Structure of PDB 3gvd Chain H Binding Site BS02

Receptor Information

>3gvd Chain H (length=261) Species: 632 (Yersinia pestis)

AMSSEELEQVWSNIKSEARALAECEPMLASFFHATLLKHENLGSALSYIL
ANKLANPIMPAIAIREVVEEAYRSDAHMIVSAARDILAVRLRDPAVDKYS
TPLLYLKGFHALQAYRIGHWLWAQDRKALAIYLQNQVSVAFGVDIHPAAT
IGCGIMLDHATGIVIGETAVVENDVSILQSVTLGGTGKTSGDRHPKIREG
VMIGAGAKILGNIEVGRGAKIGAGSVVLQSVPAHTTAAGVPARIVGKPES
DKPSLDMDQHF

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: 3gvd Chain H Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3gvd Crystal Structure of Serine Acetyltransferase CysE from Yersinia pestis
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): D92 P93 D157 H158
• Binding residue (residue number reindexed from 1): D93 P94 D158 H159
• 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:0016740 transferase activity
• GO:0016746 acyltransferase activity
• GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups

Biological Process

• GO:0006535 cysteine biosynthetic process from serine
• GO:0008652 amino acid biosynthetic process
• GO:0019344 cysteine biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:3gvd, PDBe:3gvd, PDBj:3gvd
• PDBsum: 3gvd
• UniProt: A0A2U2H3H7