Structure of PDB 3sh0 Chain B

Receptor sequence
>3sh0B (length=222) Species: 83333 (Escherichia coli K-12) [Search protein sequence]
LPAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGI
EALTLYAFSSAQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNS
RLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQ
PDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTD
VLWPDFDEQDFEGALNAFANRE
3D structure
PDB3sh0 Antibacterial drug leads targeting isoprenoid biosynthesis.
ChainB
Resolution1.84 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D26 H43 L137
Catalytic site (residue number reindexed from 1) D14 H31 L119
Enzyme Commision number 2.5.1.31: ditrans,polycis-undecaprenyl-diphosphate synthase [(2E,6E)-farnesyl- diphosphate specific].
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 SAX B A47 L85 M86 L88 E96 F116 A142 A143 N144 A35 L67 M68 L70 E78 F98 A124 A125 N126 PDBbind-CN: -logKd/Ki=5.66,IC50=2.2uM
BS02 SAX B S55 A58 N59 E96 S99 L100 H103 S43 A46 N47 E78 S81 L82 H85 PDBbind-CN: -logKd/Ki=5.66,IC50=2.2uM
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008834 di-trans,poly-cis-undecaprenyl-diphosphate synthase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0036094 small molecule binding
GO:0042803 protein homodimerization activity
GO:0045547 dehydrodolichyl diphosphate synthase activity
GO:0046872 metal ion binding
Biological Process
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0016094 polyprenol biosynthetic process
GO:0043164 Gram-negative-bacterium-type cell wall biogenesis
GO:0051301 cell division
GO:0071555 cell wall organization
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Cellular Component
External links
PDB RCSB:3sh0, PDBe:3sh0, PDBj:3sh0
PDBsum3sh0
PubMed23248302
UniProtP60472|UPPS_ECOLI Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) (Gene Name=ispU)

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