Structure of PDB 7s2k Chain A Binding Site BS02

Receptor Information
>7s2k Chain A (length=268) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLIIFGIVNITSDSFSDGGRYLAPDAAIAQARKLMAEGADVIDLGPASSN
PDAAPVSSDTEIARIAPVLDALKADGIPVSLDSYQPATQAYALSRGVAYL
NDIRGFPDAAFYPQLAKSSAKLVVMHSVQDGQADRREAPAGDIMDHIAAF
FDARIAALTGAGIKRNRLVLDPGMGFFLGAAPETSLSVLARFDELRLRFD
LPVLLSVSRKSFLRALTGRGPGDVGAATLAAELAAAAGGADFIRTHEPRP
LRDGLAVLAALKETARIR
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain7s2k Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7s2k Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		N12 S17 F18 S51 S52 N53 R247 H249
Binding residue
(residue number reindexed from 1)		N9 S14 F15 S48 S49 N50 R244 H246
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.15: dihydropteroate synthase.
Gene Ontology
Molecular Function
GO:0004156 dihydropteroate synthase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0009396 folic acid-containing compound biosynthetic process
GO:0042558 pteridine-containing compound metabolic process
GO:0044237 cellular metabolic process
GO:0046654 tetrahydrofolate biosynthetic process
GO:0046656 folic acid biosynthetic process
GO:0046677 response to antibiotic
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7s2k, PDBe:7s2k, PDBj:7s2k
PDBsum7s2k
PubMed37419898
UniProtP0AC11|DHP2_ECOLX Dihydropteroate synthase type-2 (Gene Name=sulII)

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