Structure of PDB 1qni Chain B Binding Site BS01

Receptor Information
>1qni Chain B (length=572) Species: 2743 (Marinobacter nauticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHVAPGELDEYYGFWSGGHQGEVRVLGVPSMRELMRIPVFNVDSATGWGI
TNESKEILGGDQQYLNGDCHHPHISMTDGRYDGKYLFINDKANTRVARIR
LDIMKTDKITHIPNVQAIHGLRLQKVPKTNYVFCNAEFVIPQPNDGTDFS
LDNSYTMFTAIDAETMDVAWQVIVDGNLDNTDADYTGKYATSTCYNSERA
VDLAGTMRNDRDWVVVFNVERIAAAVKAGNFKTIGDSKVPVVDGRGESEF
TRYIPVPKNPHGLNTSPDGKYFIANGKLSPTVSVIAIDKLDDLFEDKIEL
RDTIVAEPELGLGPLHTTFDGRGNAYTTLFIDSQVCKWNIADAIKHYNGD
RVNYIRQKLDVQYQPGHNHASLTESRDADGKWLVVLSKFSKDRFLPVGPL
HPENDQLIDISGEEMKLVHDGPTYAEPHDCILVRRDQIKTKKIYERNDPY
FASCRAQAEKDGVTLESDNKVIRDGNKVRVYMTSVAPQYGMTDFKVKEGD
EVTVYITNLDMVEDVTHGFCMVNHGVSMEISPQQTASVTFTAGKPGVYWY
YCNWFCHALHMEMVGRMLVEAA
Ligand information
Ligand IDCUA
InChIInChI=1S/2Cu
InChIKeyALKZAGKDWUSJED-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cu][Cu]
FormulaCu2
NameDINUCLEAR COPPER ION
ChEMBL
DrugBank
ZINC
PDB chain1qni Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qni A novel type of catalytic copper cluster in nitrous oxide reductase.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H526 C561 W563 C565 H569 M572
Binding residue
(residue number reindexed from 1)		H517 C552 W554 C556 H560 M563
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V494 P496
Catalytic site (residue number reindexed from 1) V485 P487
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0005507 copper ion binding
GO:0005509 calcium ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050304 nitrous-oxide reductase activity
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0016020 membrane
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1qni, PDBe:1qni, PDBj:1qni
PDBsum1qni
PubMed10700275
UniProtQ7SIA3

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