Brand  (β version)

PDB ID: 3SZU

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Ligands
Code Name Style Show Link
F3S Fe3-s4 cluster PoSSuM
H6P (2e)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 3SZU   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : IspH:HMBPP complex structure of E126Q mutant
Release Data : 2011-11-30
Compound :
mol_id molecule chains synonym
1 4-hydroxy-3-methylbut-2-enyl diphosphate reductase A,B IspH
ec: 1.17.1.2
mutation: E126Q
Source :
mol_id organism_scientific expression_system
1 Escherichia coli  (taxid:83333) Escherichia coli  (taxid:562)
strain: K12
gene: ispH, lytB, yaaE, b0029, JW0027
Authors : Span, I., Graewert, T., Bacher, A., Eisenreich, W., Groll, M.
Keywords : 3Fe-4S iron-sulfur cluster, conserved cysteine, IPP and DMAPP production final step, non-mevalonate pathway, substrate HMBPP, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 1.40 Å )
Citation :

Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.

Span, I.,Grawert, T.,Bacher, A.  et al.
(2012)  J.Mol.Biol.  416 : 1 - 9

PubMed: 22137895
DOI: 10.1016/j.jmb.2011.11.033

Reaction

Chain : A, B
UniProt : P62623 (ISPH_ECOLI)
Reaction: EC: Evidence:
Physiological Direction:
isopentenyl diphosphate + 2 oxidized [2Fe-2S]-[ferredoxin] + H2O = (2E)-4-hydroxy-3-methylbut-2-enyl diphosphate + 2 reduced [2Fe- 2S]-[ferredoxin] + 2 H(+) 1.17.7.4 PubMed:12198182, PubMed:12571359, PubMed:12706830
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dimethylallyl diphosphate + 2 oxidized [2Fe-2S]-[ferredoxin] + H2O = (2E)-4-hydroxy-3-methylbut-2-enyl diphosphate + 2 reduced [2Fe- 2S]-[ferredoxin] + 2 H(+) 1.17.7.4 PubMed:12198182, PubMed:12571359, PubMed:12706830
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Cofactor: Evidence: Note:
[4Fe-4S] cluster ECO:0000269 | PubMed:12706830
ECO:0000269 | PubMed:20080550
ECO:0000269 | PubMed:22012762
ECO:0000269 | PubMed:22137895
ECO:0000269 | PubMed:22687151
Was shown to bind 1 [3Fe-4S] cluster per subunit (PubMed:15469281, PubMed:19569147, PubMed:20080550). However, it initially contains a [4Fe-4S] cluster which easily degrades into a [3Fe-4S] form in the presence of oxygen (PubMed:12706830, PubMed:20080550, PubMed:22137895, PubMed:22687151).