Structure of PDB 4l8a Chain A Binding Site BS02

Receptor Information

>4l8a Chain A (length=159) Species: 208964 (Pseudomonas aeruginosa PAO1)

MQLSHRPAETGDLETVAGFPQDRDELFYCYPKAIWPFSVAQLAAAIAERR
GSTVAVHDGQVLGFANFYQWQHGDFCALGNMMVAPAARGLGVARYLIGVM
ENLAREQYKARLMKISCFNANAAGLLLYTQLGYQPRAIAERHDPDGRRVA
LIQMDKPLE

Ligand information

• Ligand ID: 1VP
• InChI: InChI=1S/C18H25N3O5/c1-13(22)19-10-6-5-9-15(18(25)26)21-17(24)12-20-16(23)11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,19,22)(H,20,23)(H,21,24)(H,25,26)/t15-/m0/s1
• InChIKey: VCECDMBCQWWZKG-HNNXBMFYSA-N
• SMILES:
  CACTVS 3.385: CC(=O)NCCCC[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(O)=O
  OpenEye OEToolkits 1.7.6: CC(=O)NCCCCC(C(=O)O)NC(=O)CNC(=O)Cc1ccccc1
  OpenEye OEToolkits 1.7.6: CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc1ccccc1
  ACDLabs 12.01: O=C(NCC(=O)NC(C(=O)O)CCCCNC(=O)C)Cc1ccccc1
  CACTVS 3.385: CC(=O)NCCCC[CH](NC(=O)CNC(=O)Cc1ccccc1)C(O)=O
• Formula: C18 H25 N3 O5
• Name: N-(phenylacetyl)glycyl-N~6~-acetyl-L-lysine
• ZINC: ZINC000095920959
• PDB chain: 4l8a Chain A Residue 210

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4l8a Structural, functional, and inhibition studies of a Gcn5-related N-acetyltransferase (GNAT) superfamily protein PA4794: a new C-terminal lysine protein acetyltransferase from pseudomonas aeruginosa.
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): Y28 P31 R49 Y68 L78 G79 N80 M81 S116 R141
• Binding residue (residue number reindexed from 1): Y28 P31 R49 Y68 L78 G79 N80 M81 S116 R141
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
• GO:0046872 metal ion binding

External links

• PDB: RCSB:4l8a, PDBe:4l8a, PDBj:4l8a
• PDBsum: 4l8a
• PubMed: 24003232
• UniProt: Q9HV14