Structure of PDB 7wwo Chain A Binding Site BS02

Receptor Information
>7wwo Chain A (length=158) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYALAISSLGEFNSLTGGTSTDPVAEGNDYYYRFEIRAWEGSSGPQTNVT
LNVTRTLGNSTFAGSGTKGVDFEVELDPDGPFGPASYAPVLSADVQVLAW
GPTGVQLRYLPSLAPGATLRFSLRANAVNGTNTTVQADATSTEAPGPYTV
FETTTIIP
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 chain7wwo Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wwo Structure of the hypothetical protein TTHA1873 from Thermus thermophilus.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		D95 D97 G98 G101 A103
Binding residue
(residue number reindexed from 1)		D77 D79 G80 G83 A85
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7wwo, PDBe:7wwo, PDBj:7wwo
PDBsum7wwo
PubMed36048084
UniProtQ5SH57

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