Structure of PDB 4uxz Chain A Binding Site BS02

Receptor Information
>4uxz Chain A (length=117) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGFTRIIKAAGYSWKGLRAAWINEAAFRQEGVAVLLCVVIAAWLDVDAVT
RVLLISSVMLVMIVELLNSAIEAVVDRIGSEYHELSGRAKDLGSAAVLIA
IIDAVITWAILLWSHFG
Ligand information
Ligand ID79N
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-/m0/s1
InChIKeyOWGMAJRKMYGYBQ-LPADLIQXSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCC\C=C/CCCCCC(=O)OC[C@@H](O)CO
ACDLabs 12.01O=C(OCC(O)CO)CCCCC\C=C/CCCCCCCC
CACTVS 3.385CCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
OpenEye OEToolkits 1.7.6CCCCCCCCC=CCCCCCC(=O)OCC(CO)O
OpenEye OEToolkits 1.7.6CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O
FormulaC19 H36 O4
Name(2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate
ChEMBL
DrugBank
ZINCZINC000221534416
PDB chain4uxz Chain A Residue 1123 [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)		V43 I44 W47
Binding residue
(residue number reindexed from 1)		V39 I40 W43
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]