Structure of PDB 3kef Chain A

Receptor sequence

>3kefA (length=309) Species: 83333 (Escherichia coli K-12)

MQILLANPRGFCAGVDRAISIVENALAIYGAPIYVRHEVVHNRYVVDSLR
ERGAIFIEQISEVPDGAILIFSAHGVSQAVRNEAKSRDLTVFDATCPLVT
KVHMEVARASRRGEESILIGHAGHPEVEGTMGQYSNPEGGMYLVESPDDV
WKLTVKNEEKLSFMTQTTLSVDDTSDVIDALRKRFPKIVGPRKDDICYAT
TNRQEAVRALAEQAEVVLVVGSKNSSNSNRLAELAQRMGKRAFLIDDAKD
IQEEWVKEVKCVGVTAGASAPDILVQNVVARLQQLGGGEAIPLEGREENI
VFEVPKELR

3D structure

• PDB: 3kef Probing the reaction mechanism of IspH protein by x-ray structure analysis.
• Chain: A
• Resolution: 1.7 Å

Enzymatic activity

• Enzyme Commision number: 1.17.7.4: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	F3S	A	C12 G14 C96 L98 T167 C197	C12 G14 C96 L98 T167 C197
BS02	DMA	A	V40 H41 A73 H74 H124 T168 S225 S226 N227 S269	V40 H41 A73 H74 H124 T168 S225 S226 N227 S269

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0042380 hydroxymethylbutenyl pyrophosphate reductase activity
• GO:0046872 metal ion binding
• GO:0051538 3 iron, 4 sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding
• GO:0051745 4-hydroxy-3-methylbut-2-enyl diphosphate reductase activity

Biological Process

• GO:0008299 isoprenoid biosynthetic process
• GO:0016114 terpenoid biosynthetic process
• GO:0019288 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
• GO:0050992 dimethylallyl diphosphate biosynthetic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:3kef, PDBe:3kef, PDBj:3kef
• PDBsum: 3kef
• PubMed: 20080550
• UniProt: P62623|ISPH_ECOLI 4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Gene Name=ispH)