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4atj

DISTAL HEME POCKET MUTANT (H42E) OF RECOMBINANT HORSERADISH PEROXIDASE IN COMPLEX WITH BENZHYDROXAMIC ACID

Method: X-RAY DIFFRACTION Dmax: 83.8 Å Quality: EXCELLENT
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1. Protein Identity and Related Structures Protein Identity & Related Structures

PROTEIN (PEROXIDASE C1A)

Armoracia rusticana

UniProt P00433

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 30–338 Mutation：H42E CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BHO BENZHYDROXAMIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.5；pH 6.5 Resolution 2.50 Å R-free 0.194
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain B； UniProt 30–338 Mutation：H42E CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BHO BENZHYDROXAMIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.5；pH 6.5 Resolution 2.50 Å R-free 0.194

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 4ATJ Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1ATJ RECOMBINANT HORSERADISH PEROXIDASE C1A Deposited 1997-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 31–336（306 aa）
Chain B 31–336（306 aa）
Chain C 31–336（306 aa）
Chain D 31–336（306 aa）
Chain E 31–336（306 aa）
Chain F 31–336（306 aa）
Not recorded CA CALCIUM ION × 12 HEM PROTOPORPHYRIN IX CONTAINING FE × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；16% (W/V) PEG 4000, 0.2 M ZINC ACETATE AND 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 2.15 Å R-free 0.242
1GW2 RECOMBINANT HORSERADISH PEROXIDASE C1A THR171SER IN COMPLEX WITH FERULIC ACID Deposited 2002-03-03 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 31–338（308 aa）
Mutation：YES HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 2 FER 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；16% PEG 4000, 0.2 M CALCIUM ACETATE,0.1 M CACODYLATE BUFFER PH 6.5
Resolution 2.15 Å R-free 0.211
1GWO Recombinant horseradish peroxidase C1A ALA170GLN Deposited 2002-03-20 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 31–338（308 aa）
Mutation：YES HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；16% PEG 4000, 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER PH 6.5
Resolution 2.07 Å R-free 0.221
1GWT RECOMBINANT HORSERADISH PEROXIDASE C1A PHE221MET Deposited 2002-03-25 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 31–338（308 aa）
Mutation：YES HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 2 NA SODIUM ION × 1 FER 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；16% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE AND 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.70 Å R-free 0.198
1GWU RECOMBINANT HORSERADISH PEROXIDASE C1A ALA140GLY Deposited 2002-03-25 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 31–338（308 aa）
Mutation：YES NA SODIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 2 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；16%(W/V)PEG4000,0.2M CALCIUM ACETATE,0.1M CACODYLATE PH6.5, pH 6.50
Resolution 1.31 Å R-free 0.193
1GX2 Recombinant horseradish peroxidase Phe209Ser complex with benzhydroxamic acid Deposited 2002-03-26 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 31–338（308 aa）
Mutation：YES HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BHO BENZHYDROXAMIC ACID × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.50
Resolution 2.20 Å R-free 0.197
1GX2 Recombinant horseradish peroxidase Phe209Ser complex with benzhydroxamic acid Deposited 2002-03-26 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 31–338（308 aa）
Mutation：YES HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BHO BENZHYDROXAMIC ACID × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.50
Resolution 2.20 Å R-free 0.197
1H55 STRUCTURE OF HORSERADISH PEROXIDASE C1A COMPOUND II Deposited 2001-05-18 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2 O OXYGEN ATOM × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.61 Å R-free 0.210
1H57 Structure of horseradish peroxidase C1A compound III Deposited 2001-05-20 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2 OXY OXYGEN MOLECULE × 1 PEO HYDROGEN PEROXIDE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.60 Å R-free 0.196
1H58 STRUCTURE OF FERROUS HORSERADISH PEROXIDASE C1A Deposited 2001-05-20 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER, PH 6.5 THE FERROUS STATE WAS FORMED BY SOAKING THE CRYSTALS FOR 30 MINUTES IN A RESERVOIR SOLUTION SUPPLEMENTED WITH 100 MM SODIUM DITHIONITE AND PEG400 BEFORE FLASH FREEZING
Resolution 1.70 Å R-free 0.200
1H5A STRUCTURE OF FERRIC HORSERADISH PEROXIDASE C1A IN COMPLEX WITH ACETATE Deposited 2001-05-21 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 2 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.60 Å R-free 0.202
1H5C X-ray induced reduction of horseradish peroxidase C1A Compound III (100-200% dose) Deposited 2001-05-21 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.62 Å R-free 0.198
1H5D X-ray induced reduction of horseradish peroxidase C1A Compound III (0-11% dose) Deposited 2001-05-21 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.60 Å R-free 0.220
1H5E X-ray induced reduction of horseradish peroxidase C1A Compound III (11-22% dose) Deposited 2001-05-21 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.60 Å R-free 0.223
1H5F X-ray induced reduction of horseradish peroxidase C1A Compound III (22-33% dose) Deposited 2001-05-21 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2 PEO HYDROGEN PEROXIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.60 Å R-free 0.220
1H5G X-ray induced reduction of horseradish peroxidase C1A Compound III (33-44% dose) Deposited 2001-05-21 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2 PEO HYDROGEN PEROXIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.60 Å R-free 0.223
1H5H X-ray induced reduction of horseradish peroxidase C1A Compound III (44-56% dose) Deposited 2001-05-22 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2 PEO HYDROGEN PEROXIDE × 11 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.60 Å R-free 0.218
1H5I X-ray induced reduction of horseradish peroxidase C1A Compound III (56-67% dose) Deposited 2001-05-22 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2 PEO HYDROGEN PEROXIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE AND 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.60 Å R-free 0.216
1H5J X-ray induced reduction of horseradish peroxidase C1A Compound III (67-78% dose) Deposited 2001-05-22 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2 PEO HYDROGEN PEROXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.60 Å R-free 0.221
1H5K X-ray induced reduction of horseradish peroxidase C1A Compound III (78-89% dose) Deposited 2001-05-22 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2 PEO HYDROGEN PEROXIDE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.60 Å R-free 0.213
1H5L X-ray induced reduction of horseradish peroxidase C1A Compound III (89-100% dose) Deposited 2001-05-22 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2 PEO HYDROGEN PEROXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.60 Å R-free 0.219
1H5M X-ray induced reduction of horseradish peroxidase C1A Compound III (0-100% dose) Deposited 2001-05-22 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2 PEO HYDROGEN PEROXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.60 Å R-free 0.198
1HCH Structure of horseradish peroxidase C1A compound I Deposited 2001-05-04 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 31–336（306 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2 O OXYGEN ATOM × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE AND 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.57 Å R-free 0.203
1KZM Distal Heme Pocket Mutant (R38S/H42E) of Recombinant Horseradish Peroxidase C (HRP C). Deposited 2002-02-07 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 31–338（308 aa） Fragment：Horseradish Peroxidase C1A (HRP C)
Mutation：R38S/H42E CA CALCIUM ION × 2 CAC CACODYLATE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；283 K；PEG-8000, calcium acetate, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 283K
Resolution 2.00 Å R-free 0.203
1W4W Ferric horseradish peroxidase C1A in complex with formate Deposited 2004-08-03 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 31–353（323 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 2 FMT FORMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；20% PEG8000, 0.2M CA-ACETATE, 0.1 M NA-CACODYLATE PH 6.5, FERULIC ACID AS ADDITIVE STREAK SEEDING, HANGING DROP, 4DEGC
Resolution 1.55 Å R-free 0.215
1W4Y Ferrous horseradish peroxidase C1A in complex with carbon monoxide Deposited 2004-08-03 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 31–353（323 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 2 CMO CARBON MONOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；20% PEG8000, 0.2 M CA-ACETATE, 0.1 M NA-CACODYLATE PH 6.5, FERULIC ACID AS ADDITIVE, HANGING DROP, STREAK SEEDING, 4DEGC
Resolution 1.60 Å R-free 0.211
2ATJ RECOMBINANT HORSERADISH PEROXIDASE COMPLEX WITH BENZHYDROXAMIC ACID Deposited 1997-08-19 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 31–337（307 aa）
Not recorded CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BHO BENZHYDROXAMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.50
Resolution 2.00 Å R-free 0.198
2ATJ RECOMBINANT HORSERADISH PEROXIDASE COMPLEX WITH BENZHYDROXAMIC ACID Deposited 1997-08-19 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 31–337（307 aa）
Not recorded CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BHO BENZHYDROXAMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.50
Resolution 2.00 Å R-free 0.198
2YLJ Horse Radish Peroxidase, mutant S167Y Deposited 2011-06-02 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 31–336（306 aa） Fragment：RESIDUES 31-336
Mutation：YES HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7
Resolution 1.69 Å R-free 0.189
3ATJ HEME LIGAND MUTANT OF RECOMBINANT HORSERADISH PEROXIDASE IN COMPLEX WITH BENZHYDROXAMIC ACID Deposited 1998-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 31–338（308 aa）
Chain B 31–338（308 aa）
Mutation：F221M Mutation：F221M CA CALCIUM ION × 4 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 BHO BENZHYDROXAMIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.20 Å R-free 0.203
6ATJ RECOMBINANT HORSERADISH PEROXIDASE C COMPLEX WITH FERULIC ACID Deposited 1999-04-23 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 31–338（308 aa）
Not recorded CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 FER 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；16% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE AND 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 2.00 Å R-free 0.199
7ATJ RECOMBINANT HORSERADISH PEROXIDASE C1A COMPLEX WITH CYANIDE AND FERULIC ACID Deposited 1999-04-26 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 31–338（308 aa）
Not recorded CA CALCIUM ION × 2 CYN CYANIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 FER 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；16% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE AND 0.1 M CACODYLATE BUFFER, PH 6.5
Resolution 1.47 Å R-free 0.203
9H1M Recombinant ferric horseradish peroxidase C1A Deposited 2024-10-09 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 31–338（308 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 2 EDO 1,2-ETHANEDIOL × 5 2HP DIHYDROGENPHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277.15 K；25% (w/v) PEG 1500, 100 mM SPG (2:7:7, succinic acid:sodium hydrogen phosphate:glycine buffer pH 8.5
Resolution 1.63 Å R-free 0.189

31 other PDB entries and 33 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PER1A_ARMRU
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–309； UniProt 30–338 Author chain B； PDBConstruct 1–309； UniProt 30–338

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 4atj

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4atj
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4atj
Deposition date deposition_date1999-04-19
Structure title titleDISTAL HEME POCKET MUTANT (H42E) OF RECOMBINANT HORSERADISH PEROXIDASE IN COMPLEX WITH BENZHYDROXAMIC ACID
Keywords keywordsOXIDOREDUCTASE, PEROXIDASE, HEME ENZYME, MUTANT; OXIDOREDUCTASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier27.44 Å
Radius of gyration Rg (electron density) rg_electron26.56 Å
Forward intensity I(0) i082612800.00
Molecular weight molecular_weight69568.0 kDa
Excluded volume excluded_volume86387 ų
Envelope volume envelope_volume102310 ų
Hydration-shell volume shell_volume31868 ų
Envelope diameter envelope_diameter87.2 Å
Shell Rg shell_rg34.08 Å
Envelope Rg envelope_rg26.31 Å
Shape Rg shape_rg26.56 Å
Total Rg total_rg27.31 Å
Total atoms total_atoms4880
Residues n_residues618
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax83.8 Å
Rg (real space) rg_real27.37 Å
Rg uncertainty (real space) rg_real_error0.49 Å
I(0) (real space) i0_real8.2610e+07
I(0) uncertainty (real space) i0_real_error1.2380e+06
Rg (reciprocal space) rg_reciprocal27.39 Å
I(0) (reciprocal space) i0_reciprocal82610000.0000
Solution quality estimate total_estimate0.9104
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary30.3 Å
Skewness Skewness skewness0.240
Kurtosis Kurtosis kurtosis-0.572
Angular range angular_range— – 0.2900 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha22330000.0000
Real-space data points n_real_points59
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.966; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.935
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

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7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd4atja1
Class classa — All alpha proteins
Fold Fold folda.93 — Heme-dependent peroxidases
Superfamily Superfamily superfamilya.93.1 — Heme-dependent peroxidases
Family Family familya.93.1.1 — CCP-like
Domain ID domain_idd4atja2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd4atjb1
Class classa — All alpha proteins
Fold Fold folda.93 — Heme-dependent peroxidases
Superfamily Superfamily superfamilya.93.1 — Heme-dependent peroxidases
Family Family familya.93.1.1 — CCP-like
Domain ID domain_idd4atjb2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (4 domains)

Domain ID domain_id4atjA01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology520 — Peroxidase; domain 1
Homologous superfamily homologous superfamily10 —
Domain ID domain_id4atjA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology420 — Peroxidase; domain 2
Homologous superfamily homologous superfamily10 — Peroxidase, domain 2
Domain ID domain_id4atjB01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology520 — Peroxidase; domain 1
Homologous superfamily homologous superfamily10 —
Domain ID domain_id4atjB02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology420 — Peroxidase; domain 2
Homologous superfamily homologous superfamily10 — Peroxidase, domain 2
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8. Citations (3)

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9. Files and Curves (10)