Structure of PDB 8b9y Chain A Binding Site BS01

Receptor Information

>8b9y Chain A (length=313) Species: 5693 (Trypanosoma cruzi)

EFDPRNNVAPSMDALIGETPAVYLKRMNDTAATIVLKLECENPMASVKDR
LAYAIYDKAEKEGKIIPGKSVIVEATSGNTGIALAHIGTIRGYKVIIVMP
ESMSIERRCLMRIFGAEVILTPAALGMKGALEAVNRIVSNNPDAVSANQF
ATKYNAQIHEETTGPEIWRQTKGHVDCFVAGVGTGGTITGVARYLKSVGC
GATIFAVEPAESPVLSFVPEVFEAALVDEVIQVSGDEAIDTAQKLPRTDG
IFCGFSGGANVYAALQIAKRPEMAGKTIVTVIPSYGERYLSTALYSSIKD
EVFALKVLSAADI

Ligand information

• Ligand ID: OAS
• InChI: InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
• InChIKey: VZXPDPZARILFQX-BYPYZUCNSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(=O)OC[C@@H](C(=O)O)N
  CACTVS 3.341: CC(=O)OC[CH](N)C(O)=O
  CACTVS 3.341: CC(=O)OC[C@H](N)C(O)=O
  ACDLabs 10.04: O=C(OCC(N)C(=O)O)C
  OpenEye OEToolkits 1.5.0: CC(=O)OCC(C(=O)O)N
• Formula: C5 H9 N O4
• Name: O-ACETYLSERINE
• ChEMBL: CHEMBL1234916
• DrugBank: DB01837
• ZINC: ZINC000000895446
• PDB chain: 8b9y Chain A Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8b9y Cysteine synthase: multiple structures of a key enzyme in cysteine synthesis and a potential drug target for Chagas disease and leishmaniasis.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): T92 G94 N95 T96
• Binding residue (residue number reindexed from 1): T76 G78 N79 T80
• Annotation score: 5

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:8b9y, PDBe:8b9y, PDBj:8b9y
• PDBsum: 8b9y
• PubMed: 37204818
• UniProt: Q4CST7