Structure of PDB 1wzf Chain B Binding Site BS01

Receptor Information
>1wzf Chain B (length=207) Species: 1717 (Corynebacterium diphtheriae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLAVELKQSTAQAHEKAEHSTFMSDLLKGRLGVAEFTRLQEQAWLFYTAL
EQAVDAVRASGFAESLLDPALNRAEVLARDLDKLNGSSEWRSRITASPAV
IDYVNRLEEIRDNVDGPALVAHHYVRYLGDLSGGQVIARMMQRHYGVDPE
ALGFYHFEGIAKLKVYKDEYREKLNNLELSDEQREHLLKEATDAFVFNHQ
VFADLGK
Ligand information
Ligand IDYOL
InChIInChI=1S/C21H16N2O4.Fe/c24-19-7-3-1-5-15(19)12-22-17-10-9-14(21(26)27)11-18(17)23-13-16-6-2-4-8-20(16)25;/h1-13,24-25H,(H,26,27);/q;+4/p-2/b22-12+,23-13+;
InChIKeyAYPNHSRYHHHKFU-HPUGBGFMSA-L
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)c1ccc2c(c1)[N+]3=Cc4ccccc4O[Fe]35Oc6ccccc6C=[N+]25
ACDLabs 10.04O=C(O)c6ccc1c([N+]4=Cc5ccccc5O[Fe]24Oc3c(C=[N+]12)cccc3)c6
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe]35O2)C(=O)O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe@@]35O2)C(=O)O
FormulaC21 H14 Fe N2 O4
Name[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON;
SALOPHEN-10-CARBOXYLATE IRON CHELATE
ChEMBL
DrugBankDB04810
ZINC
PDB chain1wzf Chain B Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1wzf Design of metal cofactors activated by a protein-protein electron transfer system.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		H20 E24 Y130 V131 G135 S138 G139 R177 F201 N204 F208
Binding residue
(residue number reindexed from 1)		H14 E18 Y124 V125 G129 S132 G133 R171 F195 N198 F202
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H25 Y53 V131 R132 G135 D136 G140
Catalytic site (residue number reindexed from 1) H19 Y47 V125 R126 G129 D130 G134
Enzyme Commision number 1.14.14.18: heme oxygenase (biliverdin-producing).
Gene Ontology
Molecular Function
GO:0004392 heme oxygenase (decyclizing) activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006788 heme oxidation
GO:0006979 response to oxidative stress
GO:0042167 heme catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1wzf, PDBe:1wzf, PDBj:1wzf
PDBsum1wzf
PubMed16769893
UniProtP71119|HMUO_CORDI Heme oxygenase (Gene Name=hmuO)

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