Structure of PDB 2vg1 Chain A Binding Site BS01

Receptor Information
>2vg1 Chain A (length=228) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDLPRHIAVLCDGNRRWARSAGYDDVSYGYRMGAAKIAEMLRWCHEAGIE
LATVYLLSTENLQRDPDELAALIEIITDVVEEICAPANHWSVRTVGDLGL
IGEEPARRLRGAVESTPEVASFHVNVAVGYGGRREIVDAVRALLSKELAN
GATAEELVDAVTVEGISENLYTSGQPDPDLVIRTSGEQRLSGFLLWQSAY
SEMWFTEAHWPAFRHVDFLRALRDYSAR
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain2vg1 Chain A Residue 1257 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2vg1 The structural basis of chain length control in Rv1086.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G41 R43 R44
Binding residue
(residue number reindexed from 1)		G13 R15 R16
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D40 Y58 F150
Catalytic site (residue number reindexed from 1) D12 Y30 F122
Enzyme Commision number 2.5.1.68: (2Z,6E)-farnesyl diphosphate synthase.
Gene Ontology
Molecular Function
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups

View graph for
Molecular Function
External links
PDB RCSB:2vg1, PDBe:2vg1, PDBj:2vg1
PDBsum2vg1
PubMed18597781
UniProtP9WFF5|ZFPP_MYCTU (2Z,6E)-farnesyl diphosphate synthase (Gene Name=Rv1086)

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