Structure of PDB 4h2o Chain B

Receptor sequence
>4h2oB (length=208) Species: 562 (Escherichia coli) [Search protein sequence]
PAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIE
ALTLYAFSSFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEA
LTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGQPDQIDEEMLNQHV
CMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEG
ALNAFANR
3D structure
PDB4h2o Antibacterial drug leads targeting isoprenoid biosynthesis.
ChainB
Resolution2.14 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) D26 H43 L137
Catalytic site (residue number reindexed from 1) D13 H30 L108
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 0YW B S55 L93 E96 L100 H103 S42 L64 E67 L71 H74 PDBbind-CN: -logKd/Ki=5.52,IC50=3.0uM
BS02 0YW B R51 F89 E96 N144 R38 F60 E67 N115 PDBbind-CN: -logKd/Ki=5.52,IC50=3.0uM
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4h2o, PDBe:4h2o, PDBj:4h2o
PDBsum4h2o
PubMed23248302
UniProtP60472|UPPS_ECOLI Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) (Gene Name=ispU)

[Back to BioLiP]