Structure of PDB 1atj Chain C Binding Site BS03
Receptor Information
>1atj Chain C (length=306) Species:
3704
(Armoracia rusticana) [
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QLTPTFYDNSCPNVSNIVRDTIVNELRSDPRIAASILRLHFHDCFVNGCD
ASILLDNTTSFRTEKDAFGNANSARGFPVIDRMKAAVESACPRTVSCADL
LTIAAQQSVTLAGGPSWRVPLGRRDSLQAFLDLANANLPAPFFTLPQLKD
SFRNVGLNRSSDLVALSGGHTFGKNQCRFIMDRLYNFSNTGLPDPTLNTT
YLQTLRGLCPLNGNLSALVDFDLRTPTIFDNKYYVNLEEQKGLIQSDQEL
FSSPNATDTIPLVRSFANSTQTFFNAFVEAMDRMGNITPLTGTQGQIRLN
CRVVNS
Ligand information
Ligand ID
HEM
InChI
InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKey
KABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385
CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01
C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
Formula
C34 H32 Fe N4 O4
Name
PROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBank
DB18267
ZINC
PDB chain
1atj Chain C Residue 350 [
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Receptor-Ligand Complex Structure
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PDB
1atj
Crystal structure of horseradish peroxidase C at 2.15 A resolution.
Resolution
2.15 Å
Binding residue
(original residue number in PDB)
R31 A34 S35 R38 F41 S73 A140 P141 L166 H170 G173 K174 N175 Q176 F179 F221
Binding residue
(residue number reindexed from 1)
R31 A34 S35 R38 F41 S73 A140 P141 L166 H170 G173 K174 N175 Q176 F179 F221
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
R38 H42 N70 H170
Catalytic site (residue number reindexed from 1)
R38 H42 N70 H170
Enzyme Commision number
1.11.1.7
: peroxidase.
Gene Ontology
Molecular Function
GO:0004601
peroxidase activity
GO:0020037
heme binding
GO:0046872
metal ion binding
GO:0140825
lactoperoxidase activity
Biological Process
GO:0006979
response to oxidative stress
GO:0042744
hydrogen peroxide catabolic process
GO:0098869
cellular oxidant detoxification
Cellular Component
GO:0005576
extracellular region
GO:0005773
vacuole
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1atj
,
PDBe:1atj
,
PDBj:1atj
PDBsum
1atj
PubMed
9406554
UniProt
P00433
|PER1A_ARMRU Peroxidase C1A (Gene Name=PRXC1A)
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