Structure of PDB 4uxz Chain B Binding Site BS03

Receptor Information
>4uxz Chain B (length=97) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AWINEAAFRQEGVAVLLCVVIAAWLDVDAVTRVLLISSVMLVMIVELLNS
AIEAVVDRIGSEYHELSGRAKDLGSAAVLIAIIDAVITWAILLWSHF
Ligand information
Ligand ID79M
InChIInChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h9-10,18,20-21H,2-8,11-17H2,1H3/b10-9-/t18-/m1/s1
InChIKeyOWGMAJRKMYGYBQ-HJCTWCACSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O
ACDLabs 12.01O=C(OCC(O)CO)CCCCC\C=C/CCCCCCCC
CACTVS 3.385CCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
CACTVS 3.385CCCCCCCC\C=C/CCCCCC(=O)OC[C@H](O)CO
OpenEye OEToolkits 1.9.2CCCCCCCCC=CCCCCCC(=O)OCC(CO)O
FormulaC19 H36 O4
Name(2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate;
[(2R)-2,3-bis(oxidanyl)propyl] (Z)-hexadec-7-enoate
ChEMBL
DrugBank
ZINCZINC000098208566
PDB chain4uxz Chain B Residue 1122 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4uxz Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Resolution2.18 Å
Binding residue
(original residue number in PDB)		E34 C41 E69 W112 F120
Binding residue
(residue number reindexed from 1)		E11 C18 E46 W89 F97
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.1.107: diacylglycerol kinase (ATP).
Gene Ontology
Molecular Function
GO:0004143 ATP-dependent diacylglycerol kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006654 phosphatidic acid biosynthetic process
GO:0008610 lipid biosynthetic process
GO:0008654 phospholipid biosynthetic process
GO:0009411 response to UV
GO:0016310 phosphorylation
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4uxz, PDBe:4uxz, PDBj:4uxz
PDBsum4uxz
PubMed26673816
UniProtP0ABN1|KDGL_ECOLI Diacylglycerol kinase (Gene Name=dgkA)

[Back to BioLiP]