Bromine in PDB 3ma6: Crystal Structure of Kinase Domain of TGCDPK1 in Presence of 3BRB-PP1

The structure of Crystal Structure of Kinase Domain of TGCDPK1 in Presence of 3BRB-PP1, PDB code: 3ma6 was solved by A.K.Wernimont, W.Qiu, M.Amani, J.D.Artz, A.A.Hassani, G.Senisterra, M.Vedadi, L.D.Sibley, S.Lourido, K.Shokat, C.Zhang, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, A.Bochkarev, R.Hui, Y.H.Lin, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.74 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.329, 145.923, 52.111, 90.00, 99.63, 90.00
R / Rfree (%)	25.5 / 28.6

The binding sites of Bromine atom in the Crystal Structure of Kinase Domain of TGCDPK1 in Presence of 3BRB-PP1 (pdb code 3ma6). 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 Crystal Structure of Kinase Domain of TGCDPK1 in Presence of 3BRB-PP1, PDB code: 3ma6:

Bromine binding site 1 out of 1 in the Crystal Structure of Kinase Domain of TGCDPK1 in Presence of 3BRB-PP1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Kinase Domain of TGCDPK1 in Presence of 3BRB-PP1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br299 b:92.3 occ:0.50 BRAV B:DXR299 0.0 92.3 0.5 CAR B:DXR299 1.9 0.0 1.0 CAQ B:DXR299 2.8 42.5 1.0 CAS B:DXR299 2.9 38.1 1.0 O B:HOH334 3.6 73.1 1.0 O B:HOH302 3.6 61.1 1.0 CD B:LYS63 3.7 91.9 1.0 O B:HOH324 3.8 62.5 1.0 CAP B:DXR299 4.2 0.7 1.0 CAT B:DXR299 4.2 64.8 1.0 CB B:LEU109 4.2 73.8 1.0 CB B:LYS63 4.3 68.8 1.0 CE B:LYS63 4.3 0.6 1.0 CD2 B:LEU109 4.4 80.9 1.0 CG B:LYS63 4.6 82.1 1.0 CAU B:DXR299 4.7 72.7 1.0 CG B:LEU109 4.8 78.5 1.0 OD1 B:ASP178 4.9 78.5 1.0

A.K.Wernimont, W.Qiu, M.Amani, J.D.Artz, A.A.Hassani, G.Senisterra, M.Vedadi, L.D.Sibley, S.Lourido, K.Shokat, C.Zhang, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, A.Bochkarev, R.Hui, Y.H.Lin. Crystal Structure of Kinase Domain of TGCDPK1 in Presence of 3BRB-PP1 To Be Published.