Structure of PDB 7f6f Chain A Binding Site BS01

Receptor Information
>7f6f Chain A (length=337) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSRPASDPQVVEAARKEGRLIIYSSTDQSSAQALLDDFRKLYPFIQIEYN
DLGTQAIYDRFVSETAAGASSADLLWSSAMELQVKLASEGYALPYDSPEA
KNWPANARLGNLAYSTTLEPAVVVYNKRFLKPEEVPTTREGLARLLQEPR
MRGRVATWDPERSAVGFTILKADYDRFPAFQELARAFGKAQAALYSSTGA
AFEKVISGEHYLAYGFFGSYALLRQRTVKDLGIAYLTDGTVAIQRVAFIN
KRAAHPNAAKLFLDYLLSLRGQNLMAYTALIFARRETVVGEATPQALYKA
VGGKDKVYAIPVSTEILKNLDPAERMRFLTFWRQAVR
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7f6f Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7f6f Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S26 D28
Binding residue
(residue number reindexed from 1)		S25 D27
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Cellular Component
External links
PDB RCSB:7f6f, PDBe:7f6f, PDBj:7f6f
PDBsum7f6f
PubMed34866608
UniProtQ53VZ2

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