Structure of PDB 7s2i Chain B Binding Site BS01

Receptor Information
>7s2i Chain B (length=263) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVTVFGILNLTEDSFFDESRRLDPAGAVTAAIEMLRVGSDVVDVGPAASH
PDARPVSPADEIRRIAPLLDALSDQMHRVSIDSFQPETQRYALKRGVGYL
NDIQGFPDPALYPDIAEADCRLVVMHSAQRGHLRPEDALDEIVRFFEARV
SALRRSGVAADRLILDPGMGFFLSPAPETSLHVLSNLQKLKSALGLPLLV
SVSRKSFLGATVGLPVKDLGPASLAAELHAIGNGADYVRTHAPGDLRSAI
TFSETLAKFRSRD
Ligand information
Ligand IDHHR
InChIInChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)
InChIKeyXGWIBNWDLMIPNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(nc2c(n1)N=C(NC2=O)N)CO
ACDLabs 10.04O=C1c2nc(cnc2N=C(N1)N)CO
CACTVS 3.341NC1=Nc2ncc(CO)nc2C(=O)N1
FormulaC7 H7 N5 O2
Name6-HYDROXYMETHYLPTERIN
ChEMBLCHEMBL101541
DrugBankDB03197
ZINCZINC000016051887
PDB chain7s2i Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7s2i Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Resolution2.32 Å
Binding residue
(original residue number in PDB)		N101 I103 M125 D173 F179 S208 K212 R246
Binding residue
(residue number reindexed from 1)		N101 I103 M125 D166 F172 S201 K205 R239
Annotation score1
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:7s2i, PDBe:7s2i, PDBj:7s2i
PDBsum7s2i
PubMed37419898
UniProtP0C002|DHP1_ECOLX Dihydropteroate synthase type-1 (Gene Name=sulI)

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