Structure of PDB 5snn Chain B Binding Site BS01

Receptor Information

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

SRRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFG
GSVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERI
GVSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHL
GLQGPNYALTTAQTTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLG
GFGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARG
ARIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYI
NAHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEA
IFSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFG
GTNGTLVFRRFA

Ligand information

• Ligand ID: NZ1
• InChI: InChI=1S/C8H8N2OS/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10)
• InChIKey: OMIHQJBWAPWLBO-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: Nc2sc1ccc(cc1n2)OC
  OpenEye OEToolkits 2.0.6: COc1ccc2c(c1)nc(s2)N
  CACTVS 3.385: COc1ccc2sc(N)nc2c1
• Formula: C8 H8 N2 O S
• Name: 5-methoxy-1,3-benzothiazol-2-amine
• ChEMBL: CHEMBL4787720
• ZINC: ZINC000000323233
• PDB chain: 5snn Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5snn PanDDA analysis group deposition
• Resolution: 2.08 Å
• Binding residue (original residue number in PDB): R176 Y180 E182
• Binding residue (residue number reindexed from 1): R175 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:5snn, PDBe:5snn, PDBj:5snn
• PDBsum: 5snn
• UniProt: G3XDA2