Structure of PDB 1kbw Chain D Binding Site BS01

Receptor Information
>1kbw Chain D (length=302) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELPVIDAVTTHAPEVPPAIDRDYPAKVRVKMETVEKTMKMDDGVEYRYWT
FDGDVPGRMIRVREGDTVEVEFSNNPSSTVPHNVDFHAATGQGGGAAATF
TAPGRTSTFSFKALQPGLYIYHCAVAPVGMHIANGMYGLILVEPKEGLPK
VDKEFYIVQGDFYTKGKKGAQGLQPFDMDKAVAEQPEYVVFNGHVGALTG
DNALKAKAGETVRMYVGNGGPNLVSSFHVIGEIFDKVYVEGGKLINENVQ
STIVPAGGSAIVEFKVDIPGNYTLVDHSIFRAFNKGALGQLKVEGAENPE
IM
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 chain1kbw Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kbw Crystal structure of the soluble domain of the major anaerobically induced outer membrane protein (AniA) from pathogenic Neisseria: a new class of copper-containing nitrite reductases.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H94 C135 H143
Binding residue
(residue number reindexed from 1)		H82 C123 H131
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H94 D97 H99 H134 C135 H143 M148 H240 Q262 S263 H289
Catalytic site (residue number reindexed from 1) H82 D85 H87 H122 C123 H131 M136 H228 Q250 S251 H277
Enzyme Commision number 1.7.2.1: nitrite reductase (NO-forming).
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0050421 nitrite reductase (NO-forming) activity

View graph for
Molecular Function
External links
PDB RCSB:1kbw, PDBe:1kbw, PDBj:1kbw
PDBsum1kbw
PubMed11827480
UniProtQ02219|ANIA_NEIGO Copper-containing nitrite reductase (Gene Name=aniA)

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