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Bromine in PDB 4bky: Crystal Structure of Unphosphorylated Maternal Embryonic Leucine Zipper Kinase (Melk) in Complex with Pyrrolopyrazole Inhibitor

Enzymatic activity of Crystal Structure of Unphosphorylated Maternal Embryonic Leucine Zipper Kinase (Melk) in Complex with Pyrrolopyrazole Inhibitor

All present enzymatic activity of Crystal Structure of Unphosphorylated Maternal Embryonic Leucine Zipper Kinase (Melk) in Complex with Pyrrolopyrazole Inhibitor:
2.7.10.2; 2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Unphosphorylated Maternal Embryonic Leucine Zipper Kinase (Melk) in Complex with Pyrrolopyrazole Inhibitor, PDB code: 4bky was solved by G.Canevari, S.Re Depaolini, U.Cucchi, B.Forte, P.Carpinelli, J.A.Bertrand, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 52.72 / 1.83
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.979, 64.266, 92.649, 90.00, 90.00, 90.00
R / Rfree (%) 20.291 / 22.293

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Unphosphorylated Maternal Embryonic Leucine Zipper Kinase (Melk) in Complex with Pyrrolopyrazole Inhibitor (pdb code 4bky). 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 Unphosphorylated Maternal Embryonic Leucine Zipper Kinase (Melk) in Complex with Pyrrolopyrazole Inhibitor, PDB code: 4bky:

Bromine binding site 1 out of 1 in 4bky

Go back to Bromine Binding Sites List in 4bky
Bromine binding site 1 out of 1 in the Crystal Structure of Unphosphorylated Maternal Embryonic Leucine Zipper Kinase (Melk) in Complex with Pyrrolopyrazole Inhibitor


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 Unphosphorylated Maternal Embryonic Leucine Zipper Kinase (Melk) in Complex with Pyrrolopyrazole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1334

b:41.3
occ:1.00
 BR A:82B1334 0.0 41.3 1.0
C14 A:82B1334 2.0 33.4 1.0
C15 A:82B1334 2.9 32.6 1.0
C13 A:82B1334 3.0 30.0 1.0
O A:PRO90 3.4 29.0 1.0
OH A:TYR88 3.9 29.0 1.0
N16 A:82B1334 4.0 31.6 1.0
C11 A:82B1334 4.1 28.9 1.0
C A:PRO90 4.1 29.9 1.0
N A:GLY92 4.3 28.9 1.0
O A:HOH2014 4.6 44.4 1.0
CA A:GLY92 4.6 27.1 1.0
CA A:PRO90 4.7 27.9 1.0
C A:GLY91 4.9 29.2 1.0
CZ A:TYR88 5.0 28.2 1.0
N A:GLY91 5.0 29.6 1.0

Reference:

G.Canevari, S.Re Depaolini, U.Cucchi, J.A.Bertrand, E.Casale, C.Perrera, B.Forte, P.Carpinelli, E.R.Felder. Structural Insight Into Maternal Embryonic Leucine Zipper Kinase (Melk) Conformation and Inhibition Towards Structure- Based Drug Design. Biochemistry V. 52 6380 2013.
ISSN: ISSN 0006-2960
PubMed: 23914841
DOI: 10.1021/BI4005864
Page generated: Sat Dec 12 02:18:20 2020

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