Bromine in PDB 1fvt: The Structure of Cyclin-Dependent Kinase 2 (CDK2) in Complex with An Oxindole Inhibitor

All present enzymatic activity of The Structure of Cyclin-Dependent Kinase 2 (CDK2) in Complex with An Oxindole Inhibitor:
2.7.1.37;

The structure of The Structure of Cyclin-Dependent Kinase 2 (CDK2) in Complex with An Oxindole Inhibitor, PDB code: 1fvt was solved by S.T.Davis, B.G.Benson, H.N.Bramson, D.E.Chapman, S.H.Dickerson, K.M.Dold, D.J.Eberwein, M.Edelstein, S.V.Frye, R.T.Gampe Jr., R.J.Griffin, P.A.Harris, A.M.Hassell, W.D.Holmes, R.N.Hunter, V.B.Knick, K.Lackey, B.Lovejoy, M.J.Luzzio, D.Murray, P.Parker, W.J.Rocque, L.Shewchuk, J.M.Veal, D.H.Walker, L.K.Kuyper, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.142, 72.711, 72.933, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 23.2

The binding sites of Bromine atom in the The Structure of Cyclin-Dependent Kinase 2 (CDK2) in Complex with An Oxindole Inhibitor (pdb code 1fvt). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the The Structure of Cyclin-Dependent Kinase 2 (CDK2) in Complex with An Oxindole Inhibitor, PDB code: 1fvt:

Bromine binding site 1 out of 1 in the The Structure of Cyclin-Dependent Kinase 2 (CDK2) in Complex with An Oxindole Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Structure of Cyclin-Dependent Kinase 2 (CDK2) in Complex with An Oxindole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Br299 b:60.1 occ:1.00 BR4 A:106299 0.0 60.1 1.0 C5 A:106299 1.9 55.3 1.0 C6 A:106299 2.9 54.5 1.0 C4 A:106299 2.9 53.6 1.0 OD1 A:ASP145 3.1 44.9 1.0 OD2 A:ASP145 3.2 43.6 1.0 CG A:ASP145 3.3 43.5 1.0 CE A:LYS33 3.8 47.2 1.0 CG2 A:VAL18 4.2 43.9 1.0 CD A:LYS33 4.2 46.5 1.0 C7 A:106299 4.2 52.5 1.0 C9 A:106299 4.2 51.9 1.0 CB A:ASP145 4.3 42.2 1.0 N A:ASP145 4.6 37.2 1.0 CA A:ASP145 4.7 41.2 1.0 C8 A:106299 4.8 51.8 1.0 CB A:ALA144 4.8 30.9 1.0 CG A:LYS33 4.9 45.0 1.0 NZ A:LYS33 5.0 47.8 1.0

S.T.Davis, B.G.Benson, H.N.Bramson, D.E.Chapman, S.H.Dickerson, K.M.Dold, D.J.Eberwein, M.Edelstein, S.V.Frye, R.T.Gampe Jr, R.J.Griffin, P.A.Harris, A.M.Hassell, W.D.Holmes, R.N.Hunter, V.B.Knick, K.Lackey, B.Lovejoy, M.J.Luzzio, D.Murray, P.Parker, W.J.Rocque, L.Shewchuk, J.M.Veal, D.H.Walker, L.F.Kuyper. Prevention of Chemotherapy-Induced Alopecia in Rats By Cdk Inhibitors. Science V. 291 134 2001.
ISSN: ISSN 0036-8075
PubMed: 11141566
DOI: 10.1126/SCIENCE.291.5501.134