Structure of PDB 7aq2 Chain B Binding Site BS01

Receptor Information
>7aq2 Chain B (length=581) Species: 316 (Stutzerimonas stutzeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKIHVGPGELDDYYGFWSGGHQGEVRVLGVPSMRELMRIPVFNVDSATGW
GLTNESRHIMGDSAKFLNGDCHHPHISMTDGKYDGKYLFINDKANSRVAR
IRLDIMKCDKMITVPNVQAIHGLRLQKVPHTKYVFANAEFIIPHPNDGKV
FDLQDENSYTMYNAIDAETMEMAFQVIVDGNLDNTDADYTGRFAAATCYN
SEKAFDLGGMMRNERDWVVVFDIHAVEAAVKAGDFITLGDSKTPVLDGRK
KDGKDSKFTRYVPVPKNPHGCNTSSDGKYFIAAGKLSPTCSMIAIDKLPD
LFAGKLADPRDVIVGEPELGLGPLHTTFDGRGNAYTTLFIDSQVVKWNME
EAVRAYKGEKVNYIKQKLDVHYQPGHLHASLCETNEADGKWLVALSKFSK
DRFLPVGPLHPENDQLIDISGDEMKLVHDGPTFAEPHDCIMARRDQIKTK
KIWDRNDPFFAPTVEMAKKDGINLDTDNKVIRDGNKVRVYMTSMAPAFGV
QEFTVKQGDEVTVTITNIDQIEDVSAGFVVVNHGVSMEISPQQTSSITFV
ADKPGLHWYYCSWFEMVGRMMVEPAWSHPQF
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 chain7aq2 Chain B Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7aq2 Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
Resolution1.683 Å
Binding residue
(original residue number in PDB)		Y256 E259 M267 D273 N324
Binding residue
(residue number reindexed from 1)		Y199 E202 M210 D216 N267
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:7aq2, PDBe:7aq2, PDBj:7aq2
PDBsum7aq2
PubMed33377777
UniProtP19573|NOSZ_STUST Nitrous-oxide reductase (Gene Name=nosZ)

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