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Chlorine in PDB 4ymj: (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: A New Class of Potent and Selective Pan-Trk Inhibitors

Enzymatic activity of (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: A New Class of Potent and Selective Pan-Trk Inhibitors

All present enzymatic activity of (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: A New Class of Potent and Selective Pan-Trk Inhibitors:
2.7.10.1;

Protein crystallography data

The structure of (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: A New Class of Potent and Selective Pan-Trk Inhibitors, PDB code: 4ymj was solved by A.Kreusch, P.Rucker, V.Molteni, J.Loren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.70 / 2.00
Space group P 32
Cell size a, b, c (Å), α, β, γ (°) 65.610, 65.610, 175.622, 90.00, 90.00, 120.00
R / Rfree (%) 16.5 / 19.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: A New Class of Potent and Selective Pan-Trk Inhibitors (pdb code 4ymj). 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 (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: A New Class of Potent and Selective Pan-Trk Inhibitors, PDB code: 4ymj:

Chlorine binding site 1 out of 1 in 4ymj

Go back to Chlorine Binding Sites List in 4ymj
Chlorine binding site 1 out of 1 in the (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: A New Class of Potent and Selective Pan-Trk Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: A New Class of Potent and Selective Pan-Trk Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl905

b:34.2
occ:1.00
 NH2 A:ARG535 3.0 35.5 1.0
N A:LEU540 3.3 26.8 1.0
NH1 A:ARG535 3.6 27.6 1.0
O A:ILE538 3.6 29.0 1.0
CZ A:ARG535 3.8 36.2 1.0
CG A:LEU540 3.9 33.8 1.0
CA A:VAL539 3.9 29.7 1.0
CB A:LEU540 4.0 31.1 1.0
C A:VAL539 4.1 30.9 1.0
CA A:LEU540 4.2 30.6 1.0
CD1 A:LEU540 4.5 34.2 1.0
C A:ILE538 4.5 33.4 1.0
N A:VAL539 4.7 35.7 1.0
O A:LEU540 4.9 31.3 1.0
CG1 A:VAL539 5.0 30.7 1.0

Reference:

H.S.Choi, P.V.Rucker, Z.Wang, Y.Fan, P.Albaugh, G.Chopiuk, F.Gessier, F.Sun, F.Adrian, G.Liu, T.Hood, N.Li, Y.Jia, J.Che, S.Mccormack, A.Li, J.Li, A.Steffy, A.Culazzo, C.Tompkins, V.Phung, A.Kreusch, M.Lu, B.Hu, A.Chaudhary, M.Prashad, T.Tuntland, B.Liu, J.Harris, H.M.Seidel, J.Loren, V.Molteni. (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-Trk Inhibitors. Acs Med.Chem.Lett. V. 6 562 2015.
ISSN: ISSN 1948-5875
PubMed: 26005534
DOI: 10.1021/ACSMEDCHEMLETT.5B00050
Page generated: Fri Jul 26 04:11:42 2024

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