Structure of PDB 3zmb Chain A Binding Site BS01

Receptor Information

>3zmb Chain A (length=275) Species: 208964 (Pseudomonas aeruginosa PAO1)

SMIAAYQARCQARVDAALDALFVAPREELQRLYEAMRYSVMNGGKRVRPL
LAYAACEALGGAPQRADAAACAVELIHAYSLVHDDLPAMDDDDLRRGQPT
THRAFDEATAILAADGLQALAFEVLADTRRNPQEHAVCLEMLTRLARAAG
SAGMVGGQAIDLGSVALDQAALEVMHRHKTGALIEASVRLGALASGRAEP
ASLAALERYAEAIGLAFQVQDDILDVEPTYPALLGLEAAKGYALELRDLA
LAALDGFPPSADPLRQLARYIVERR

Ligand information

• Ligand ID: 6H6
• InChI: InChI=1S/C10H9NO4/c12-9(13)5-6-11-7-3-1-2-4-8(7)15-10(11)14/h1-4H,5-6H2,(H,12,13)/p-1
• InChIKey: BMLRDVCKJXMASM-UHFFFAOYSA-M
• SMILES:
  ACDLabs 12.01: [O-]C(=O)CCN1c2ccccc2OC1=O
  CACTVS 3.370: OC(=O)CCN1C(=O)Oc2ccccc12
  OpenEye OEToolkits 1.7.6: c1ccc2c(c1)N(C(=O)O2)CCC(=O)O
• Formula: C10 H9 N O4
• Name: 3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
• PDB chain: 3zmb Chain A Residue 1295

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3zmb Structural Characterization of Substrate and Inhibitor Binding to Farnesyl Pyrophosphate Synthase from Pseudomonas Aeruginosa
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): A3 Q6 K44 V46 Y289
• Binding residue (residue number reindexed from 1): A4 Q7 K45 V47 Y270
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.10: (2E,6E)-farnesyl diphosphate synthase.

Gene Ontology

Molecular Function

• GO:0004659 prenyltransferase activity
• GO:0016740 transferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0008299 isoprenoid biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3zmb, PDBe:3zmb, PDBj:3zmb
• PDBsum: 3zmb
• PubMed: 25760619
• UniProt: Q9HWY4