Het-PDB Navi2 (PDB: 2V22)

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Ligands
Code	Name		Style	Show	Link
C35	N~2~-{[1-(4-chlorophenyl)-5-methyl-1h-1,2,4-triazol-3-yl]carbonyl}-N~5~-(diaminomethylidene)-L-ornithyl-L-leucyl-L-isoleucyl-4-fluoro-L-phenylalaninamide				PoSSuM

Non-standard Residues
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Glycosylation
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Download interaction data: 2V22

Code :

2V22 PDBj RCSB PDB PDBe

Header :

TRANSFERASE

Title :

REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors

Release Data :

2008-01-29

Compound :

mol_id	molecule	chains	synonym
1	CELL DIVISION PROTEIN KINASE 2	A,C	P33 PROTEIN KINASE, CYCLIN-DEPENDENT KINASE 2
	ec: 2.7.1.37 other_details: TRIAZOL-1-METHYL-PYRIMIDIN INHIBITOR

mol_id	molecule	chains	synonym
2	CYCLIN-A2	B,D	CYCLIN-A
	other_details: CAP-TETRAPEPTIDE INHIBITOR

Source :

mol_id	organism_scientific	organism_common	expression_system
1	HOMO SAPIENS (taxid:9606)	HUMAN	SPODOPTERA FRUGIPERDA (taxid:7108)
	expression_system_cell_line: SF9 expression_system_vector_type: BACULOVIRUS

mol_id	organism_scientific	organism_common	expression_system
2	HOMO SAPIENS (taxid:9606)	HUMAN	ESCHERICHIA COLI (taxid:562)

Authors :

Andrews, M.J., Kontopidis, G., McInnes, C., Plater, A., Innes, L., Cowan, A., Jewsbury, P., Fischer, P.M.

Keywords :

POLYMORPHISM, CYCLIN GROOVE, CELL DIVISION, CDK2, KINASE, CYCLIN, ACTIVE, MITOSIS, INHIBITION, PHOSPHORYLATION, NUCLEOTIDE-BINDING, SERINE/THREONINE-PROTEIN KINASE, CELL CYCLE, NONPEPTIDE, TRANSFERASE, ATP-BINDING

Exp. method :

X-RAY DIFFRACTION ( 2.60 Å )

Citation :

Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors

Andrews, M.J.,Kontopidis, G.,Mcinnes, C. et al.
(2006) Chembiochem 7 : 1909

PubMed: 17051658
DOI: 10.1002/CBIC.200600189

Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design

Kontopidis, G.,Mcinnes, C.,Pandalaneni, S.R. et al.
(2006) Chem.Biol. 13 : 201

PubMed: 16492568
DOI: 10.1016/J.CHEMBIOL.2005.11.011

Chain :

A, C

UniProt :

P24941 (CDK2_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein]	2.7.11.22	PubMed:1396589, PubMed:28666995, PubMed:9030781
	-	PubMed:1396589, PubMed:28666995, PubMed:9030781
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein]	2.7.11.22	PubMed:1396589, PubMed:28666995, PubMed:9030781
	-	PubMed:1396589, PubMed:28666995, PubMed:9030781

Chain :	B, D
UniProt :	P20248 (CCNA2_HUMAN)
Reaction :	-

PDB ID: 2V22

Hetero Atom Contents

Structure summary

Reaction