Structure of PDB 3p47 Chain A Binding Site BS01

Receptor Information

>3p47 Chain A (length=270) Species: 294381 (Entamoeba histolytica HM-1:IMSS)

ASMDNYIYSIAHQLYEMYLQDEDAFHSKRDYPHKKVFTELQKLRKIFFPD
FFMKHQKITESHIASELTKLVDYIKDSVTAYNDELFAHQCVMAILEKLPS
IKRTLKTDLIAAYAGDPAAPGLSLIIRCYPGFQAVIVYRIAHVLYECGER
YYCREMMESVHSYTSIDIHPGASIKGHFFIDHGVGVVIGETAIIGEWCRI
YQSVTLGAMHFQEEGGVIKRGTKRHPTVGDYVTIGTGAKVLGNIIVGSHV
RIGANCWIDRDVDSNQTVYI

Ligand information

• Ligand ID: CYS
• InChI: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
• InChIKey: XUJNEKJLAYXESH-REOHCLBHSA-N
• SMILES:
  CACTVS 3.341: N[CH](CS)C(O)=O
  OpenEye OEToolkits 1.5.0: C([C@@H](C(=O)O)N)S
  CACTVS 3.341: N[C@@H](CS)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CS
  OpenEye OEToolkits 1.5.0: C(C(C(=O)O)N)S
• Formula: C3 H7 N O2 S
• Name: CYSTEINE
• ChEMBL: CHEMBL863
• DrugBank: DB00151
• ZINC: ZINC000000895042
• PDB chain: 3p47 Chain A Residue 314

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3p47 Structural and biochemical studies of serine acetyltransferase reveal why the parasite Entamoeba histolytica cannot form a cysteine synthase complex
• Resolution: 1.78 Å
• Binding residue (original residue number in PDB): A206 H208 R222 H223
• Binding residue (residue number reindexed from 1): A208 H210 R224 H225
• Annotation score: 2

Enzymatic activity

• Enzyme Commision number: 2.3.1.30: serine O-acetyltransferase.

Gene Ontology

Molecular Function

• GO:0009001 serine O-acetyltransferase activity
• GO:0016746 acyltransferase activity

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:3p47, PDBe:3p47, PDBj:3p47
• PDBsum: 3p47
• PubMed: 21297164
• UniProt: Q9U8X2