Structure of PDB 7aqa Chain A Binding Site BS01

Receptor Information
>7aqa Chain A (length=585) Species: 316 (Stutzerimonas stutzeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KESKQKIHVGPGELDDYYGFWSGGHQGEVRVLGVPSMRELMRIPVFNVDS
ATGWGLTNESRHIMGDSAKFLNGDCHHPHISMTDGKYDGKYLFINDKANS
RVARIRLDIMKCDKMITVPNVQAIHGLRLQKVPHTKYVFANAEFIIPHPN
DGKVFDLQDENSYTMYNAIDAETMEMAFQVIVDGNLDNTDADYTGRFAAA
TCYNSEKAFDLGGMMRNERDWVVVFDIHAVEAAVKAGDFITLGDSKTPVL
DGRKKDGKDSKFTRYVPVPKNPHGCNTSSDGKYFIAAGKLSPTCSMIAID
KLPDLFAGKLADPRDVIVGEPELGLGPLATTFDGRGNAYTTLFIDSQVVK
WNMEEAVRAYKGEKVNYIKQKLDVHYQPGHLHASLCETNEADGKWLVALS
KFSKDRFLPVGPLHPENDQLIDISGDEMKLVHDGPTFAEPHDCIMARRDQ
IKTKKIWDRNDPFFAPTVEMAKKDGINLDTDNKVIRDGNKVRVYMTSMAP
AFGVQEFTVKQGDEVTVTITNIDQIEDVSHGFVVVNHGVSMEISPQQTSS
ITFVADKPGLHWYYCSWFCHALHMEMVGRMMVEPA
Ligand information
Ligand IDK7E
InChIInChI=1S/4Cu.H2S.S/h;;;;1H2;/q;;;+1;;/p-1
InChIKeyHNDPNHLKTCWFEP-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7S[Cu]S([Cu])([Cu])[Cu]
CACTVS 3.385S[Cu][S]([Cu])([Cu])[Cu]
FormulaCu4 H S2
Namesulfanyl-(tricuprio-$l^{4}-sulfanyl)copper
ChEMBL
DrugBank
ZINC
PDB chain7aqa Chain A Residue 701 [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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PDB7aqa A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase.
Resolution1.497 Å
Binding residue
(original residue number in PDB)		H129 H130 H178 H326 H433 K454 H494
Binding residue
(residue number reindexed from 1)		H76 H77 H125 H273 H380 K401 H441
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

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7aqa, PDBe:7aqa, PDBj:7aqa
PDBsum7aqa
PubMed34164092
UniProtP19573|NOSZ_STUST Nitrous-oxide reductase (Gene Name=nosZ)

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