Structure of PDB 8scd Chain A Binding Site BS01

Receptor Information
>8scd Chain A (length=264) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMSKIFGIVNITTDSFSDGGLYLDTDKAIEHALHLVEDGADVIDLGAASS
NPDTTEVGVVEEIKRLKPVIKALKEKGISISVDTFKPEVQSFCIEQKVDF
INDIQGFPYPEIYSGLAKSDCKLVLMHSVQRIGAATKVETNPAAVFTSMM
EFFKERIAALVEAGVKRERIILDPGMGFFLGSNPETSILVLKRFPEIQEA
FNLQVMIAVSRKSFLGKITGTDVKSRLAPTLAAEMYAYKKGADYLRTHDV
KSLSDALKISKALG
Ligand information
Ligand IDXHP
InChIInChI=1S/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h1-2H2,(H3,8,9,11,12,13)
InChIKeyCHIXTMVYEYYHIG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NC1=NC2=NCC(=C)N=C2C(=O)N1
ACDLabs 12.01O=C1C2=N\C(=C)CN=C2N=C(N)N1
OpenEye OEToolkits 1.7.2C=C1CN=C2C(=N1)C(=O)NC(=N2)N
FormulaC7 H7 N5 O
Name2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one
ChEMBL
DrugBank
ZINCZINC000095921349
PDB chain8scd 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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PDB8scd Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		D82 N101 M125 D172 F178 A207 K211 R245
Binding residue
(residue number reindexed from 1)		D83 N102 M126 D173 F179 A208 K212 R246
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:8scd, PDBe:8scd, PDBj:8scd
PDBsum8scd
PubMed37419898
UniProtQ8GJ22

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