Structure of PDB 7ccv Chain A Binding Site BS01

Receptor Information
>7ccv Chain A (length=274) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVFRQENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRTKS
SRRGVSREDIEREVSILKEIQHPNVITLHEVYENKTDVILILELVAGGEL
FDFLAESLTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLDRNVP
KPRIKIIDFGLAHKIDFGNEFKNIFGTPEFVAPEIVNYEPLGLEADMWSI
GVITYILLSGASPFLGDTKQETLANVSAVNYEFEDEYFSNTSALAKDFIR
RLLVKDPKKRMTIQDSLQHPWIKP
Ligand information
Ligand IDPIT
InChIInChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
InChIKeyCDRPUGZCRXZLFL-OWOJBTEDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
OpenEye OEToolkits 1.5.0c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O
OpenEye OEToolkits 1.5.0c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O
CACTVS 3.341Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1
ACDLabs 10.04Oc2ccc(\C=C\c1cc(O)cc(O)c1)cc2O
FormulaC14 H12 O4
NamePICEATANNOL;
4-[(E)-2-(3,5-DIHYDROXYPHENYL)ETHENYL]BENZENE-1,2-DIOL
ChEMBLCHEMBL69863
DrugBankDB08399
ZINCZINC000000014036
PDB chain7ccv Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ccv Crystal structure of death-associated protein kinase 1 in complex with the dietary compound resveratrol.
Resolution1.753 Å
Binding residue
(original residue number in PDB)		L19 A40 K42 E64 L68 I77 L93 E94 L95 M146 I160 D161 F162
Binding residue
(residue number reindexed from 1)		L18 A39 K41 E63 L67 I76 L92 E93 L94 M143 I157 D158 F159
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D139 K141 N144 D161 T180
Catalytic site (residue number reindexed from 1) D136 K138 N141 D158 T177
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7ccv, PDBe:7ccv, PDBj:7ccv
PDBsum7ccv
PubMed
UniProtP53355|DAPK1_HUMAN Death-associated protein kinase 1 (Gene Name=DAPK1)

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