Structure of PDB 4h4d Chain A

Receptor sequence

>4h4dA (length=309) Species: 83333 (Escherichia coli K-12)

MQILLANPRGFCAGVDRAISIVENALAIYGAPIYVRHEVVHNRYVVDSLR
ERGAIFIEQISEVPDGAILIFSAHGVSQAVRNEAKSRDLTVFDATCPLVT
KVHMEVARASRRGEESILIGHAGHPEVEGTMGQYSNPEGGMYLVESPDDV
WKLTVKNEEKLSFMTQTTLSVDDTSDVIDALRKRFPKIVGPRKDDICYAT
TNRQEAVRALAEQAEVVLVVGSKNSSNSNRLAELAQRMGKRAFLIDDAKD
IQEEWVKEVKCVGVTAGASAPDILVQNVVARLQQLGGGEAIPLEGREENI
VFEVPKELR

3D structure

• PDB: 4h4d Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH.
• Chain: A
• Resolution: 1.35 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	SF4	A	C12 G14 C96 T167 C197	C12 G14 C96 T167 C197
BS02	10E	A	V40 H41 A73 H74 H124 E126 S225 S226 N227 S269	V40 H41 A73 H74 H124 E126 S225 S226 N227 S269	MOAD: ic50=0.15uM PDBbind-CN: -logKd/Ki=6.82,IC50=0.15uM

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:4h4d, PDBe:4h4d, PDBj:4h4d
• PDBsum: 4h4d
• PubMed: 23307751
• UniProt: P62623|ISPH_ECOLI 4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Gene Name=ispH)