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Structure paper

TitleDiscovery of a Potential Allosteric Ligand Binding Site in CDK2.
Journal, issue, pagesAcs Chem. Biol., Vol. 6, Page 492-501, Year 2011
Publish dateDec 9, 2010 (structure data deposition date)
AuthorsBetzi, S. / Alam, R. / Martin, M. / Lubbers, D.J. / Han, H. / Jakkaraj, S.R. / Georg, G.I. / Schonbrunn, E.
External linksAcs Chem. Biol. / PubMed:21291269
MethodsX-ray diffraction
Resolution1.7 - 2.05 Å
Structure data

PDB-3pxf:
CDK2 in complex with two molecules of 8-anilino-1-naphthalene sulfonate
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3pxq:
CDK2 in complex with 3 molecules of 8-anilino-1-naphthalene sulfonate
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3pxr:
Apo CDK2 crystallized from Jeffamine
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3pxy:
CDK2 in complex with inhibitor JWS648
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3pxz:
CDK2 ternary complex with JWS648 and ANS
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-3py0:
CDK2 in complex with inhibitor SU9516
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-3py1:
CDK2 ternary complex with SU9516 and ANS
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-2AN:
8-ANILINO-1-NAPHTHALENE SULFONATE

ChemComp-HOH:
WATER

ChemComp-JWS:
2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol

ChemComp-PO4:
PHOSPHATE ION

ChemComp-SU9:
(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / protein kinase / allosteric ligand / CDK2 / ANS / Jeffamine / TRANSFERASE/TRANSFERASE INHIBITOR / inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex

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