Structure of PDB 2bwd Chain A Binding Site BS03

Receptor Information
>2bwd Chain A (length=334) Species: 223 (Achromobacter cycloclastes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDISTLPRVKVDLVKPPFVHAHDQVAKTGPRVVEFTMTIEEKKLVIDREG
TEIHAMTFNGSVPGPLMVVHENDYVELRLINPDTNTLLHNIDFHAATGAL
GGGALTQVNPGEETTLRFKATKPGVFVYHCAPEGMVPWHVTSGMNGAIMV
LPRDGLKDEKGQPLTYDKIYYVGEQDFYVPKDEAGNYKKYETPGEAYEDA
VKAMRTLTPTHIVFNGAVGALTGDHALTAAVGERVLVVHSQANRDTRPHL
IGGHGDYVWATGKFRNPPDLDQETWLIPGGTAGAAFYTFRQPGVYAYVNH
NLIEAFELGAAGHFKVTGEWNDDLMTSVVKPASM
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 chain2bwd Chain A Residue 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bwd Atomic Resolution Structures of Resting-State, Substrate- and Product-Complexed Cu-Nitrite Reductase Provide Insight Into Catalytic Mechanism
Resolution1.15 Å
Binding residue
(original residue number in PDB)		D98 H100 H135
Binding residue
(residue number reindexed from 1)		D92 H94 H129
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H95 D98 H100 H135 C136 H145 M150 H255 E279 T280 H306
Catalytic site (residue number reindexed from 1) H89 D92 H94 H129 C130 H139 M144 H249 E273 T274 H300
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:0046872 metal ion binding
GO:0050421 nitrite reductase (NO-forming) activity
Biological Process
GO:0019333 denitrification pathway
GO:0042128 nitrate assimilation
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2bwd, PDBe:2bwd, PDBj:2bwd
PDBsum2bwd
PubMed16093314
UniProtP25006|NIR_ACHCY Copper-containing nitrite reductase (Gene Name=nirK)

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