Structure of PDB 8f8k Chain A Binding Site BS02

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8f8k Chain A Residue 408 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		D84 D88
Binding residue
(residue number reindexed from 1)		D85 D89
Annotation score1
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)

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