Structure of PDB 5so2 Chain B Binding Site BS02

Receptor Information

>5so2 Chain B (length=412) Species: 287 (Pseudomonas aeruginosa)

SRRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFG
GSVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERI
GVSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHL
GLQGPNYALTTAQTTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLG
GFGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARG
ARIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYI
NAHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEA
IFSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFG
GTNGTLVFRRFA

Ligand information

• Ligand ID: WJD
• InChI: InChI=1S/C9H11NO2/c1-12-7-9(11)10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
• InChIKey: LEQAQBFYCMENLP-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: c1ccccc1NC(COC)=O
  CACTVS 3.385
  OpenEye OEToolkits 2.0.7: COCC(=O)Nc1ccccc1
• Formula: C9 H11 N O2
• Name: 2-methoxy-N-phenylacetamide
• ZINC: ZINC000000047226
• PDB chain: 5so2 Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5so2 PanDDA analysis group deposition
• Resolution: 2.38 Å
• Binding residue (original residue number in PDB): G108 I109 A163 E192 F203 L343
• Binding residue (residue number reindexed from 1): G107 I108 A162 E191 F202 L342
• 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:5so2, PDBe:5so2, PDBj:5so2
• PDBsum: 5so2
• UniProt: G3XDA2