Structure of PDB 7f6r Chain A Binding Site BS02

Receptor Information
>7f6r 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
MRGRVATWDPERAAVGFTILKADYDRFPAFQELARAFGKAQAALYSSTGA
AFEKVISGEHYLAYGFFGSYALLRQRTVKDLGIAYLTDGTVAIQRVAFIN
KRAAHPNAAKLFLDYLLSLRGQNLMAYTALIFARRETVVGEATPQALYKA
VGGKDKVYAIPVSTEILKNLDPAERMRFLTFWRQAVR
Ligand information
Ligand IDSO3
InChIInChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
InChIKeyLSNNMFCWUKXFEE-UHFFFAOYSA-L
SMILES
SoftwareSMILES
CACTVS 3.341[O-][S]([O-])=O
OpenEye OEToolkits 1.5.0[O-]S(=O)[O-]
ACDLabs 10.04[O-]S([O-])=O
FormulaO3 S
NameSULFITE ION
ChEMBL
DrugBank
ZINC
PDB chain7f6r Chain A Residue 409 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7f6r Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		K128 Q226 G233 I234
Binding residue
(residue number reindexed from 1)		K127 Q225 G232 I233
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

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:7f6r, PDBe:7f6r, PDBj:7f6r
PDBsum7f6r
PubMed34866608
UniProtQ53VZ2

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