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PDB 6nvh-6o0v »
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Chlorine in PDB 6nzp: Crystal Structure of Tyrosine Kinase 2 JH2 (Pseudo Kinase Domain) Complexed with Compound-11 Aka 6-Cyclopropaneamido-4-{[2-Methoxy-3- (1-Methyl-1H-1,2,4-Tri Azol-3-Yl)Phenyl]Amino}-N-(?H?) Methylpyridazine-3-Carboxamide
Enzymatic activity of Crystal Structure of Tyrosine Kinase 2 JH2 (Pseudo Kinase Domain) Complexed with Compound-11 Aka 6-Cyclopropaneamido-4-{[2-Methoxy-3- (1-Methyl-1H-1,2,4-Tri Azol-3-Yl)Phenyl]Amino}-N-(?H?) Methylpyridazine-3-Carboxamide
All present enzymatic activity of Crystal Structure of Tyrosine Kinase 2 JH2 (Pseudo Kinase Domain) Complexed with Compound-11 Aka 6-Cyclopropaneamido-4-{[2-Methoxy-3- (1-Methyl-1H-1,2,4-Tri Azol-3-Yl)Phenyl]Amino}-N-(?H?) Methylpyridazine-3-Carboxamide:
2.7.10.2;
2.7.10.2;
Protein crystallography data
The structure of Crystal Structure of Tyrosine Kinase 2 JH2 (Pseudo Kinase Domain) Complexed with Compound-11 Aka 6-Cyclopropaneamido-4-{[2-Methoxy-3- (1-Methyl-1H-1,2,4-Tri Azol-3-Yl)Phenyl]Amino}-N-(?H?) Methylpyridazine-3-Carboxamide, PDB code: 6nzp
was solved by
J.A.Khan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 48.04 / 2.35 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 71.630, 66.970, 75.100, 90.00, 113.34, 90.00 |
| R / Rfree (%) | 18.9 / 23.8 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Tyrosine Kinase 2 JH2 (Pseudo Kinase Domain) Complexed with Compound-11 Aka 6-Cyclopropaneamido-4-{[2-Methoxy-3- (1-Methyl-1H-1,2,4-Tri Azol-3-Yl)Phenyl]Amino}-N-(?H?) Methylpyridazine-3-Carboxamide
(pdb code 6nzp). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Tyrosine Kinase 2 JH2 (Pseudo Kinase Domain) Complexed with Compound-11 Aka 6-Cyclopropaneamido-4-{[2-Methoxy-3- (1-Methyl-1H-1,2,4-Tri Azol-3-Yl)Phenyl]Amino}-N-(?H?) Methylpyridazine-3-Carboxamide, PDB code: 6nzp:
In total only one binding site of Chlorine was determined in the Crystal Structure of Tyrosine Kinase 2 JH2 (Pseudo Kinase Domain) Complexed with Compound-11 Aka 6-Cyclopropaneamido-4-{[2-Methoxy-3- (1-Methyl-1H-1,2,4-Tri Azol-3-Yl)Phenyl]Amino}-N-(?H?) Methylpyridazine-3-Carboxamide, PDB code: 6nzp:
Chlorine binding site 1 out of 1 in 6nzp
Go back to
Chlorine Binding Sites List in 6nzp
Chlorine binding site 1 out
of 1 in the Crystal Structure of Tyrosine Kinase 2 JH2 (Pseudo Kinase Domain) Complexed with Compound-11 Aka 6-Cyclopropaneamido-4-{[2-Methoxy-3- (1-Methyl-1H-1,2,4-Tri Azol-3-Yl)Phenyl]Amino}-N-(?H?) Methylpyridazine-3-Carboxamide
Mono view
Stereo pair view
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 Tyrosine Kinase 2 JH2 (Pseudo Kinase Domain) Complexed with Compound-11 Aka 6-Cyclopropaneamido-4-{[2-Methoxy-3- (1-Methyl-1H-1,2,4-Tri Azol-3-Yl)Phenyl]Amino}-N-(?H?) Methylpyridazine-3-Carboxamide within 5.0Å range:
|
Reference:
S.T.Wrobleski,
R.Moslin,
S.Lin,
Y.Zhang,
S.Spergel,
J.Kempson,
J.S.Tokarski,
J.Strnad,
A.Zupa-Fernandez,
L.Cheng,
D.Shuster,
K.Gillooly,
X.Yang,
E.Heimrich,
K.W.Mcintyre,
C.Chaudhry,
J.Khan,
M.Ruzanov,
J.Tredup,
D.Mulligan,
D.Xie,
H.Sun,
C.Huang,
C.D'arienzo,
N.Aranibar,
M.Chiney,
A.Chimalakonda,
W.J.Pitts,
L.Lombardo,
P.H.Carter,
J.R.Burke,
D.S.Weinstein.
Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) For the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor Bms-986165. J.Med.Chem. V. 62 8973 2019.
ISSN: ISSN 0022-2623
PubMed: 31318208
DOI: 10.1021/ACS.JMEDCHEM.9B00444
Page generated: Mon Jul 29 12:21:41 2024
ISSN: ISSN 0022-2623
PubMed: 31318208
DOI: 10.1021/ACS.JMEDCHEM.9B00444
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