Structure of PDB 3x1g Chain A Binding Site BS04

Receptor Information
>3x1g Chain A (length=296) Species: 420246 (Geobacillus thermodenitrificans NG80-2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IAAHKGVNQAPVPLKMERVGPHDVHIEMTAQITDIEIDKGKIYKAWTFNG
QAPGPLVVVNEGDTIHFTLKNMDPVVPHSMDFHAVHASPSKDFIDVMPNK
SGTFTYPANKPGVFMYHCGTKPVLQHIANGMHGVIIVKPKNGYPTDKEVD
REYVLIQNEWYKYNDMNDFQNGVPSYVVFSSKALKPGDPNTNGDTFTLKE
KPLLAKVGEKIRLYINNVGPNEVSSFHVVGTVFDDVYLDGNPNNHLQGMQ
TVMLPASGGAVVEFTVTRPGTYPIVTMQFNHAQKGAVAMLKVTETG
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain3x1g Chain A Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3x1g Structural evidence of the flexibility of the CuM site
Resolution1.3 Å
Binding residue
(original residue number in PDB)		E239 H298
Binding residue
(residue number reindexed from 1)		E222 H281
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H95 D98 H100 H134 C135 H143 M148 H244 Q267 T268 M294
Catalytic site (residue number reindexed from 1) H78 D81 H83 H117 C118 H126 M131 H227 Q250 T251 M277
Enzyme Commision number 1.7.2.1: nitrite reductase (NO-forming).
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0050421 nitrite reductase (NO-forming) activity

View graph for
Molecular Function
External links
PDB RCSB:3x1g, PDBe:3x1g, PDBj:3x1g
PDBsum3x1g
PubMed
UniProtA4IL26

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