Structure of PDB 8b9w Chain A Binding Site BS01

Receptor Information

>8b9w Chain A (length=329) Species: 67003 (Trypanosoma theileri)

QEFNKQNDVAPSVDALIGNTPAVYLRNMNKTAATIVLKLESENPMASVKD
RLAYAIYDKAEKEGKIKRGKSVIVEATSGNTGIALALLGAVRGYKVIITM
PDSMSMERRSLLRIFGAELILTPASLGMKGAVAMANRIVSNNPDAVLADQ
FCTKYNAQIHEETTGPEIWRQTKGHVDCFVAGVGTGGTLTGVARFLKSVG
CNANIVAVEPQESPVLSGGRPGPHRIQGIGAGFVPEVLDRELVDEIIQVS
SDKAIETAQKLSRMDGIFCGFSAGANVFAALKIAERPEMAGKTIVTVIPS
FGERYLSTALYASVREEITSLPVVPVSEI

Ligand information

• Ligand ID: PLP
• InChI: InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
• InChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
  OpenEye OEToolkits 1.5.0: Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
  ACDLabs 10.04: O=P(O)(O)OCc1cnc(c(O)c1C=O)C
• Formula: C8 H10 N O6 P
• Name: PYRIDOXAL-5'-PHOSPHATE;
  VITAMIN B6 Phosphate
• ChEMBL: CHEMBL82202
• DrugBank: DB00114
• ZINC: ZINC000001532514
• PDB chain: 8b9w Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8b9w Cysteine synthase: multiple structures of a key enzyme in cysteine synthesis and a potential drug target for Chagas disease and leishmaniasis.
• Resolution: 2.75 Å
• Binding residue (original residue number in PDB): K71 N102 G206 T207 G208 T210 G250 S294 P321
• Binding residue (residue number reindexed from 1): K49 N80 G184 T185 G186 T188 G228 S272 P299
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004124 cysteine synthase activity

Biological Process

• GO:0006535 cysteine biosynthetic process from serine

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:8b9w, PDBe:8b9w, PDBj:8b9w
• PDBsum: 8b9w
• PubMed: 37204818
• UniProt: A0A1X0P4R1