Structure of PDB 2vg0 Chain B Binding Site BS01

Receptor Information
>2vg0 Chain B (length=227) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLPRHIAVLCDGNRRWARSAGYDDVSYGYRMGAAKIAEMLRWCHEAGIEL
ATVYLLSTENLQRDPDELAALIEIITDVVEEICAPANHWSVRTVGDLGLI
GEEPARRLRGAVESTPEVASFHVNVAVGYGGRREIVDAVRALLSKELANG
ATAEELVDAVTVEGISENLYTSGQPDPDLVIRTSGEQRLSGFLLWQSAYS
EMWFTEAHWPAFRHVDFLRALRDYSAR
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 chain2vg0 Chain B 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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PDB2vg0 The structural basis of chain length control in Rv1086.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		C39 D40 G41 N42 R43 R44 Y58 G61 A62 L84 N89 R92
Binding residue
(residue number reindexed from 1)		C10 D11 G12 N13 R14 R15 Y29 G32 A33 L55 N60 R63
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D40 Y58 F150
Catalytic site (residue number reindexed from 1) D11 Y29 F121
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:2vg0, PDBe:2vg0, PDBj:2vg0
PDBsum2vg0
PubMed18597781
UniProtP9WFF5|ZFPP_MYCTU (2Z,6E)-farnesyl diphosphate synthase (Gene Name=Rv1086)

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