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Chlorine in PDB 2waj: Crystal Structure of Human JNK3 Complexed with A 1-Aryl-3,4- Dihydroisoquinoline Inhibitor

Enzymatic activity of Crystal Structure of Human JNK3 Complexed with A 1-Aryl-3,4- Dihydroisoquinoline Inhibitor

All present enzymatic activity of Crystal Structure of Human JNK3 Complexed with A 1-Aryl-3,4- Dihydroisoquinoline Inhibitor:
2.7.11.24;

Protein crystallography data

The structure of Crystal Structure of Human JNK3 Complexed with A 1-Aryl-3,4- Dihydroisoquinoline Inhibitor, PDB code: 2waj was solved by B.D.Bax, J.A.Christopher, E.J.Jones, J.E.Mosley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.659, 71.339, 107.541, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 26.4

Other elements in 2waj:

The structure of Crystal Structure of Human JNK3 Complexed with A 1-Aryl-3,4- Dihydroisoquinoline Inhibitor also contains other interesting chemical elements:

Bromine (Br) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human JNK3 Complexed with A 1-Aryl-3,4- Dihydroisoquinoline Inhibitor (pdb code 2waj). 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 Human JNK3 Complexed with A 1-Aryl-3,4- Dihydroisoquinoline Inhibitor, PDB code: 2waj:

Chlorine binding site 1 out of 1 in 2waj

Go back to Chlorine Binding Sites List in 2waj
Chlorine binding site 1 out of 1 in the Crystal Structure of Human JNK3 Complexed with A 1-Aryl-3,4- Dihydroisoquinoline 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 Human JNK3 Complexed with A 1-Aryl-3,4- Dihydroisoquinoline Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1401

b:42.0
occ:1.00
 CL A:SNB1401 0.0 42.0 1.0
C16 A:SNB1401 1.8 38.5 1.0
C2 A:SNB1401 2.7 39.8 1.0
C15 A:SNB1401 2.8 42.7 1.0
O A:SNB1401 3.0 40.8 1.0
O A:GLU147 3.4 52.1 1.0
N A:MET149 3.4 52.8 1.0
CG A:MET149 3.4 51.4 1.0
CE A:MET146 3.6 54.2 1.0
CB A:ALA91 3.7 43.2 1.0
CB A:MET149 3.7 54.7 1.0
SD A:MET146 3.8 50.9 1.0
CA A:LEU148 4.0 51.5 1.0
CG A:MET146 4.0 43.4 1.0
C A:LEU148 4.0 53.0 1.0
C14 A:SNB1401 4.0 39.9 1.0
C3 A:SNB1401 4.1 37.7 1.0
CA A:MET149 4.2 53.7 1.0
C1 A:SNB1401 4.4 41.2 1.0
C A:GLU147 4.4 52.2 1.0
CG2 A:VAL196 4.5 34.2 1.0
CD1 A:LEU148 4.5 41.7 1.0
C4 A:SNB1401 4.6 41.0 1.0
N A:LEU148 4.7 51.9 1.0
CD2 A:LEU206 5.0 40.2 1.0
CA A:ALA91 5.0 45.1 1.0
CB A:VAL196 5.0 45.8 1.0

Reference:

J.A.Christopher, F.L.Atkinson, B.D.Bax, M.J.Brown, A.C.Champigny, T.T.Chuang, E.J.Jones, J.E.Mosley, J.R.Musgrave. 1-Aryl-3,4-Dihydroisoquinoline Inhibitors of JNK3. Bioorg.Med.Chem.Lett. V. 19 2230 2009.
ISSN: ISSN 0960-894X
PubMed: 19303774
DOI: 10.1016/J.BMCL.2009.02.098
Page generated: Sat Jul 20 12:38:31 2024

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