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BioLiP

Structure of PDB 4ck0 Chain C Binding Site BS02

Receptor Information

>4ck0 Chain C (length=104) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

YSWKGLRAAWINEAAFRQEGVAVLLAVVIACWLDVDACTRVLLISSVMLV
MIVELLNSAIEAVVDRIGSEYHELSGRAKDLGSAAVLIAIIDAVITWCIL
LWSH

Ligand information

Ligand ID

ACP

InChI

InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1

InChIKey

UFZTZBNSLXELAL-IOSLPCCCSA-N

SMILES

Software	SMILES
CACTVS 3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04	O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]3O

Formula

C11 H18 N5 O12 P3

Name

PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER;
ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE

PDB chain

4ck0 Chain C Residue 1122 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4ck0 Crystal Structure of the Integral Membrane Diacylglycerol Kinase with Zn-Amppcp Bound and its Catalytic Mechanism
Resolution	2.924 Å
Binding residue (original residue number in PDB)	E28 E76 Y86 H87 S90 G91 K94 D95
Binding residue (residue number reindexed from 1)	E13 E61 Y71 H72 S75 G76 K79 D80
Annotation score	3

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

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:4ck0, PDBe:4ck0, PDBj:4ck0
PDBsum	4ck0
PubMed
UniProt	P0ABN1\|KDGL_ECOLI Diacylglycerol kinase (Gene Name=dgkA)

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