Atomistry » Chlorine » PDB 4zg8-4znq » 4zim
Atomistry »
  Chlorine »
    PDB 4zg8-4znq »
      4zim »

Chlorine in PDB 4zim: Crystal Structure of Janus Kinase 2 in Complex with A 9H-Carbazole-1- Carboxamide Inhibitor

Enzymatic activity of Crystal Structure of Janus Kinase 2 in Complex with A 9H-Carbazole-1- Carboxamide Inhibitor

All present enzymatic activity of Crystal Structure of Janus Kinase 2 in Complex with A 9H-Carbazole-1- Carboxamide Inhibitor:
2.7.10.2;

Protein crystallography data

The structure of Crystal Structure of Janus Kinase 2 in Complex with A 9H-Carbazole-1- Carboxamide Inhibitor, PDB code: 4zim was solved by J.S.Sack, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.46 / 2.65
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 112.390, 112.390, 70.810, 90.00, 90.00, 90.00
R / Rfree (%) 20.2 / 27.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Janus Kinase 2 in Complex with A 9H-Carbazole-1- Carboxamide Inhibitor (pdb code 4zim). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Janus Kinase 2 in Complex with A 9H-Carbazole-1- Carboxamide Inhibitor, PDB code: 4zim:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4zim

Go back to Chlorine Binding Sites List in 4zim
Chlorine binding site 1 out of 4 in the Crystal Structure of Janus Kinase 2 in Complex with A 9H-Carbazole-1- Carboxamide Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Janus Kinase 2 in Complex with A 9H-Carbazole-1- Carboxamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1201

b:34.1
occ:1.00
 CL1 A:4OK1201 0.0 34.1 1.0
C17 A:4OK1201 1.7 37.2 1.0
C4 A:4OK1201 2.7 32.9 1.0
C18 A:4OK1201 2.7 40.2 1.0
CL2 A:4OK1201 3.2 46.8 1.0
OD1 A:ASP994 3.7 25.4 1.0
CG A:ASP994 3.9 24.0 1.0
O A:HOH1362 3.9 45.5 1.0
O A:HOH1367 4.0 33.1 1.0
C1 A:4OK1201 4.0 26.3 1.0
C8 A:4OK1201 4.0 32.3 1.0
OD2 A:ASP994 4.3 30.2 1.0
CG2 A:VAL863 4.3 24.8 1.0
CE A:LYS882 4.4 16.6 1.0
CB A:ASP994 4.5 15.1 1.0
C11 A:4OK1201 4.5 24.6 1.0
NZ A:LYS882 4.6 19.9 1.0
OD1 A:ASN981 4.8 22.4 1.0

Chlorine binding site 2 out of 4 in 4zim

Go back to Chlorine Binding Sites List in 4zim
Chlorine binding site 2 out of 4 in the Crystal Structure of Janus Kinase 2 in Complex with A 9H-Carbazole-1- Carboxamide Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Janus Kinase 2 in Complex with A 9H-Carbazole-1- Carboxamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1201

b:46.8
occ:1.00
 CL2 A:4OK1201 0.0 46.8 1.0
C18 A:4OK1201 1.7 40.2 1.0
C8 A:4OK1201 2.7 32.3 1.0
C17 A:4OK1201 2.7 37.2 1.0
CL1 A:4OK1201 3.2 34.1 1.0
C A:GLY856 3.5 45.8 1.0
O A:LYS857 3.5 59.1 1.0
CA A:GLY856 3.5 37.7 1.0
N A:LYS857 3.7 48.6 1.0
O A:GLY856 4.0 43.6 1.0
C11 A:4OK1201 4.0 24.6 1.0
C4 A:4OK1201 4.0 32.9 1.0
C A:LYS857 4.2 60.6 1.0
O A:HOH1311 4.2 31.8 1.0
CA A:LYS857 4.5 51.0 1.0
C1 A:4OK1201 4.5 26.3 1.0
N A:GLY856 4.5 36.2 1.0
CG2 A:VAL863 4.6 24.8 1.0
CB A:VAL863 4.7 25.1 1.0
N A:VAL863 4.9 27.1 1.0

Chlorine binding site 3 out of 4 in 4zim

Go back to Chlorine Binding Sites List in 4zim
Chlorine binding site 3 out of 4 in the Crystal Structure of Janus Kinase 2 in Complex with A 9H-Carbazole-1- Carboxamide Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Janus Kinase 2 in Complex with A 9H-Carbazole-1- Carboxamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1201

b:36.3
occ:1.00
 CL1 B:4OK1201 0.0 36.3 1.0
C17 B:4OK1201 1.7 33.7 1.0
C4 B:4OK1201 2.7 30.3 1.0
C18 B:4OK1201 2.7 36.0 1.0
CL2 B:4OK1201 3.2 38.8 1.0
OD1 B:ASP994 3.5 26.5 1.0
O B:HOH1396 3.7 47.9 1.0
CG B:ASP994 3.9 25.5 1.0
O B:HOH1400 3.9 26.8 1.0
CE B:LYS882 3.9 17.5 1.0
C1 B:4OK1201 4.0 28.8 1.0
C8 B:4OK1201 4.0 32.5 1.0
O B:HOH1322 4.1 39.1 1.0
NZ B:LYS882 4.2 24.9 1.0
CG2 B:VAL863 4.2 19.6 1.0
OD2 B:ASP994 4.2 24.6 1.0
C11 B:4OK1201 4.5 27.9 1.0
CB B:ASP994 4.6 20.8 1.0
CD B:LYS882 4.8 14.4 1.0

Chlorine binding site 4 out of 4 in 4zim

Go back to Chlorine Binding Sites List in 4zim
Chlorine binding site 4 out of 4 in the Crystal Structure of Janus Kinase 2 in Complex with A 9H-Carbazole-1- Carboxamide Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Janus Kinase 2 in Complex with A 9H-Carbazole-1- Carboxamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1201

b:38.8
occ:1.00
 CL2 B:4OK1201 0.0 38.8 1.0
C18 B:4OK1201 1.7 36.0 1.0
C8 B:4OK1201 2.7 32.5 1.0
C17 B:4OK1201 2.7 33.7 1.0
CL1 B:4OK1201 3.2 36.3 1.0
C B:GLY856 3.4 33.0 1.0
O B:LYS857 3.5 45.1 1.0
N B:LYS857 3.6 34.8 1.0
CA B:GLY856 3.7 26.3 1.0
O B:GLY856 3.7 31.1 1.0
C B:LYS857 3.9 46.0 1.0
C11 B:4OK1201 4.0 27.9 1.0
C4 B:4OK1201 4.0 30.3 1.0
O B:HOH1392 4.1 35.6 1.0
CG2 B:VAL863 4.1 19.6 1.0
CA B:LYS857 4.2 36.5 1.0
O B:HOH1400 4.2 26.8 1.0
CB B:VAL863 4.4 21.0 1.0
C1 B:4OK1201 4.5 28.8 1.0
N B:GLY858 4.5 47.7 1.0
N B:VAL863 4.5 21.8 1.0
N B:GLY856 4.6 25.8 1.0
O B:HOH1396 4.6 47.9 1.0
O B:HOH1375 4.8 38.9 1.0
CA B:GLY858 5.0 48.7 1.0

Reference:

K.Zimmermann, X.Sang, H.A.Mastalerz, W.L.Johnson, G.Zhang, Q.Liu, D.Batt, L.J.Lombardo, D.Vyas, G.L.Trainor, J.S.Tokarski, M.V.Lorenzi, D.You, M.M.Gottardis, J.Lippy, J.Khan, J.S.Sack, A.V.Purandare. 9H-Carbazole-1-Carboxamides As Potent and Selective JAK2 Inhibitors. Bioorg.Med.Chem.Lett. V. 25 2809 2015.
ISSN: ESSN 1464-3405
PubMed: 25987372
DOI: 10.1016/J.BMCL.2015.04.101
Page generated: Fri Jul 26 04:38:41 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy