Bromine in PDB 1y63: Initial Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin

The structure of Initial Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin, PDB code: 1y63 was solved by M.A.Robien, W.G.J.Hol, Structural Genomics Of Pathogenic Protozoaconsortium (Sgpp), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.00 / 1.70
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	107.116, 107.116, 35.216, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 19.6

The structure of Initial Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin also contains other interesting chemical elements:

Manganese	(Mn)	8 atoms
Sodium	(Na)	2 atoms

The binding sites of Bromine atom in the Initial Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin (pdb code 1y63). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Initial Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin, PDB code: 1y63:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in the Initial Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Initial Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:18.1 occ:0.55 O A:HOH1001 3.0 13.7 1.0 O A:HOH1010 3.2 16.7 1.0 O A:HOH1005 3.3 15.5 1.0 ND1 A:HIS91 3.4 33.9 1.0 N A:HIS91 3.5 19.0 1.0 CD1 A:TYR90 3.7 20.3 1.0 CA A:TYR90 3.9 18.6 1.0 CB A:HIS91 4.1 21.5 1.0 C A:TYR90 4.1 18.8 1.0 CE A:LYS23 4.1 17.3 1.0 CG A:HIS91 4.1 24.1 1.0 CE1 A:TYR90 4.2 19.5 1.0 O A:HOH1149 4.3 47.2 1.0 CA A:HIS91 4.4 21.0 1.0 CE1 A:HIS91 4.4 26.6 1.0 O A:HOH1013 4.4 17.3 1.0 N A:GLY43 4.5 20.5 1.0 CG A:TYR90 4.6 18.3 1.0 CA A:GLY43 4.6 23.5 1.0 OD1 A:ASP89 4.7 22.2 1.0 O A:ASP89 4.7 18.3 1.0 O A:HOH1014 4.7 17.5 1.0 O A:HOH1106 4.7 37.9 1.0 N A:TYR90 4.8 17.5 1.0 CB A:TYR90 4.8 18.6 1.0 NZ A:LYS23 4.8 16.9 1.0 MN A:MN302 4.9 12.9 1.0

Bromine binding site 2 out of 5 in the Initial Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Initial Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br402 b:26.4 occ:0.25 N A:LEU161 3.2 21.9 1.0 O A:HOH1039 3.4 24.1 1.0 CA A:THR160 3.7 21.4 1.0 CB A:LEU161 3.9 22.9 1.0 CB A:THR160 3.9 21.3 1.0 C A:THR160 4.0 21.6 1.0 CA A:LEU161 4.2 20.6 1.0 C2 A:ADP301 4.2 18.3 1.0 O A:HOH1085 4.2 35.3 1.0 N1 A:ADP301 4.4 16.1 1.0 CG2 A:THR160 4.5 22.5 1.0 O A:ASP159 4.9 20.3 1.0

Bromine binding site 3 out of 5 in the Initial Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Initial Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br403 b:45.9 occ:0.55 O A:HOH1089 2.9 35.4 1.0 O A:HOH1082 3.0 34.5 1.0 N A:ASP35 3.6 27.5 1.0 CB A:LEU34 3.7 21.4 1.0 CA A:LEU34 4.1 21.6 1.0 CD1 A:LEU34 4.2 27.6 1.0 CD2 A:LEU34 4.2 31.4 1.0 CG A:LEU34 4.2 25.6 1.0 CG A:ARG172 4.2 23.9 1.0 CG1 A:VAL175 4.2 25.5 1.0 NZ A:LYS179 4.4 44.8 1.0 C A:LEU34 4.4 25.3 1.0 CB A:ASP35 4.5 30.7 1.0 NH1 A:ARG172 4.5 33.8 0.5 CA A:ASP35 4.6 27.1 1.0 CE1 A:PHE37 4.7 22.2 1.0 O A:ASP35 4.7 24.1 1.0 CE A:LYS179 4.7 41.4 1.0 CB A:VAL175 4.8 23.1 1.0 CD A:LYS179 5.0 42.4 1.0 CA A:ARG172 5.0 21.1 1.0

Bromine binding site 4 out of 5 in the Initial Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Initial Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br404 b:29.3 occ:0.20 N A:GLU41 3.2 20.0 1.0 O A:HOH1124 3.5 40.6 1.0 O A:HOH1031 3.8 22.8 1.0 CA A:LEU40 3.9 18.7 1.0 O A:GLU41 4.0 20.4 1.0 CB A:GLU41 4.0 22.4 1.0 O A:HIS39 4.0 22.1 1.0 CA A:GLU41 4.0 19.2 1.0 C A:LEU40 4.1 19.6 1.0 C A:GLU41 4.3 20.7 1.0 CD2 A:LEU45 4.5 24.8 1.0 CG A:LEU45 4.7 24.3 1.0 O A:HOH1030 4.8 22.9 1.0 C A:HIS39 4.8 20.1 1.0 N A:LEU40 4.8 19.4 1.0 CB A:LEU40 4.9 22.1 1.0 CB A:LYS44 4.9 23.4 1.0

Bromine binding site 5 out of 5 in the Initial Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Initial Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br405 b:30.5 occ:0.20 CG A:TYR123 1.5 26.8 0.8 CD2 A:TYR123 1.6 28.3 0.8 CB A:TYR123 1.7 27.9 0.8 CD1 A:TYR123 2.6 26.0 0.8 CE2 A:TYR123 2.8 22.8 0.8 CA A:TYR123 3.2 28.3 0.8 CE1 A:TYR123 3.5 25.8 0.8 CZ A:TYR123 3.6 27.5 0.8 ND2 A:ASN131 3.7 25.0 1.0 N A:ARG128 3.7 19.6 1.0 CD2 A:LEU118 3.7 26.0 1.0 CA A:ARG128 3.8 17.4 1.0 C A:LYS127 3.9 20.0 1.0 N A:TYR123 4.0 29.7 0.8 C A:TYR123 4.1 29.0 0.8 CB A:LYS127 4.1 25.1 1.0 CB A:LEU118 4.1 19.7 1.0 O A:LYS127 4.2 21.4 1.0 CB A:ARG128 4.3 17.6 1.0 CG A:LEU118 4.4 19.6 1.0 O A:LEU118 4.4 27.1 1.0 N A:SER124 4.6 28.1 1.0 O A:SER124 4.6 24.2 1.0 CA A:LYS127 4.7 21.9 1.0 CD1 A:LEU118 4.7 25.1 1.0 CA A:LEU118 4.8 19.2 1.0 O A:TYR123 4.8 28.0 0.8 MN A:MN355 4.9 37.4 0.4 OH A:TYR123 4.9 28.8 0.8 CG A:ASN131 4.9 23.4 1.0 C A:LEU118 5.0 22.5 1.0

M.A.Robien, W.G.J.Hol, Structural Genomics Of Pathogenic Protozoa Consortium (Sgpp). Crystal Structural Analysis of A Probable Kinase From Leishmania Major Friedlin To Be Published.