Structure of PDB 7c8z Chain A Binding Site BS02

Receptor Information
>7c8z Chain A (length=383) Species: 54061 (Ralstonia sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVFPQDPKWPGEGSSRVPFWAYTREDLYKRELERLFYANHWCYVGLEAEI
PNPGDFKRTVIGERSVIMVRDPDGGINVVENVCAHRGMRFCRERHGNAKD
FFCPYHQWNYSLKGDLQGVPFRRGVKQDGKVNGGMPKDFKLEEHGLTKLK
VAARGGAVFASFDHDVEPFEEFLGPTILHYFDRVFNGRKLKILGYRRQRI
PGNWKLMQENIKDPYHPGLLHTWFKSELKMDAKFRHAAMISTVNDPRLLD
IVPEPWWGGPTAVMTTIFPSVIIQQQVNSVSTRHIQPNGHGSFDFVWTHF
GFEDDNEEWTQRRLIQANLFGPAGFVSADDGEVIEWSQEGFEQKPTHRTV
IEMGGHEIGDTDHMVTETLIRGMYDYWRKVMGE
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain7c8z Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7c8z Structural and Biochemical Analysis Reveals a Distinct Catalytic Site of Salicylate 5-Monooxygenase NagGH from Rieske Dioxygenases.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H224 H229 D370
Binding residue
(residue number reindexed from 1)		H216 H221 D330
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H114 D221 H224 H229 D370
Catalytic site (residue number reindexed from 1) H106 D213 H216 H221 D330
Enzyme Commision number 1.14.13.172: salicylate 5-hydroxylase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0034785 salicylate 5-hydroxylase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0009056 catabolic process
GO:0044237 cellular metabolic process
GO:0046244 salicylic acid catabolic process
Cellular Component
GO:1902494 catalytic complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7c8z, PDBe:7c8z, PDBj:7c8z
PDBsum7c8z
PubMed33452034
UniProtO52379|NAGG_RALSP Salicylate 5-hydroxylase, large oxygenase component (Gene Name=nagG)

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