Structure of PDB 5sng Chain A Binding Site BS01

Receptor Information

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

SRRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFG
GSVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERI
GVSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHL
GLQGPNYALTTAQTTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLG
GFGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARG
ARIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYI
NAHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEA
IFSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFG
GTNGTLVFRRFA

Ligand information

• Ligand ID: UV7
• InChI: InChI=1S/C6H9N3O/c1-5(10)7-2-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,7,10)(H,8,9)
• InChIKey: VFAFDDVJGKOBTH-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385
  OpenEye OEToolkits 2.0.7: CC(=O)NCc1c[nH]nc1
  ACDLabs 12.01: n1cc(cn1)CNC(C)=O
• Formula: C6 H9 N3 O
• Name: N-[(1H-pyrazol-4-yl)methyl]acetamide
• ZINC: ZINC000037987327
• PDB chain: 5sng Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5sng PanDDA analysis group deposition
• Resolution: 1.94 Å
• Binding residue (original residue number in PDB): T211 R212 D214 D228
• Binding residue (residue number reindexed from 1): T210 R211 D213 D227
• 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:5sng, PDBe:5sng, PDBj:5sng
• PDBsum: 5sng
• UniProt: G3XDA2