Structure of PDB 8tn3 Chain B Binding Site BS01

Receptor Information

>8tn3 Chain B (length=388) Species: 1912 (Streptomyces hygroscopicus)

SLSHTRQWRPGVVQEVAPAGVLDLGPGYIEPALLPVRLLRGAYEQALAEY
GAAALGYGHDPGAQPLRDRLAARAAAADGLPCDPDQVLLTSGTSQALYLL
ATSLAAPGDTVLTEELCYDLGQRIFRDCSLRLRQVAMDGSGMLPDALDRA
LTEGARAGAKTAFVYLTPTHHNPTGHTMPLARRRLLLEVAARHDVLIVED
DAYTELSLIPDRTPPPSLAALAGYRRVVRLCSFSKTLGPGLRLGWLLADR
ELAGRLATHGLFVSGGSLNHTTSLAVSTLLASGAYDRHLDAFRAQLRARR
DALVGALRAMLDDGVELRTPEGGFFLWLRAGDGADERELLDGAARAGVRI
AAGSRFGTTQGAGLRLAFSFNPPALLEQAAKRLTTAWS

Ligand information

• Ligand ID: PMP
• InChI: InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
• InChIKey: ZMJGSOSNSPKHNH-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=P(O)(O)OCc1cnc(c(O)c1CN)C
  OpenEye OEToolkits 1.5.0: Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
  CACTVS 3.341: Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
• Formula: C8 H13 N2 O5 P
• Name: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
  PYRIDOXAMINE-5'-PHOSPHATE
• ChEMBL: CHEMBL1235353
• DrugBank: DB02142
• ZINC: ZINC000001532708
• PDB chain: 8tn3 Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8tn3 Structural and Biochemical Characterization of MppQ, an L-Enduracididine Biosynthetic Enzyme from Streptomyces hygroscopicus.
• Resolution: 1.63 Å
• Binding residue (original residue number in PDB): T108 S109 Y133 D215 Y218 S247 S249 K250 R257
• Binding residue (residue number reindexed from 1): T93 S94 Y118 D200 Y203 S232 S234 K235 R242
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0008483 transaminase activity
• GO:0030170 pyridoxal phosphate binding
• GO:0047536 2-aminoadipate transaminase activity

Biological Process

• GO:0009058 biosynthetic process

External links

• PDB: RCSB:8tn3, PDBe:8tn3, PDBj:8tn3
• PDBsum: 8tn3
• PubMed: 37890134
• UniProt: Q643B9