Bromine in PDB 7p1l: The MARK3 Kinase Domain Bound to Aa-Cs-1-008

All present enzymatic activity of The MARK3 Kinase Domain Bound to Aa-Cs-1-008:
2.7.11.1;

The structure of The MARK3 Kinase Domain Bound to Aa-Cs-1-008, PDB code: 7p1l was solved by V.Dederer, F.Preuss, D.Chatterjee, A.Vlassova, S.Mathea, A.Axtman, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.87 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.989, 95.733, 68.579, 90, 91.98, 90
R / Rfree (%)	21 / 24.2

The binding sites of Bromine atom in the The MARK3 Kinase Domain Bound to Aa-Cs-1-008 (pdb code 7p1l). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the The MARK3 Kinase Domain Bound to Aa-Cs-1-008, PDB code: 7p1l:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the The MARK3 Kinase Domain Bound to Aa-Cs-1-008


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The MARK3 Kinase Domain Bound to Aa-Cs-1-008 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:37.1 occ:1.00 BR A:V5E401 0.0 37.1 1.0 C A:V5E401 1.9 28.8 1.0 C1 A:V5E401 2.8 23.8 1.0 C14 A:V5E401 2.9 28.1 1.0 N4 A:V5E401 3.1 29.2 1.0 O A:HOH550 3.1 36.2 1.0 SD A:MET132 3.4 37.9 1.0 CG A:MET132 3.9 24.6 1.0 CB A:ALA83 3.9 26.9 1.0 N A:V5E401 4.1 25.6 1.0 N3 A:V5E401 4.1 27.9 1.0 CG1 A:VAL116 4.2 26.8 1.0 O A:GLU133 4.2 25.4 1.0 CG1 A:VAL70 4.4 27.5 1.0 C2 A:V5E401 4.5 25.2 1.0 C15 A:V5E401 4.5 35.5 1.0 CB A:ALA195 4.6 31.9 1.0 CE A:MET132 4.8 30.6 1.0 CG2 A:VAL116 4.9 24.8 1.0 CD1 A:LEU185 4.9 26.7 1.0

Bromine binding site 2 out of 2 in the The MARK3 Kinase Domain Bound to Aa-Cs-1-008


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The MARK3 Kinase Domain Bound to Aa-Cs-1-008 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br401 b:41.5 occ:1.00 BR B:V5E401 0.0 41.5 1.0 C B:V5E401 1.9 28.8 1.0 C1 B:V5E401 2.9 27.4 1.0 C14 B:V5E401 2.9 28.0 1.0 N4 B:V5E401 3.1 27.7 1.0 O B:HOH548 3.5 31.9 1.0 SD B:MET132 3.5 30.9 1.0 CG B:MET132 3.8 23.8 1.0 CB B:ALA83 3.8 23.0 1.0 N3 B:V5E401 4.1 25.9 1.0 N B:V5E401 4.1 27.6 1.0 CG1 B:VAL116 4.2 25.8 1.0 O B:GLU133 4.4 25.1 1.0 CG1 B:VAL70 4.4 24.9 1.0 C15 B:V5E401 4.5 34.6 1.0 C2 B:V5E401 4.5 27.1 1.0 CB B:ALA195 4.7 26.2 1.0 O B:HOH550 4.7 33.1 1.0 CG2 B:VAL116 4.8 26.3 1.0 CE B:MET132 4.9 27.8 1.0 CD1 B:LEU185 5.0 24.5 1.0 CG2 B:VAL70 5.0 29.2 1.0

V.Dederer, F.Preuss, D.Chatterjee, A.Vlassova, S.Mathea, A.Axtman, S.Knapp. The MARK3 Kinase Domain Bound to Aa-Cs-1-008 To Be Published.