Structure of PDB 7s2m Chain A Binding Site BS01

Receptor Information
>7s2m Chain A (length=258) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGMSKIFGIVNITTDSFSDGGLYLDTDKAIEHALHLVEDGADVIDLGAAS
SNPDTTEVGVVEEIKRLKPVIKALKEKGISISVDTFKPEVQSFCIEQKVD
FINDIQGFPYPEIYSGLAKSDCKLVLMHSVQRETNPEEVFTSMMEFFKER
IAALVEAGVKRERIILDPGMGFFLGSNPETSILVLKRFPEIQEAFNLQVM
IAVSRKSFLGKITGTDVKSRLAPTLAAEMYAYKKGADYLRTHDVKSLSDA
LKISKALG
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 chain7s2m Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7s2m Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Resolution2.42 Å
Binding residue
(original residue number in PDB)		D82 N101 I103 M125 D172 F178 A207 K211 R245
Binding residue
(residue number reindexed from 1)		D84 N103 I105 M127 D167 F173 A202 K206 R240
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
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:7s2m, PDBe:7s2m, PDBj:7s2m
PDBsum7s2m
PubMed37419898
UniProtQ8GJ22

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