Structure of PDB 5sni Chain A Binding Site BS01

Receptor Information

>5sni Chain A (length=412) Species: 287 (Pseudomonas aeruginosa)

SRRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFG
GSVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERI
GVSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHL
GLQGPNYALTTAQTTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLG
GFGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARG
ARIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYI
NAHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEA
IFSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFG
GTNGTLVFRRFA

Ligand information

• Ligand ID: UVA
• InChI: InChI=1S/C8H11NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h3-6,9H,1-2H3
• InChIKey: YLDKGNWSSXYUAH-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: CNc1ccccc1[S](C)(=O)=O
  OpenEye OEToolkits 2.0.7: CNc1ccccc1S(=O)(=O)C
  ACDLabs 12.01: c1cc(S(C)(=O)=O)c(NC)cc1
• Formula: C8 H11 N O2 S
• Name: N-methyl-2-(methylsulfonyl)aniline
• ZINC: ZINC000034246003
• PDB chain: 5sni Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5sni PanDDA analysis group deposition
• Resolution: 2.11 Å
• Binding residue (original residue number in PDB): M173 R176 N177 Y180 E182
• Binding residue (residue number reindexed from 1): M172 R175 N176 Y179 E181
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.3.1.179: beta-ketoacyl-[acyl-carrier-protein] synthase II.

Gene Ontology

Molecular Function

• GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
• GO:0016746 acyltransferase activity
• GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
• GO:0046872 metal ion binding

Biological Process

• GO:0006633 fatty acid biosynthetic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:5sni, PDBe:5sni, PDBj:5sni
• PDBsum: 5sni
• UniProt: G3XDA2