Chlorine in PDB 3v5q: Discovery of A Selective Trk Inhibitor with Efficacy in Rodent Cancer Tumor Models

Enzymatic activity of Discovery of A Selective Trk Inhibitor with Efficacy in Rodent Cancer Tumor Models

All present enzymatic activity of Discovery of A Selective Trk Inhibitor with Efficacy in Rodent Cancer Tumor Models:
2.7.10.1;

Protein crystallography data

The structure of Discovery of A Selective Trk Inhibitor with Efficacy in Rodent Cancer Tumor Models, PDB code: 3v5q was solved by A.Kreusch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	40.95 / 2.20
*Space group*	P 3₂
*Cell size a, b, c (Å), α, β, γ (°)*	65.580, 65.580, 177.252, 90.00, 90.00, 120.00
*R / R_free (%)*	21.2 / 26.4

Other elements in 3v5q:

The structure of Discovery of A Selective Trk Inhibitor with Efficacy in Rodent Cancer Tumor Models also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Discovery of A Selective Trk Inhibitor with Efficacy in Rodent Cancer Tumor Models (pdb code 3v5q). 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 Discovery of A Selective Trk Inhibitor with Efficacy in Rodent Cancer Tumor Models, PDB code: 3v5q:

Chlorine binding site 1 out of 1 in 3v5q

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Chlorine Binding Sites List in 3v5q

Chlorine binding site 1 out of 1 in the Discovery of A Selective Trk Inhibitor with Efficacy in Rodent Cancer Tumor Models

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Discovery of A Selective Trk Inhibitor with Efficacy in Rodent Cancer Tumor Models within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl901 b:44.9 occ:1.00	N	A:LEU540	3.3	29.9	1.0
	NH2	A:ARG535	3.3	39.3	1.0
	NH1	A:ARG535	3.7	39.4	1.0
	O	A:ILE538	3.7	37.1	1.0
	CA	A:VAL539	3.9	32.9	1.0
	CG	A:LEU540	3.9	41.5	1.0
	CZ	A:ARG535	4.0	42.1	1.0
	CB	A:LEU540	4.0	41.2	1.0
	C	A:VAL539	4.1	37.4	1.0
	CA	A:LEU540	4.2	39.0	1.0
	C	A:ILE538	4.5	41.5	1.0
	CD1	A:LEU540	4.5	44.4	1.0
	N	A:VAL539	4.7	36.8	1.0
	CG1	A:VAL539	4.7	39.9	1.0
	O	A:LEU540	4.8	45.2	1.0
	CB	A:VAL539	4.8	38.2	1.0

Reference:

P.Albaugh, Y.Fan, Y.Mi, F.Sun, F.Adrian, N.Li, Y.Jia, Y.Sarkisova, A.Kreusch, T.Hood, M.Lu, G.Liu, S.Huang, Z.Liu, J.Loren, T.Tuntland, D.S.Karanewsky, H.M.Seidel, V.Molteni. Discovery of Gnf-5837, A Selective Trk Inhibitor with Efficacy in Rodent Cancer Tumor Models. Acs Med Chem Lett V. 3 140 2012.
ISSN: ISSN 1948-5875
PubMed: 24900443
DOI: 10.1021/ML200261D

Page generated: Sun Jul 21 06:44:07 2024

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