Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
0CG Prop-2-yn-1-yl trihydrogen diphosphate
GOL Glycerol
SF4 Iron/sulfur cluster
Modified Residues
Code Name Link
KCX Lysine nz-carboxylic acid
Code : 4S3E
Header : OXIDOREDUCTASE
Title : IspG in complex with Inhibitor 7 (compound 1061)
Release Data : 2015-04-29
Compound :
mol_id molecule chains synonym
1 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase A 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate synthase
ec: 1.17.7.1
Source :
mol_id organism_scientific expression_system
1 Thermus thermophilus HB8  (taxid:300852) Escherichia coli  (taxid:469008)
strain: HB8/DSM 579
atcc: 27634
gene: ispG, TTHA0305
expression_system_strain: BL21(DE3)
expression_system_plasmid: pET28b
Authors : Quitterer, F., Frank, A., Wang, K., Rao, G., O'Dowd, B., Li, J., Guerra, F., Abdel-Azeim, S., Bacher, A., Eppinger, J., Oldfield, E., Groll, M.
Keywords : Methylerythritol-Phosphate Pathway, Terpene Biosynthesis, Iron-Sulfur Enzymes, Reaction Mechanisms, Drug Development, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 1.35 Å )
Citation :

Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).

Quitterer, F.,Frank, A.,Wang, K.  et al.
(2015)  J.Mol.Biol.  427 : 2220 - 2228

PubMed: 25868383
DOI: 10.1016/j.jmb.2015.04.002

Chain : A
UniProt : Q5SLI8 (ISPG_THET8)
Reaction : (E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate + H(2)O + oxidized flavodoxin = 2-C-methyl-D- erythritol 2,4-cyclodiphosphate + reduced flavodoxin.