Structure of PDB 7ba4 Chain A Binding Site BS01

Receptor Information

>7ba4 Chain A (length=377) Species: 287 (Pseudomonas aeruginosa)

DAPAQAFATRVIHAGQAPDPSTGAIMPPIYANSTYIQRSHNPTRWALERC
VADLEGGTQAFAFASGLAAISSVLELLDAGSHIVSGNDLYGGTFRLFERV
RRRSAGHRFSFVDPTDLQAFEAALTPETRMVWVETPSNPLLRLTDLRAIA
QLCRARGIISVADNTFASPYIQRPLELGFDVVVHSTTKYLNGHSDVIGGI
AIVGDNPDLRERLGFLQNSVGAISGPFDAFLTLRGVKTLALRMERHCSNA
LALAQWLERQPQVARVYYPGLASHPQHELAKRQMRGFGGMISLDLRCDLA
GARRFLENVRIFSLAESLGGVESLIEHPAIMTHASIPAETRADLGIGDSL
IRLSVGVEALEDLQADLAQALAKIHHH

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: 7ba4 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ba4 Structure of Cystathionine gamma-lyase from Pseudomonas aeruginosa
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): G86 L87 Y110 D183 F186 S205 T207 K208
• Binding residue (residue number reindexed from 1): G66 L67 Y90 D163 F166 S185 T187 K188
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.48: cystathionine gamma-synthase.

Gene Ontology

Molecular Function

• GO:0003962 cystathionine gamma-synthase activity
• GO:0016740 transferase activity
• GO:0016846 carbon-sulfur lyase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0019346 transsulfuration

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:7ba4, PDBe:7ba4, PDBj:7ba4
• PDBsum: 7ba4
• UniProt: A0A509J8D5