Structure of PDB 4umj Chain B Binding Site BS01

Receptor Information
>4umj Chain B (length=273) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMIAAYQARCQARVDAALDALFVAPREELQRLYEAMRYSVMNGGKRVRPL
LAYAACEALGGAPQRADAAACAVELIHAYSLVHDDLPAMDDDDLRRGQPT
THRAFDEATAILAADGLQALAFEVLADTRRNPQEHAVCLEMLTRLARAAG
SAGMVGGQAIDLGSVGVALDQAALEVMHRHKTGALIEASVRLGALASGRA
EPASLAALERYAEAIGLAFQVQDDILDVPTYPALLGLEAAKGYALELRDL
ALAALDGFPPSADPLRQLARYIV
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4umj Chain B Residue 1292 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4umj Structural Characterization of Substrate and Inhibitor Binding to Farnesyl Pyrophosphate Synthase from Pseudomonas Aeruginosa.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		D83 D89
Binding residue
(residue number reindexed from 1)		D84 D90
Annotation score1
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4umj, PDBe:4umj, PDBj:4umj
PDBsum4umj
PubMed25760619
UniProtQ9HWY4

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