Structure of PDB 8scd Chain A Binding Site BS03

Receptor Information

>8scd Chain A (length=264) Species: 77133 (uncultured bacterium)

GMSKIFGIVNITTDSFSDGGLYLDTDKAIEHALHLVEDGADVIDLGAASS
NPDTTEVGVVEEIKRLKPVIKALKEKGISISVDTFKPEVQSFCIEQKVDF
INDIQGFPYPEIYSGLAKSDCKLVLMHSVQRIGAATKVETNPAAVFTSMM
EFFKERIAALVEAGVKRERIILDPGMGFFLGSNPETSILVLKRFPEIQEA
FNLQVMIAVSRKSFLGKITGTDVKSRLAPTLAAEMYAYKKGADYLRTHDV
KSLSDALKISKALG

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 8scd Chain A Residue 311

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8scd Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
• Resolution: 2.06 Å
• Binding residue (original residue number in PDB): N9 S14 F15 S48 S49 N50 R245 H247
• Binding residue (residue number reindexed from 1): N10 S15 F16 S49 S50 N51 R246 H248
• Annotation score: 5

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

External links

• PDB: RCSB:8scd, PDBe:8scd, PDBj:8scd
• PDBsum: 8scd
• PubMed: 37419898
• UniProt: Q8GJ22