Structure of PDB 7f6s Chain A Binding Site BS01

Receptor Information
>7f6s Chain A (length=339) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQQSRPASDPQVVEAARKEGRLIIYSSTDQSSAQALLDDFRKLYPFIQIE
YNDLGTQAIYDRFVSETAAGASSADLLWSSAMELQVKLASEGYALPYDSP
EAKNWPANARLGNLAYSTTLEPAVVVYNKRFLKPEEVPTTREGLARLLQE
PRMRGRVATWDPERSAVGFTILKADYDRFPAFQELARAFGKAQAALYSSA
GAAFEKVISGEHYLAYGFFGSYALLRQRTVKDLGIAYLTDGTVAIQRVAF
INKRAAHPNAAKLFLDYLLSLRGQNLMAYTALIFARRETVVGEATPQALY
KAVGGKDKVYAIPVSTEILKNLDPAERMRFLTFWRQAVR
Ligand information
Ligand IDGOA
InChIInChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
InChIKeyAEMRFAOFKBGASW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CO
OpenEye OEToolkits 1.7.0C(C(=O)O)O
CACTVS 3.370OCC(O)=O
FormulaC2 H4 O3
NameGLYCOLIC ACID;
HYDROXYACETIC ACID;
HYDROXYETHANOIC ACID
ChEMBLCHEMBL252557
DrugBankDB03085
ZINCZINC000004658557
PDB chain7f6s Chain A Residue 409 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7f6s Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		N274 V289 V290
Binding residue
(residue number reindexed from 1)		N275 V290 V291
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:7f6s, PDBe:7f6s, PDBj:7f6s
PDBsum7f6s
PubMed34866608
UniProtQ53VZ2

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