Structure of PDB 7f6q Chain A Binding Site BS02

Receptor Information
>7f6q Chain A (length=338) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQSRPASDPQVVEAARKEGRLIIYSSTDQSSAQALLDDFRKLYPFIQIEY
NDLGTQAIYDRFVSETAAGASSADLLWSAAMELQVKLASEGYALPYDSPE
AKNWPANARLGNLAYSTTLEPAVVVYNKRFLKPEEVPTTREGLARLLQEP
RMRGRVATWDPERSAVGFTILKADYDRFPAFQELARAFGKAQAALYSSTG
AAFEKVISGEHYLAYGFFGSYALLRQRTVKDLGIAYLTDGTVAIQRVAFI
NKRAAHPNAAKLFLDYLLSLRGQNLMAYTALIFARRETVVGEATPQALYK
AVGGKDKVYAIPVSTEILKNLDPAERMRFLTFWRQAVR
Ligand information
Ligand IDPDO
InChIInChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKeyYPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CO)CO
ACDLabs 11.02
CACTVS 3.352		OCCCO
FormulaC3 H8 O2
Name1,3-PROPANDIOL
ChEMBLCHEMBL379652
DrugBankDB02774
ZINCZINC000001529437
PDB chain7f6q Chain A Residue 413 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7f6q Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		A70 S71
Binding residue
(residue number reindexed from 1)		A70 S71
Annotation score1
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:7f6q, PDBe:7f6q, PDBj:7f6q
PDBsum7f6q
PubMed34866608
UniProtQ53VZ2

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