 1H-indole-6-carboxylic acid × 3 SO4 SULFATE ION × 2 GOL GLYCEROL × 2 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 1.0M Sodium iodide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.76 Å R-free 0.214 |
| 4EGO The X-ray crystal structure of CYP199A4 in complex with indole-6-carboxylic acid Deposited 2012-03-31 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1F1 1H-indole-6-carboxylic acid × 2 SO4 SULFATE ION × 1 GOL GLYCEROL × 3 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 1.0M Sodium iodide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.76 Å R-free 0.214 |
| 4EGO The X-ray crystal structure of CYP199A4 in complex with indole-6-carboxylic acid Deposited 2012-03-31 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1F1 1H-indole-6-carboxylic acid × 2 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 1.0M Sodium iodide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.76 Å R-free 0.214 |
| 4EGO The X-ray crystal structure of CYP199A4 in complex with indole-6-carboxylic acid Deposited 2012-03-31 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1F1 1H-indole-6-carboxylic acid × 2 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 1.0M Sodium iodide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.76 Å R-free 0.214 |
| 4EGP The X-ray crystal structure of CYP199A4 in complex with 2-naphthoic acid Deposited 2012-03-31 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 FIV naphthalene-2-carboxylic acid × 2 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 0.1M CoCl2, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.00 Å R-free 0.287 |
| 4EGP The X-ray crystal structure of CYP199A4 in complex with 2-naphthoic acid Deposited 2012-03-31 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 FIV naphthalene-2-carboxylic acid × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 0.1M CoCl2, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.00 Å R-free 0.287 |
| 5KDB The crystal structure of 4-isopropylbenzoate-bound CYP199A4 Deposited 2016-06-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 4IA 4-propan-2-ylbenzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；289.15 K；0.2M Magnesium acetate
PEG 3350 - 23% w/v
0.1M Bis-Tris, pH 5.5
|
Resolution 1.64 Å R-free 0.186 |
| 5KDY The crystal structure of the D251N mutant of CYP199A4 in complex with 4-methoxybenzoate Deposited 2016-06-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
|
Mutation：D252N | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.25；289.15 K；0.2M Magnesium acetate
PEG 3350 - 20% w/v
Bis Tris 0.1M - pH 5.25
|
Resolution 1.59 Å R-free 0.248 |
| 5KDZ The crystal structure of the T252A mutant of CYP199A4 in complex with 4-methoxybenzoate Deposited 2016-06-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
|
Mutation：T253A | ANN 4-METHOXYBENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.25；289.15 K；0.2M Magnesium acetate
PEG 3350, 23% w/v
0.1M Bis-Tris, pH 5.25
|
Resolution 1.42 Å R-free 0.177 |
| 5KT1 The crystal structure of 4-methylthiobenzoate-bound CYP199A4 Deposited 2016-07-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
|
Not recorded | 4MI 4-methylsulfanylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；289.15 K；0.2M Magnesium acetate
PEG 3350 - 23% w/v
Bis-Tris 0.1M - pH 5.5
|
Resolution 2.02 Å R-free 0.223 |
| 5U6T The crystal structure of 4-ethoxybenzoate-bound CYP199A4 Deposited 2016-12-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
Fragment：UNP residues 18-410
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 81J 4-ethoxybenzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.75；289.15 K；PEG 3350: 29% w/v
MgAc: 0.2M
Bis-Tris pH 5.75, 0.1M
1mM 4-ethoxybenzoic acid in 35mg/mL protein
|
Resolution 1.94 Å R-free 0.184 |
| 5U6U The crystal structure of 4-ethylthiobenzoate-bound CYP199A4 Deposited 2016-12-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
Fragment：UNP residues 18-410
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 81M 4-(ethylsulfanyl)benzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.25；289.15 K；0.2M MgAc
0.1M Bis-Tris, pH 5.25.
PEG 3350 23% w/v.
1mM 4-ethylthiobenzoic acid substrate in protein sample
|
Resolution 1.79 Å R-free 0.202 |
| 5U6W The crystal structure of 4-methylaminobenzoate-bound CYP199A4 Deposited 2016-12-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
Fragment：UNP residues 18-410
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 81P 4-(methylamino)benzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；289.15 K；0.2M MgAc
Bis-Tris 0.1M, pH 5.5
PEG 3350, 23 % w/v.
1mM 4-methylaminobenzoic acid in protein sample.
|
Resolution 2.64 Å R-free 0.261 |
| 5UVB The crystal structure of 4-cyclopropylbenzoate-bound CYP199A4 Deposited 2017-02-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
Fragment：UNP residues 18-410
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 8QM 4-cyclopropylbenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；298.15 K；23% PEG3350 w/v, 50mM Bis-Tris, pH 5.0, MgAc, 0.2M
|
Resolution 1.54 Å R-free 0.179 |
| 5YQA The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid Deposited 2017-11-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 8ZU 4-propylbenzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.25M NaCl, 1.5M (NH4)2SO4, 0.1M Bis-Tris, pH 8.0
|
Resolution 1.38 Å R-free 0.196 |
| 5YQH The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid Deposited 2017-11-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 8ZX 4-methoxybenzamide × 3 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.25M NaCl, 1.5M (NH4)2SO4, 0.1M Bis-Tris, pH 8.0
|
Resolution 2.30 Å R-free 0.237 |
| 5YQH The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid Deposited 2017-11-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 8ZX 4-methoxybenzamide × 3 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.25M NaCl, 1.5M (NH4)2SO4, 0.1M Bis-Tris, pH 8.0
|
Resolution 2.30 Å R-free 0.237 |
| 5YQH The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid Deposited 2017-11-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 8ZX 4-methoxybenzamide × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.25M NaCl, 1.5M (NH4)2SO4, 0.1M Bis-Tris, pH 8.0
|
Resolution 2.30 Å R-free 0.237 |
| 5YQH The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid Deposited 2017-11-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 8ZX 4-methoxybenzamide × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.25M NaCl, 1.5M (NH4)2SO4, 0.1M Bis-Tris, pH 8.0
|
Resolution 2.30 Å R-free 0.237 |
| 6C2D The crystal structure of 4-cyclohexylbenzoate-bound CYP199A4 Deposited 2018-01-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
|
Not recorded | CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EH1 4-cyclohexylbenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.25；289.15 K；PEG 3350, 23 % w/v
Bis-Tris, 0.1M, pH 5.25
MgAc, 0.2M
|
Resolution 1.79 Å R-free 0.186 |
| 6C3H The crystal structure of 4-n-heptylbenzoate-bound CYP199A4 Deposited 2018-01-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EJV 4-heptylbenzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；289.15 K；McAc, 0.2M
Bis-Tris, 0.1M, pH 5.5
PEG-3350, 26 % w/v
|
Resolution 1.71 Å R-free 0.211 |
| 6C3J The crystal structure of 4-(thiophen-3-yl)benzoate-bound CYP199A4 Deposited 2018-01-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
|
Not recorded | EJD 4-(thiophen-3-yl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；289.15 K；0.2M MgAc
0.1M Bis-Tris, pH 5.5
23 % w/v PEG-3350
|
Resolution 1.66 Å R-free 0.195 |
| 6OOW The crystal structure of 4-ethylbenzoate bound to T252A mutant of CYP199A4 Deposited 2019-04-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
|
Not recorded | CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EGM 4-ethylbenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；289.15 K；0.1 M Bis-Tris, pH 5.5, 23% w/v PEG3350, 0.2 M magnesium acetate tetrahydrate
|
Resolution 1.60 Å R-free 0.168 |
| 6OOX The crystal structure of 4-isopropylbenzoate bound to T252A mutant of CYP199A4 Deposited 2019-04-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 4IA 4-propan-2-ylbenzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.25；289.15 K；0.1 M Bis-Tris, pH 5.25, 23% w/v PEG3350, 0.2 M magnesium acetate tetrahydrate
|
Resolution 1.77 Å R-free 0.290 |
| 6PQ6 The crystal structure of 3-methoxybenzoate-bound CYP199A4 Deposited 2019-07-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | OVM 3-methoxybenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；1:1 35-40 mg/mL protein (in 50 mM Tris-HCl, pH 7.4) + reservoir (0.2 M magnesium acetate, 100 mM Bis-Tris buffer adjusted with acetic acid to pH 5.0-5.75, 20-32% w/v PEG3350)
|
Resolution 1.66 Å R-free 0.185 |
| 6PQD The crystal structure of 3-methylthiobenzoate-bound CYP199A4 Deposited 2019-07-09 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 OVP 3-(methylsulfanyl)benzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；1:1 35-40 mg/mL CYP199A4 (in 50 mM Tris-HCl, pH 7.4) + reservoir (0.2 M magnesium acetate, 100 mM Bis-Tris buffer adjusted with acetic acid to pH 5.0-5.75, 20-32% w/v PEG3350)
|
Resolution 1.89 Å R-free 0.200 |
| 6PQS The crystal structure of 4-methylbenzoate-bound CYP199A4 Deposited 2019-07-10 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 4MA 4-METHYLBENZOIC ACID × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris adjusted with acetic acid to pH 5.0-5.75, 20-32% w/v PEG3350
|
Resolution 1.60 Å R-free 0.194 |
| 6PQW The crystal structure of 3-methylbenzoate-bound CYP199A4 Deposited 2019-07-10 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | OVV 3-methylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris adjusted with acetic acid to pH 5.0-5.75, 20-32% w/v PEG3350
|
Resolution 1.68 Å R-free 0.188 |
| 6PRR The crystal structure of 3-methylaminobenzoate-bound CYP199A4 Deposited 2019-07-11 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | OW4 3-(methylamino)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；1:1 35-40 mg/mL protein (in 50 mM Tris-HCl, pH 7.4) + reservoir (0.2 M magnesium acetate, 100 mM Bis-Tris adjusted with acetic acid to pH 5.0-5.75, 20-32% w/v PEG3350)
|
Resolution 1.67 Å R-free 0.184 |
| 6PRS The crystal structure of 3-ethoxybenzoate-bound CYP199A4 Deposited 2019-07-11 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 OW7 3-ethoxybenzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris adjusted with acetic acid to pH 5.0-5.75, 20-32% w/v PEG3350
|
Resolution 2.37 Å R-free 0.222 |
| 6U30 The crystal structure of 4-pyridin-3-ylbenzoate-bound CYP199A4 Deposited 2019-08-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | PQM 4-(pyridin-3-yl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75), 20-32% w/v PEG3350
|
Resolution 1.66 Å R-free 0.193 |
| 6U31 The crystal structure of 4-(1H-imidazol-1-yl)benzoate-bound CYP199A4 Deposited 2019-08-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PQP 4-(1H-imidazol-1-yl)benzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 20-32% w/v PEG3350
|
Resolution 1.58 Å R-free 0.178 |
| 6U3K The crystal structure of 4-(pyridin-2-yl)benzoate-bound CYP199A4 Deposited 2019-08-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 PQS 4-(pyridin-2-yl)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75),20-32% w/v PEG3350
|
Resolution 1.80 Å R-free 0.239 |
| 6UNN The crystal structure of 4-methoxycinnamic acid-bound CYP199A4 Deposited 2019-10-13 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 K3Z (E)-3-(4-methoxyphenyl)acrylic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；283.15 K；1 uL protein + 1 uL reservoir solution against 500 uL reservoir solution (0.2 M magnesium acetate, 15-30% PEG-3350, 0.1 M Bis-Tris, pH 5-5.75)
|
Resolution 1.66 Å R-free 0.196 |
| 6VJX The crystal structure of 4-isobutylbenzoic acid-bound CYP199A4 Deposited 2020-01-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 QZP 4-(2-methylpropyl)benzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；287.15 K；0.2 M magnesium acetate, 15-30% w/v PEG3350, 0.1 M Bis-Tris, pH 5-5.75
|
Resolution 1.79 Å R-free 0.179 |
| 6WZP The crystal structure of 4-vinylbenzoate-bound T252A mutant CYP199A4 Deposited 2020-05-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
|
Mutation：T252A | CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 MW7 4-ethenylbenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；289.15 K；0.2 M magnesium acetate, 23% w/v PEG3350, 0.1 M Bis-Tris, pH 5.5
|
Resolution 1.65 Å R-free 0.250 |
| 7JW5 Crystal structure of WT-CYP199A4 in complex with 4-phenylbenzoic acid Deposited 2020-08-24 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | Z7Z biphenyl-4-carboxylic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris (adjusted with acetic acid to pH 5.0-5.75), 20-32 % w/v PEG3350
|
Resolution 1.53 Å R-free 0.198 |
| 7JXB The crystal structure of 4-(3'-methoxyphenyl)benzoic acid-bound CYP199A4 Deposited 2020-08-27 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | VLG 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；287 K；0.2 M magnesium acetate, 100 mM Bis-Tris (adjusted with acetic acid to pH 5.0-5.75), 20-32% w/v PEG3350
|
Resolution 1.66 Å R-free 0.166 |
| 7KCS The crystal structure of 4-vinylbenzoate-bound wild-type CYP199A4 Deposited 2020-10-07 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 MW7 4-ethenylbenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.25；289.15 K；1 mM substrate, 0.2 M magnesium acetate tetrahydrate, 20-23% w/v PEG3350, 0.1 M Bis-Tris, pH 5.25, 500 uL reservoir, crystals grew in 2 weeks
|
Resolution 1.77 Å R-free 0.237 |
| 7N14 Crystal structure of 4-(1H-1,2,4-triazol-1-yl)benzoic acid-bound CYP199A4 Deposited 2021-05-26 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | ZRS 4-(1H-1,2,4-triazol-1-yl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；0.2 M magnesium acetate, 100 mM Bis-Tris (adjusted with acetic acid to pH 5.0-5.75), 20-32% w/v PEG3350
|
Resolution 1.54 Å R-free 0.197 |
| 7N60 The crystal structure of 4-methoxybenzoate-bound CYP199A S244D mutant Deposited 2021-06-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
Fragment：UNP residues 18-410
|
Mutation：S244D | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.25；289 K；0.1 M Bis-Tris, pH 5.25, 22% PEG3350, 0.2 M magnesium acetate
|
Resolution 1.89 Å R-free 0.264 |
| 7R8S The crystal structure of CYP199A4 bound to 4-n-propylbenzoic acid Deposited 2021-06-27 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 8ZU 4-propylbenzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris (adjusted with acetic acid to pH 5.0-5.75), 20-32% w/v PEG3350
|
Resolution 1.37 Å R-free 0.186 |
| 7R8T High-resolution crystal structure of CYP199A4 bound to 4-ethylbenzoic acid Deposited 2021-06-27 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EGM 4-ethylbenzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris (adjusted with acetic acid to pH 5.0-5.75), 20-32% w/v PEG3350
|
Resolution 1.37 Å R-free 0.180 |
| 7REH Crystal structure of T252E CYP199A4 bound to 4-methoxybenzoic acid Deposited 2021-07-12 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：T252E | ANN 4-METHOXYBENZOIC ACID × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 ACT ACETATE ION × 3 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris (adjusted with acetic acid to pH 5.0-5.75) 20-32% w/v PEG3350
|
Resolution 1.54 Å R-free 0.203 |
| 7TND The crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid Deposited 2022-01-20 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 JO4 4-phenoxybenzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；0.2 M magnesium acetate, 100 mM Bis-Tris (adjusted with acetic acid to pH 5.0-5.75), 20-32% w/v PEG3350
|
Resolution 1.82 Å R-free 0.245 |
| 7TNF The crystal structure of F298V CYP199A4 bound to 4-phenylbenzoic acid Deposited 2022-01-21 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：F298V | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 Z7Z biphenyl-4-carboxylic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
|
Resolution 1.54 Å R-free 0.171 |
| 7TNU The crystal structure of F298V CYP199A4 bound to 4-cyclohexylbenzoic acid Deposited 2022-01-21 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：F298V | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EH1 4-cyclohexylbenzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
|
Resolution 1.58 Å R-free 0.211 |
| 7TP5 The crystal structure of T252E CYP199A4 bound to 4-ethylthiobenzoic acid Deposited 2022-01-25 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 81M 4-(ethylsulfanyl)benzoic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
|
Resolution 1.66 Å R-free 0.204 |
| 7TP6 The crystal structure of T252E CYP199A4 bound to 4-methylthiobenzoic acid Deposited 2022-01-25 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | 4MI 4-methylsulfanylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
|
Resolution 1.66 Å R-free 0.232 |
| 7TQM The crystal structure of D251N CYP199A4 bound to 4-methylthiobenzoic acid Deposited 2022-01-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
|
Not recorded | 4MI 4-methylsulfanylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.44 Å R-free 0.203 |
| 7TRT The crystal structure of CYP199A4 bound to 4-(furan-2-yl)benzoic acid Deposited 2022-01-30 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 KQF 4-(furan-2-yl)benzoic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.42 Å R-free 0.172 |
| 7TRU The crystal structure of WT CYP199A4 bound to 4-(thiophen-2-yl)benzoic acid Deposited 2022-01-31 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | KQR 4-(thiophen-2-yl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.45 Å R-free 0.189 |
| 7TZM The crystal structure of WT CYP199A4 bound to 4-iodobenzoic acid Deposited 2022-02-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | KZ6 4-iodobenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；For crystallisation, CYP199A4 was concentrated to approx. 40 mg mL-1 in 50 mM Tris buffer, pH 7.4. The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350.
|
Resolution 1.52 Å R-free 0.212 |
| 7TZN The crystal structure of WT CYP199A4 bound to 4-fluorobenzoic acid Deposited 2022-02-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | 1Y6 4-fluorobenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350.
|
Resolution 1.84 Å R-free 0.225 |
| 7TZW The crystal structure of WT CYP199A4 bound to 4-chlorobenzoic acid Deposited 2022-02-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | 174 4-CHLORO-BENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；For crystallisation, CYP199A4 was concentrated to approx. 40 mg mL-1 in 50 mM Tris buffer, pH 7.4. Crystals were obtained using the hanging-drop vapour diffusion method at 16 degrees C using 1.2 microlitres of protein with 1.2 microlitres of reservoir solution and equilibrated with 500 microlitres of the same reservoir solution. The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350.
|
Resolution 1.46 Å R-free 0.187 |
| 7TZX The crystal structure of WT CYP199A4 bound to 4-chloromethylbenzoic acid Deposited 2022-02-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | L3C 4-(chloromethyl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.41 Å R-free 0.180 |
| 7TZY The crystal structure of WT CYP199A4 bound to 4-(2-bromoethyl)benzoic acid Deposited 2022-02-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | L3K 4-(2-bromoethyl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；For crystallisation, CYP199A4 was concentrated to approx. 40 mg mL-1 in 50 mM Tris buffer, pH 7.4. The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.99 Å R-free 0.204 |
| 7U00 The crystal structure of WT CYP199A4 bound to 4-(2-chloroethyl)benzoic acid Deposited 2022-02-17 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 L4I 4-(2-chloroethyl)benzoic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；For crystallisation, CYP199A4 was concentrated to approx. 40 mg mL-1 in 50 mM Tris buffer, pH 7.4. The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.66 Å R-free 0.200 |
| 7UDF The crystal structure of F298V CYP199A4 bound to 4-n-propylbenzoic acid Deposited 2022-03-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：F298V | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 8ZU 4-propylbenzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；For crystallisation, F298V CYP199A4 was concentrated to approx. 30-40 mg mL-1 in 50 mM Tris, pH 7.4. The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350.
|
Resolution 1.54 Å R-free 0.221 |
| 8D1C Crystal structure of T252E-CYP199A4 in complex with 4-(Trifluoromethoxy)benzoic acid Deposited 2022-05-27 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：T252E | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 M4F 4-(trifluoromethoxy)benzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289 K；0.2 M Magnesium Acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20-32 % w/v polyethylene glycol (PEG) 3350
|
Resolution 1.95 Å R-free 0.234 |
| 8D39 The crystal structure of WT CYP199A4 bound to 4-benzoylbenzoic acid Deposited 2022-06-01 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | QDB 4-benzoylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20-32% w/v polyethylene glycol (PEG) 3350
|
Resolution 1.27 Å R-free 0.148 |
| 8DYB The crystal structure of the T252A mutant of CYP199A4 bound to 4-methylthiobenzoic acid Deposited 2022-08-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
|
Mutation：T252A | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 4MI 4-methylsulfanylbenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.88 Å R-free 0.262 |
| 8E5J The crystal structure of 4-n-butylbenzoic acid bound CYP199A4 Deposited 2022-08-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
18–410（393 aa）
|
Not recorded | MH0 Mesoheme × 1 HX1 4-butylbenzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；287.15 K；0.2 M magnesium acetate, 15-30% w/v PEG3350, 0.1 M Bis-Tris, pH 5-5.75
|
Resolution 2.30 Å R-free 0.222 |
| 8G35 Crystal structure of F182L-CYP199A4 in complex with (S)-4-(2-hydroxy-3-oxobutan-2-yl)benzoic acid Deposited 2023-02-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：F182L | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 YJE 4-[(2S)-2-hydroxy-3-oxobutan-2-yl]benzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289 K；0.2 M Magnesium Acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20-32 % w/v polyethylene glycol (PEG) 3350
|
Resolution 2.00 Å R-free 0.220 |
| 8G36 Crystal structure of F182L-CYP199A4 in complex with terephthalic acid Deposited 2023-02-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：F182L | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 UB7 terephthalic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289 K；0.2 M Magnesium Acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20-32 % w/v polyethylene glycol (PEG) 3350
|
Resolution 2.10 Å R-free 0.253 |
| 8GLY Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid Deposited 2023-03-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
3–410（408 aa）
|
Mutation：T252E | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PHB P-HYDROXYBENZOIC ACID × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20 - 32 % PEG 3350
|
Resolution 2.03 Å R-free 0.226 |
| 8GLZ Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid. Crystal was initially co-crystallised with 4-methoxybenzoic acid and soaked with 4 mM hydrogen peroxide Deposited 2023-03-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
3–410（408 aa）
|
Mutation：T252E | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PHB P-HYDROXYBENZOIC ACID × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20 - 32 % PEG 3350
|
Resolution 2.02 Å R-free 0.247 |
| 8GM1 Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 1 mM hydrogen peroxide Deposited 2023-03-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
3–410（408 aa）
|
Mutation：T252E | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20 - 32 % PEG 3350
|
Resolution 1.85 Å R-free 0.200 |
| 8GM2 Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 2 mM hydrogen peroxide Deposited 2023-03-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
3–410（408 aa）
|
Mutation：T252E | ANN 4-METHOXYBENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20 - 32 % PEG 3350
|
Resolution 2.33 Å R-free 0.269 |
| 8HGB Crystal structure of the CYP199A4 mutant F182G in complex with 3-hydroxy-4-methoxybenzoic acid Deposited 2022-11-14 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：F182G | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 L6X 4-methoxy-3-oxidanyl-benzoic acid × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M MgAc, 0.1 M Bis-tris 5.5, 27% PEG3350
|
Resolution 1.54 Å R-free 0.177 |
| 8HGC Crystal structure of the CYP199A4 mutant F182T in complex with 4-methoxybenzoic acid Deposited 2022-11-14 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：F182T | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 GOL GLYCEROL × 1 ACT ACETATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.2 M MgAc, 0.1 M Bis-tris 5.5, 27% PEG3350
|
Resolution 1.72 Å R-free 0.177 |
| 8TAW The crystal structure of T252E CYP199A4 bound to 4-(pyridin-2-yl)benzoic acid Deposited 2023-06-28 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：T252E | CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PQS 4-(pyridin-2-yl)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.73 Å R-free 0.185 |
| 8TAY The crystal structure of T252E CYP199A4 bound to 4-(thiophen-3-yl)benzoic acid Deposited 2023-06-28 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：T252E | EJD 4-(thiophen-3-yl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350.
|
Resolution 2.02 Å R-free 0.223 |
| 8TNK The crystal structure of the T252E mutant of CYP199A4 bound to 4-benzylbenzoic acid Deposited 2023-08-02 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：T252E | IRJ 4-benzylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization conditions used were those optimized for CYP199A4 previously:
100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350.
|
Resolution 1.79 Å R-free 0.208 |
| 8VFP The crystal structure of GALQE CYP199A4 bound to 4-methylbenzoic acid Deposited 2023-12-21 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：A248G, G249A, D251Q, T252E | 4MA 4-METHYLBENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 2.70 Å R-free 0.277 |
| 8VFR The crystal structure of 4-methylbenzoic acid-bound GALQE CYP199A4 after soaking in 10 mM H2O2 for 5 minutes Deposited 2023-12-21 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：A248G, G249A, D251Q, T252E | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 4MA 4-METHYLBENZOIC ACID × 1 E5X 4-(hydroxymethyl)benzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 2.02 Å R-free 0.239 |
| 8VKF The crystal structure of wild-type CYP199A4 bound to 4-propionylbenzoic acid Deposited 2024-01-09 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 LVK 4-propanoylbenzoic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.70 Å R-free 0.212 |
| 8VL0 The crystal structure of wild-type CYP199A4 bound to 4-(2-oxopropyl)benzoic acid Deposited 2024-01-11 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | LVC 4-(2-oxopropyl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.84 Å R-free 0.222 |
| 8VOC The crystal structure of wild-type CYP199A4 bound to 4-trifluoromethoxybenzoic acid Deposited 2024-01-15 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | M4F 4-(trifluoromethoxy)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.54 Å R-free 0.163 |
| 8VOK The crystal structure of wild-type CYP199A4 bound to 4-hydroxybenzoic acid Deposited 2024-01-15 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | PHB P-HYDROXYBENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.54 Å R-free 0.188 |
| 8VOT The crystal structure of wild-type CYP199A4 bound to 4-(hydroxymethyl)benzoic acid Deposited 2024-01-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | E5X 4-(hydroxymethyl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.53 Å R-free 0.168 |
| 9DOE The high-resolution crystal structure of WT CYP199A4 bound to 4-methoxybenzoic acid at 100 K Deposited 2024-09-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
|
Resolution 1.26 Å R-free 0.177 |
| 9DWR The crystal structure of F182AQE CYP199A4 bound to 4-methoxybenzoic acid Deposited 2024-10-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：F182A, D251Q, T252E | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
|
Resolution 1.80 Å R-free 0.216 |
| 9DX8 The crystal structure of F182AQE CYP199A4 bound to 4-vinylbenzoic acid Deposited 2024-10-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：F182A, D251Q, T252E | MW7 4-ethenylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
|
Resolution 1.68 Å R-free 0.169 |
| 9DX9 The crystal structure of F182AQE CYP199A4 bound to 4-t-butylbenzoic acid Deposited 2024-10-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：F182A, D251Q, T252E | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 5R0 4-~{tert}-butylbenzoic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
|
Resolution 1.52 Å R-free 0.166 |
| 9DXW The crystal structure of F182A CYP199A4 bound to 4-t-butylbenzoic acid Deposited 2024-10-11 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：F182A | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 5R0 4-~{tert}-butylbenzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
|
Resolution 2.05 Å R-free 0.235 |
| 9DY5 The crystal structure of F182A CYP199A4 bound to 4-methylthiobenzoic acid Deposited 2024-10-13 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：F182A | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 4MI 4-methylsulfanylbenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
|
Resolution 2.50 Å R-free 0.281 |
| 9DY9 The crystal structure of F182A CYP199A4 bound to 4-methoxybenzoic acid Deposited 2024-10-13 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：F182A | ANN 4-METHOXYBENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
|
Resolution 1.67 Å R-free 0.192 |
| 9DYC The crystal structure of F182A CYP199A4 bound to 4-ethylbenzoic acid Deposited 2024-10-13 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：F182A | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EGM 4-ethylbenzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
|
Resolution 2.20 Å R-free 0.230 |
| 9DZR The crystal structure of F182AQE CYP199A4 bound to 4-methylthiobenzoic acid Deposited 2024-10-16 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Mutation：F182A, D251Q, T252E | 4MI 4-methylsulfanylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
|
Resolution 1.73 Å R-free 0.234 |
| 9DZR The crystal structure of F182AQE CYP199A4 bound to 4-methylthiobenzoic acid Deposited 2024-10-16 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–410（410 aa）
|
Mutation：F182A, D251Q, T252E | 4MI 4-methylsulfanylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
|
Resolution 1.73 Å R-free 0.234 |
| 9MIM The 100-K crystal structure of CYP199A4 bound to 3-methylaminobenzoic acid (dataset 1, increasing temperature series) Deposited 2024-12-13 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | OW4 3-(methylamino)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.37 Å R-free 0.167 |
| 9MIO The 150-K crystal structure of CYP199A4 bound to 3-methylaminobenzoic acid (dataset 2, increasing temperature series) Deposited 2024-12-13 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | OW4 3-(methylamino)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.40 Å R-free 0.183 |
| 9MJE The 200-K crystal structure of CYP199A4 bound to 3-methylaminobenzoic acid (dataset 3, increasing temperature series) Deposited 2024-12-14 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | OW4 3-(methylamino)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.95 Å R-free 0.190 |
| 9MJF The 150-K crystal structure of CYP199A4 bound to 4-methoxybenzoic acid (dataset 2, increasing temperature series) Deposited 2024-12-15 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | ANN 4-METHOXYBENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.50 Å R-free 0.199 |
| 9MJJ The 200-K crystal structure of CYP199A4 bound to 4-methoxybenzoic acid (dataset 3, increasing temperature series) Deposited 2024-12-15 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | ANN 4-METHOXYBENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.39 Å R-free 0.178 |
| 9MJK The 300-K crystal structure of CYP199A4 bound to 4-methoxybenzoic acid (dataset 4, increasing temperature series) Deposited 2024-12-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 2.50 Å R-free 0.250 |
| 9PLS The 200-K crystal structure of CYP199A4 bound to 3-methylaminobenzoic acid (dataset 1; decreasing temperature series) Deposited 2025-07-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | OW4 3-(methylamino)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.76 Å R-free 0.199 |
| 9PMA The 150-K crystal structure of CYP199A4 bound to 3-methylaminobenzoic acid (dataset 2; decreasing temperature series) Deposited 2025-07-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | OW4 3-(methylamino)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.75 Å R-free 0.195 |
| 9PMC The 100-K crystal structure of CYP199A4 bound to 3-methylaminobenzoic acid (dataset 3; decreasing temperature series) Deposited 2025-07-17 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | OW4 3-(methylamino)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.51 Å R-free 0.206 |
| 9ZEG The 100-K crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid (dataset 1; increasing temperature series) Deposited 2025-11-29 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 JO4 4-phenoxybenzoic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.53 Å R-free 0.200 |
| 9ZEH The 150-K crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid (dataset 2; increasing temperature series) Deposited 2025-11-29 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | JO4 4-phenoxybenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.51 Å R-free 0.184 |
| 9ZEI The 200-K crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid (dataset 3; increasing temperature series) Deposited 2025-11-30 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–410（410 aa）
|
Not recorded | JO4 4-phenoxybenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
|
Resolution 1.74 Å R-free 0.199 |
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View Construct and Data Evidence
| UniProt name | Q2IU02_RHOP2 |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–410； UniProt 1–410 Author chain B； PDBConstruct 1–410； UniProt 1–410 Author chain C； PDBConstruct 1–410； UniProt 1–410 Author chain D； PDBConstruct 1–410； UniProt 1–410 |
