Structure of PDB 1kbv Chain E Binding Site BS01

Receptor Information
>1kbv Chain E (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 IDNO2
InChIInChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1
InChIKeyIOVCWXUNBOPUCH-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]N=O
OpenEye OEToolkits 1.5.0N(=O)[O-]
FormulaN O2
NameNITRITE ION
ChEMBL
DrugBankDB12529
ZINC
PDB chain1kbv Chain E Residue 2507 [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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PDB1kbv 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.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		H240 I242 H289
Binding residue
(residue number reindexed from 1)		H228 I230 H277
Annotation score5
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:1kbv, PDBe:1kbv, PDBj:1kbv
PDBsum1kbv
PubMed11827480
UniProtQ02219|ANIA_NEIGO Copper-containing nitrite reductase (Gene Name=aniA)

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