Structure of PDB 7aq0 Chain B Binding Site BS01

Receptor Information
>7aq0 Chain B (length=586) 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
KIWDRNDPFFAPTVEMAKKDGINLDTDNKVIRDGNKVRVYMTAMAPAFGV
QEFTVKQGDEVTVTITNIAQIEDVSHGFVVVNHGVSMEISPQQTSSITFV
ADKPGLHWYYCSWFCHALHMEMVGRMMVEPAWSHPQ
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 chain7aq0 Chain B Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7aq0 Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
Resolution1.584 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:0004129 cytochrome-c oxidase activity
GO:0005507 copper ion binding
GO:0005509 calcium ion binding
GO:0050304 nitrous-oxide reductase activity
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:7aq0, PDBe:7aq0, PDBj:7aq0
PDBsum7aq0
PubMed33377777
UniProtP19573|NOSZ_STUST Nitrous-oxide reductase (Gene Name=nosZ)

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