Structure of PDB 7wwn Chain A Binding Site BS01

Receptor Information
>7wwn Chain A (length=159) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTAYALAISSLGEFNSLTGGTSTDPVAEGNDYYYRFEIRAWEGSSGPQTN
VTLNVTRTLGNSTFAGSGTKGVDFEVELDPDGPFGPASYAPVLSADVQVL
AWGPTGVQLRYLPSLAPGATLRFSLRANAVNTNTTVQADATSTEAPGPYT
VFETTTIIP
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 chain7wwn Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wwn Structure of the hypothetical protein TTHA1873 from Thermus thermophilus.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		D95 D97 G98 G101 A103
Binding residue
(residue number reindexed from 1)		D79 D81 G82 G85 A87
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:7wwn, PDBe:7wwn, PDBj:7wwn
PDBsum7wwn
PubMed36048084
UniProtQ5SH57

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