Het-PDB Navi2 (PDB: 5VC5)

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Ligands
Code	Name	Link
96M	6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-methylpyrido[2,3-D]pyrimidin-7(8h)-one	PoSSuM
CL	Chloride ion	PoSSuM
EDO	1,2-ethanediol	PoSSuM
PEG	Di(hydroxyethyl)ether	PoSSuM

Non-standard Residues
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Download interaction data: 5VC5

Code :

5VC5 PDBj RCSB PDB PDBe

Header :

TRANSFERASE/TRANSFERASE INHIBITOR

Title :

Crystal structure of human WEE1 kinase domain in complex with PD-166285

Release Data :

2017-08-23

Compound :

mol_id	molecule	chains	synonym
1	Wee1-like protein kinase	A	WEE1hu,Wee1A kinase
	ec: 2.7.10.2 fragment: UNP RESIDUES 291-575

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	ESCHERICHIA COLI (taxid:469008)
	gene: WEE1 expression_system_strain: BL21(DE3)-RIPL expression_system_vector_type: PLASMID expression_system_plasmid: pET28a

Authors :

Zhu, J.-Y., Schonbrunn, E.

Keywords :

KINASE DOMAIN, CELL CYCLE, WEE1, TRANSFERASE, INHIBITOR, TRANSFERASE-TRANSFERASE INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 1.9300 Å )

Citation :

Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.

Zhu, J.Y.,Cuellar, R.A.,Berndt, N. et al.
(2017) J. Med. Chem. 60 : 7863 - 7875

Chain :

UniProt :

P30291 (WEE1_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H(+)	2.7.10.2	PROSITE-ProRule:PRU10027, PubMed:7743995, PubMed:8348613, PubMed:8428596
	left-to-right	PubMed:7743995, PubMed:8348613, PubMed:8428596
Cofactor:	Evidence:	Note:
Mg(2+)	ECO:0000269 \| PubMed:15837193	Binds 2 magnesium ions per subunit.

PDB ID: 5VC5