Structure of PDB 7aq6 Chain A Binding Site BS01

Receptor Information
>7aq6 Chain A (length=586) Species: 316 (Stutzerimonas stutzeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKESKQKIHVGPGELDDYYGFWSGGHQGEVRVLGVPSMRELMRIPVFNVD
SATGWGLTNESRHIMGDSAKFLNGDCHHPHISMTDGKYDGKYLFINDKAN
SRVARIRLDIMKCDKMITVPNVQAIHGLRLQKVPHTKYVFANAEFIIPHP
NDGKVFDLQDENSYTMYNAIDAETMEMAFQVIVDGNLDNTDADYTGRFAA
ATCYNSEKAFDLGGMMRNERDWVVVFDIHAVEAAVKAGDFITLGDSKTPV
LDGRKKDGKDSKFTRYVPVPKNPHGCNTSSDGKYFIAAGKLSPTCSMIAI
DKLPDLFAGKLADPRDVIVGEPELGLGPLHTTFDGRGNAYTTLFIDSQVV
KWNMEEAVRAYKGEKVNYIKQKLDVHYQPGHLHASLCETNEADGKWLVAL
SKFSKDRFLPVGPLHPENDQLIDISGDEMKLVHDGPTFAEPHDCIMARRD
QIKTKKIWDRNDPFFAPTVEMAKKDGINLDTDNKVIRDGNKVRVYMTSMA
PAFGVQEFTVKQGDEVTVTITNIDQIEDVSFGFVVVNHGVSMEISPQQTS
SITFVADKPGLHWYYCSWFCHALHMEMVGRMMVEPA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7aq6 Chain A Residue 703 [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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PDB7aq6 Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
Resolution1.514 Å
Binding residue
(original residue number in PDB)		Y256 E259 M267 D273 N324
Binding residue
(residue number reindexed from 1)		Y204 E207 M215 D221 N272
Annotation score1
Enzymatic activity
Enzyme Commision number 1.7.2.4: nitrous-oxide reductase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0005509 calcium ion binding
GO:0050304 nitrous-oxide reductase activity

View graph for
Molecular Function
External links
PDB RCSB:7aq6, PDBe:7aq6, PDBj:7aq6
PDBsum7aq6
PubMed33377777
UniProtP19573|NOSZ_STUST Nitrous-oxide reductase (Gene Name=nosZ)

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