Structure of PDB 8f8k Chain A Binding Site BS01

Receptor Information
>8f8k Chain A (length=353) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TMAGAITDQLRRYLHGRRRAAAHMGSDYDGLIADLEDFVLGGGKRLRPLF
AYWGWHAVASREPDPDVLLLFSALELLHAWALVHDDLIDRSATRRGRPTA
QLRYAALHRDRDWRGSPDQFGMSAAILLGDLAQVWADDIVSKVCQSALAP
DAQRRVHRVWADIRNEVLGGQYLDIVAEASAAESIESAMNVATLKTACYT
VSRPLQLGTAAAADRSDVAAIFEHFGADLGVAFQLRDDVLGVFGDPAVTG
KPSGDDLKSGKRTVLVAEAVELADRSDPLAAKLLRTSIGTRLTDAQVREL
RTVIEAVGARAAAESRIAALTQRALATLASAPINATAKAGLSELAMMAAN
RSA
Ligand information
Ligand IDIPE
InChIInChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
InChIKeyNUHSROFQTUXZQQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=C)CCO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(=C)CCOP(=O)(O)OP(=O)(O)O
ACDLabs 10.04O=P(OP(=O)(O)O)(OCC\C(=C)C)O
OpenEye OEToolkits 1.5.0CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O
CACTVS 3.341CC(=C)CCO[P@](O)(=O)O[P](O)(O)=O
FormulaC5 H12 O7 P2
Name3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE;
ISOPENTENYL PYROPHOSPHATE
ChEMBLCHEMBL356362
DrugBankDB04714
ZINCZINC000008215654
PDB chain8f8k Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8f8k The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L81 Q170 K194 Y198 K260
Binding residue
(residue number reindexed from 1)		L82 Q171 K195 Y199 K261
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.1: dimethylallyltranstransferase.
2.5.1.10: (2E,6E)-farnesyl diphosphate synthase.
Gene Ontology
Molecular Function
GO:0004161 dimethylallyltranstransferase activity
GO:0004337 geranyltranstransferase activity
GO:0004659 prenyltransferase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006629 lipid metabolic process
GO:0008299 isoprenoid biosynthetic process
GO:0033384 geranyl diphosphate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8f8k, PDBe:8f8k, PDBj:8f8k
PDBsum8f8k
PubMed
UniProtO53507|GFPPS_MYCTU (2E,6E)-farnesyl diphosphate synthase (Gene Name=idsA2)

[Back to BioLiP]