Structure of PDB 6wye Chain F Binding Site BS02

Receptor Information

>6wye Chain F (length=258) Species: 485 (Neisseria gonorrhoeae)

KNHNTFDLWHTIREETAAAAAAEPMLASFLHQTVLRHESLGSVLAYHLSS
KLGSPIMDVRALFEIYQQALSDTQISKCVEADLKAIYERDPACDEYSLPL
LYFKGFHAIQAHRINHRLYLDGRKTLAYFLQNRMSEVFGVDIHPAARLGY
GLMLDHATGFVAGETAVLGNNISILHGVTLGGSGKEGGDRHPKIGDGVMI
GANASILGNIRIGSNAKIGAGSVVVSDVPPSITVVGVPAKPVARSLKTPS
ADMDQNIQ

Ligand information

• Ligand ID: LMR
• InChI: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
• InChIKey: BJEPYKJPYRNKOW-REOHCLBHSA-N
• SMILES:
  CACTVS 3.341: O[CH](CC(O)=O)C(O)=O
  OpenEye OEToolkits 1.5.0: C(C(C(=O)O)O)C(=O)O
  CACTVS 3.341: O[C@@H](CC(O)=O)C(O)=O
  OpenEye OEToolkits 1.5.0: C([C@@H](C(=O)O)O)C(=O)O
  ACDLabs 10.04: O=C(O)CC(O)C(=O)O
• Formula: C4 H6 O5
• Name: (2S)-2-hydroxybutanedioic acid;
  L-Malate
• ChEMBL: CHEMBL1234046
• ZINC: ZINC000000895074
• PDB chain: 6wye Chain F Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6wye Serine acetyltransferase from Neisseria gonorrhoeae; structural and biochemical basis of inhibition.
• Resolution: 2.01 Å
• Binding residue (original residue number in PDB): D96 P97 D161 H162
• Binding residue (residue number reindexed from 1): D90 P91 D155 H156
• Annotation score: 1

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

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:6wye, PDBe:6wye, PDBj:6wye
• PDBsum: 6wye
• PubMed: 34890451
• UniProt: Q5F6X0