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BioLiP

Structure of PDB 5akr Chain A Binding Site BS03

Receptor Information
>5akr Chain A (length=337) Species: 223 (Achromobacter cycloclastes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAPVDISTLPRVKVDLVKPPFVHAHDQVAKTGPRVVEFTMTIEEKKLVID
REGTEIHAMTFNGSVPGPLMVVHENDYVELRLINPDTNTLLHNIDFHAAT
GALGGGALTQVNPGEETTLRFKATKPGVFVYHCAPEGMVPWHVTSGMNGA
IMVLPRDGLKDEKGQPLTYDKIYYVGEQDFYVPKDEAGNYKKYETPGEAY
EDAVKAMRTLTPTHIVFNGAVGALTGDHALTAAVGERVLVVHSQANRDTR
PHLIGGHGDYVWATGKFRNPPDLDQETWLIPGGTAGAAFYTFRQPGVYAY
VNHNLIEAFELGAAGHFKVTGEWNDDLMTSVVKPASM
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 chain5akr Chain A Residue 508 [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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PDB5akr Sub-Atomic Resolution X-Ray Crystallography and Neutron Crystallography: Promise, Challenges and Potential.
Resolution0.87 Å
Binding residue
(original residue number in PDB)		D98 H100 H135
Binding residue
(residue number reindexed from 1)		D95 H97 H132
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) H92 D95 H97 H132 C133 H142 M147 H252 E276 T277 H303
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

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Molecular Function
External links
PDB RCSB:5akr, PDBe:5akr, PDBj:5akr
PDBsum5akr
PubMed26175905
UniProtP25006|NIR_ACHCY Copper-containing nitrite reductase (Gene Name=nirK)

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