Brand  (β version)

PDB ID: 4KT8

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Ligands
Code Name Style Show Link
9AX (2e)-3-methyl-5-[(1r,2s,8as)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate PoSSuM
PO4 Phosphate ion PoSSuM
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Structure summary

Code : 4KT8   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : The complex structure of Rv3378c-Y51FY90F with substrate, TPP
Release Data : 2014-02-26
Compound :
mol_id molecule chains synonym
1 Diterpene synthase A Isotuberculosinol synthase, Nosyberkol synthase, Tuberculosinol synthase
ec: 3.1.7.9, 3.1.7.8
mutation: Y51F, Y90F
Source :
mol_id organism_scientific expression_system
1 Mycobacterium tuberculosis  (taxid:1773) Escherichia coli  (taxid:562)
strain: H37Rv
gene: Rv3378c, MT3488
expression_system_strain: BL21 trx B
expression_system_vector_type: plasmid
expression_system_plasmid: pET32a Xa/LIC
Authors : Chan, H.C., Feng, X., Ko, T.P., Huang, C.H., Hu, Y., Zheng, Y., Bogue, S., Nakano, C., Hoshino, T., Zhang, L., Lv, P., Liu, W., Crick, D.C., Liang, P.H., Wang, A.H., Oldfield, E., Guo, R.T.
Keywords : Diterpene synthase, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 2.4 Å )
Citation :

Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.

Chan, H.C.,Feng, X.,Ko, T.P.  et al.
(2014)  J.Am.Chem.Soc.  136 : 2892 - 2896

PubMed: 24475925
DOI: 10.1021/ja413127v

Reaction

Chain : A
UniProt : O50407
Reaction : -