Structure of PDB 2avf Chain C Binding Site BS01

Receptor Information
>2avf Chain C (length=316) Species: 223 (Achromobacter cycloclastes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STLPRVKVDLVKPPFVHAHDQVAKTGPRVVEFTMTIEEKKLVIDREGTEI
HAMTFNGSVPGPLMVVHENDYVELRLINPDTNTLLHNIDFHAATGALGGG
ALTQVNPGEETTLRFKATKPGVFVYHCAPEGMVPWHVTSGMNGAIMVLPR
DGLKDEKGQPLTYDKIYYVGEQDFYVPKDEAGNYKKYETPGEAYEDAVKA
MRTLTPTHIVFNGAVGALTGDHALTAAVGERVLVVHSQANRDTRPHLIGG
HGDYVWATGKFRNPPDLDQETWLIPGGTAGAAFYTFRQPGVYAYVNHNLI
EAFELGAAGHFKVTGE
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 chain2avf Chain C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2avf Crystal structure of C-terminal desundecapeptide nitrite reductase from Achromobacter cycloclastes
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H100 H135
Binding residue
(residue number reindexed from 1)		H91 H126
Annotation score1
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) H86 D89 H91 H126 C127 H136 M141 H246 E270 T271 H297
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:2avf, PDBe:2avf, PDBj:2avf
PDBsum2avf
PubMed16293231
UniProtP25006|NIR_ACHCY Copper-containing nitrite reductase (Gene Name=nirK)

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