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Bromine in PDB 7ovk: Protein Kinase MKK7 in Complex with 5-Bromo-2-Hydroxyphenyl- Substituted Pyrazolopyrimidine

Enzymatic activity of Protein Kinase MKK7 in Complex with 5-Bromo-2-Hydroxyphenyl- Substituted Pyrazolopyrimidine

All present enzymatic activity of Protein Kinase MKK7 in Complex with 5-Bromo-2-Hydroxyphenyl- Substituted Pyrazolopyrimidine:
2.7.12.2;

Protein crystallography data

The structure of Protein Kinase MKK7 in Complex with 5-Bromo-2-Hydroxyphenyl- Substituted Pyrazolopyrimidine, PDB code: 7ovk was solved by S.Kleinboelting, M.Buehrmann, M.P.Mueller, D.Rauh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.47 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.08, 68.09, 85.08, 90, 90, 90
R / Rfree (%) 21.5 / 24.4

Bromine Binding Sites:

The binding sites of Bromine atom in the Protein Kinase MKK7 in Complex with 5-Bromo-2-Hydroxyphenyl- Substituted Pyrazolopyrimidine (pdb code 7ovk). 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 Protein Kinase MKK7 in Complex with 5-Bromo-2-Hydroxyphenyl- Substituted Pyrazolopyrimidine, PDB code: 7ovk:

Bromine binding site 1 out of 1 in 7ovk

Go back to Bromine Binding Sites List in 7ovk
Bromine binding site 1 out of 1 in the Protein Kinase MKK7 in Complex with 5-Bromo-2-Hydroxyphenyl- Substituted Pyrazolopyrimidine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Protein Kinase MKK7 in Complex with 5-Bromo-2-Hydroxyphenyl- Substituted Pyrazolopyrimidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br502

b:80.5
occ:1.00
BR15 A:2I5502 0.0 80.5 1.0
C14 A:2I5502 1.9 85.1 1.0
C13 A:2I5502 2.9 81.0 1.0
C16 A:2I5502 2.9 79.2 1.0
CA A:LEU183 3.6 54.1 1.0
N A:LEU183 3.7 60.3 1.0
CB A:LEU183 3.7 51.0 1.0
CD1 A:LEU183 4.0 51.0 1.0
CD1 A:ILE210 4.1 44.3 1.0
C12 A:2I5502 4.2 85.0 1.0
C17 A:2I5502 4.2 87.3 1.0
C A:ASP182 4.2 62.7 1.0
CG2 A:ILE210 4.2 41.6 1.0
O A:ILE179 4.3 54.2 1.0
CG2 A:VAL186 4.5 61.8 1.0
CG A:LEU183 4.5 57.3 1.0
O A:ASP182 4.5 61.0 1.0
CB A:ASP182 4.5 65.0 1.0
SD A:MET212 4.6 54.6 1.0
C18 A:2I5502 4.7 85.5 1.0
CB A:VAL186 4.8 57.9 1.0
CD A:LYS165 4.9 69.4 1.0
CB A:ILE210 5.0 42.3 1.0

Reference:

P.Gehrtz, S.Marom, M.Buhrmann, J.Hardick, S.Kleinbolting, A.Shraga, C.Dubiella, R.Gabizon, J.N.Wiese, M.P.Muller, G.Cohen, I.Babaev, K.Shurrush, L.Avram, E.Resnick, H.Barr, D.Rauh, N.London. Optimization of Covalent MKK7 Inhibitors Via Crude Nanomole-Scale Libraries. J.Med.Chem. V. 65 10341 2022.
ISSN: ISSN 0022-2623
PubMed: 35912476
DOI: 10.1021/ACS.JMEDCHEM.1C02206
Page generated: Thu Jul 11 04:17:57 2024

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