Structure of PDB 9f8x Chain D Binding Site BS03

Receptor Information
>9f8x Chain D (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
LDNSYTMFTAIDAETMDVAWQVIVDGNLDNTDADYTGKYAASTCYNSERA
VDLAGTMRNDRDWVVVFNVERIAAAVKAGNFKTIGDSKVPVVDGRGESEF
TRYIPVPKNPHGLNTSPDGKYFIANGKLSPTVSVIAIDKLDDLFEDKIEL
RDTIVAEPELGLGPLHTTFDGRGNAYTTLFIDSQVCKWNIADAIKHYNGD
RVNYIRQKLDVQYQPGHNHASLTESRDADGKWLVVLSKFSKDRFLPVGPL
HPENDQLIDISGEEMKLVHDGPTYAEPHDCILVRRDQIKTKKIYERNDPY
FASCRAQAEKDGVTLESDNKVIRDGNKVRVYMTSVAPQYGMTEFKVKEGD
EVTVYITNLDMVEDVTHGFCMVNHGVSMEISPQQTASVTFTAGKPGVYWY
YCNWFCHALHMEMGGRMLVEKA
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 chain9f8x Chain D Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9f8x Revisiting the metal sites of nitrous oxide reductase in a low-dose structure from Marinobacter nauticus.
Resolution1.498 Å
Binding residue
(original residue number in PDB)		Y257 E260 T268 D274 N321
Binding residue
(residue number reindexed from 1)		Y195 E198 T206 D212 N259
Annotation score1
Gene Ontology
Molecular Function
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:0019333 denitrification pathway
GO:1902600 proton transmembrane transport
Cellular Component
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:9f8x, PDBe:9f8x, PDBj:9f8x
PDBsum9f8x
PubMed38720157
UniProtA0A368XMX8

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