Structure of PDB 5of7 Chain A Binding Site BS03

Receptor Information
>5of7 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 chain5of7 Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5of7 Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
Resolution1.27 Å
Binding residue
(original residue number in PDB)		V68 P69 N151 G179 E180 Q181
Binding residue
(residue number reindexed from 1)		V62 P63 N145 G173 E174 Q175
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:5of7, PDBe:5of7, PDBj:5of7
PDBsum5of7
PubMed29755744
UniProtP25006|NIR_ACHCY Copper-containing nitrite reductase (Gene Name=nirK)

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