Structure of PDB 5snh Chain B Binding Site BS02

Receptor Information

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

SRRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFG
GSVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERI
GVSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHL
GLQGPNYALTTAQTTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLG
GFGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARG
ARIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYI
NAHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEA
IFSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFG
GTNGTLVFRRFA

Ligand information

• Ligand ID: O1M
• InChI: InChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)
• InChIKey: XARVCWHXIZRCGB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: N2(C(N)=O)CCN(c1ccc(cc1)F)CC2
  OpenEye OEToolkits 2.0.6: c1cc(ccc1N2CCN(CC2)C(=O)N)F
  CACTVS 3.385: NC(=O)N1CCN(CC1)c2ccc(F)cc2
• Formula: C11 H14 F N3 O
• Name: 4-(4-fluorophenyl)piperazine-1-carboxamide
• ZINC: ZINC000000386756
• PDB chain: 5snh Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5snh PanDDA analysis group deposition
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): F203 A206 A208 T271 F400
• Binding residue (residue number reindexed from 1): F202 A205 A207 T270 F399
• 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:5snh, PDBe:5snh, PDBj:5snh
• PDBsum: 5snh
• UniProt: G3XDA2