Structure of PDB 7rac Chain F Binding Site BS03

Receptor Information
>7rac Chain F (length=299) Species: 186192 (Marinithermus hydrothermalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFDPYAFLTHWETGEVSTLPSGQTLREFNIVAVDKEIEIAPGVYFPAWTY
NGQVPGPTLRVTEGDRVRVHFHNAGSHPHTIHFHGIHPASMDGVPGTGPG
MIYPGESFTYEFDAYPFGCHLYHCHAIPLKRHIHKGLYGAFIIDPDPERH
PEYQAAARARLLGTPENQAWQEFVMVMNGFDTNFDEENEVYAVNTVAHAY
MKRPIRIERDRPVRIYLINATEFDPINSFHLHANFFDYYDHGTTLTPTLK
TVDTIMQCQGQRGILEFSFNGFEPGLYMFHAHQSEFAELGWMGNFEVIE
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 chain7rac Chain F Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7rac Crystal structures of a dodecameric multicopper oxidase from Marinithermus hydrothermalis.
Resolution2.36 Å
Binding residue
(original residue number in PDB)		D241 N243 D245 E247 E249
Binding residue
(residue number reindexed from 1)		D181 N183 D185 E187 E189
Annotation score1
Enzymatic activity
Enzyme Commision number 1.7.2.1: nitrite reductase (NO-forming).
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050421 nitrite reductase (NO-forming) activity

View graph for
Molecular Function
External links
PDB RCSB:7rac, PDBe:7rac, PDBj:7rac
PDBsum7rac
PubMed34605435
UniProtF2NNS0

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