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Chlorine in PDB 5hes: Human Leucine Zipper- and Sterile Alpha Motif-Containing Kinase (Zak, Mlt, Hccs-4, Mrk, Azk, Mltk) in Complex with Vemurafenib

Enzymatic activity of Human Leucine Zipper- and Sterile Alpha Motif-Containing Kinase (Zak, Mlt, Hccs-4, Mrk, Azk, Mltk) in Complex with Vemurafenib

All present enzymatic activity of Human Leucine Zipper- and Sterile Alpha Motif-Containing Kinase (Zak, Mlt, Hccs-4, Mrk, Azk, Mltk) in Complex with Vemurafenib:
2.7.11.25;

Protein crystallography data

The structure of Human Leucine Zipper- and Sterile Alpha Motif-Containing Kinase (Zak, Mlt, Hccs-4, Mrk, Azk, Mltk) in Complex with Vemurafenib, PDB code: 5hes was solved by S.Mathea, E.Salah, K.R.Abdul Azeez, C.Tallant, M.Szklarz, A.Chaikuad, B.Shrestha, F.J.Sorrell, J.M.Elkins, L.Shrestha, N.Burgess-Brown, F.Vondelft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 78.70 / 2.14
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 78.712, 78.712, 133.345, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 22.6

Other elements in 5hes:

The structure of Human Leucine Zipper- and Sterile Alpha Motif-Containing Kinase (Zak, Mlt, Hccs-4, Mrk, Azk, Mltk) in Complex with Vemurafenib also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Leucine Zipper- and Sterile Alpha Motif-Containing Kinase (Zak, Mlt, Hccs-4, Mrk, Azk, Mltk) in Complex with Vemurafenib (pdb code 5hes). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Leucine Zipper- and Sterile Alpha Motif-Containing Kinase (Zak, Mlt, Hccs-4, Mrk, Azk, Mltk) in Complex with Vemurafenib, PDB code: 5hes:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5hes

Go back to Chlorine Binding Sites List in 5hes
Chlorine binding site 1 out of 2 in the Human Leucine Zipper- and Sterile Alpha Motif-Containing Kinase (Zak, Mlt, Hccs-4, Mrk, Azk, Mltk) in Complex with Vemurafenib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Leucine Zipper- and Sterile Alpha Motif-Containing Kinase (Zak, Mlt, Hccs-4, Mrk, Azk, Mltk) in Complex with Vemurafenib within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:45.8
occ:1.00
 CL13 A:032401 0.0 45.8 1.0
C10 A:032401 1.8 46.5 1.0
C11 A:032401 2.7 39.4 1.0
C09 A:032401 2.7 41.5 1.0
O A:HOH523 3.3 52.2 1.0
O A:HOH532 3.3 40.1 1.0
OD2 A:ASP92 3.4 29.4 1.0
CA A:GLY23 3.5 23.9 1.0
N A:GLY23 3.5 25.2 1.0
CE2 A:PHE27 3.6 39.8 1.0
O A:HOH555 3.7 45.2 1.0
OE1 B:GLU288 3.9 48.8 1.0
O A:HOH590 4.0 58.1 1.0
C12 A:032401 4.0 46.2 1.0
C08 A:032401 4.0 41.0 1.0
CD2 A:PHE27 4.2 39.1 1.0
C A:CYS22 4.3 22.9 1.0
CZ A:PHE27 4.4 37.5 1.0
C07 A:032401 4.5 38.4 1.0
CG A:ASP92 4.6 25.7 1.0
CB A:CYS22 4.8 23.5 1.0
CA A:CYS22 4.9 20.7 1.0
O A:CYS22 4.9 25.2 1.0
C A:GLY23 5.0 22.4 1.0

Chlorine binding site 2 out of 2 in 5hes

Go back to Chlorine Binding Sites List in 5hes
Chlorine binding site 2 out of 2 in the Human Leucine Zipper- and Sterile Alpha Motif-Containing Kinase (Zak, Mlt, Hccs-4, Mrk, Azk, Mltk) in Complex with Vemurafenib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Leucine Zipper- and Sterile Alpha Motif-Containing Kinase (Zak, Mlt, Hccs-4, Mrk, Azk, Mltk) in Complex with Vemurafenib within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:45.1
occ:1.00
 CL13 B:032401 0.0 45.1 1.0
C10 B:032401 1.8 50.0 1.0
C11 B:032401 2.7 41.2 1.0
C09 B:032401 2.7 45.0 1.0
O B:HOH556 3.4 45.7 1.0
CA B:GLY23 3.5 35.2 1.0
N B:GLY23 3.5 32.1 1.0
O B:HOH583 3.6 49.3 1.0
OD2 B:ASP92 3.6 29.9 1.0
O B:HOH535 3.7 43.6 1.0
CE1 B:PHE27 3.8 61.5 1.0
C12 B:032401 4.0 48.0 1.0
C08 B:032401 4.0 46.3 1.0
CD1 B:PHE27 4.3 62.4 1.0
C B:CYS22 4.4 28.0 1.0
CZ B:PHE27 4.5 59.6 1.0
C07 B:032401 4.5 42.2 1.0
CG B:ASP92 4.9 25.3 1.0
C B:GLY23 5.0 32.2 1.0
CB B:CYS22 5.0 24.6 1.0

Reference:

S.Mathea, K.R.Abdul Azeez, E.Salah, C.Tallant, F.Wolfreys, R.Konietzny, R.Fischer, H.J.Lou, P.E.Brennan, G.Schnapp, A.Pautsch, B.M.Kessler, B.E.Turk, S.Knapp. Structure of the Human Protein Kinase Zak in Complex with Vemurafenib. Acs Chem.Biol. V. 11 1595 2016.
ISSN: ESSN 1554-8937
PubMed: 26999302
DOI: 10.1021/ACSCHEMBIO.6B00043
Page generated: Sat Dec 12 11:48:22 2020

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