Structure of PDB 3zmc Chain B Binding Site BS01

Receptor Information
>3zmc 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 IDGPP
InChIInChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+
InChIKeyGVVPGTZRZFNKDS-JXMROGBWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C
OpenEye OEToolkits 1.5.0CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C
CACTVS 3.341CC(C)=CCCC(/C)=C/CO[P@](O)(=O)O[P](O)(O)=O
CACTVS 3.341CC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O
ACDLabs 10.04O=P(OP(=O)(OC/C=C(/CC\C=C(/C)C)C)O)(O)O
FormulaC10 H20 O7 P2
NameGERANYL DIPHOSPHATE
ChEMBLCHEMBL41342
DrugBankDB02552
ZINCZINC000008215849
PDB chain3zmc 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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PDB3zmc Structural Characterization of Substrate and Inhibitor Binding to Farnesyl Pyrophosphate Synthase from Pseudomonas Aeruginosa
Resolution1.87 Å
Binding residue
(original residue number in PDB)		S79 D83 R94 Q157 K180
Binding residue
(residue number reindexed from 1)		S80 D84 R95 Q158 K181
Annotation score5
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:3zmc, PDBe:3zmc, PDBj:3zmc
PDBsum3zmc
PubMed25760619
UniProtQ9HWY4

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