Fluorine in PDB 3a4p: Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor

Enzymatic activity of Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor

All present enzymatic activity of Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor:
2.7.10.1;

Protein crystallography data

The structure of Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor, PDB code: 3a4p was solved by T.A.Fukami, S.Kadono, M.Yamamuro, T.Matsuura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	44.86 / 2.54
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	157.227, 42.733, 46.039, 90.00, 102.91, 90.00
*R / R_free (%)*	18.3 / 24

Other elements in 3a4p:

The structure of Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor (pdb code 3a4p). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor, PDB code: 3a4p:

Fluorine binding site 1 out of 1 in 3a4p

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Fluorine Binding Sites List in 3a4p

Fluorine binding site 1 out of 1 in the Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F1362 b:38.0 occ:1.00	F25	A:DFQ1362	0.0	38.0	1.0
	C24	A:DFQ1362	1.4	36.5	1.0
	C26	A:DFQ1362	2.3	35.1	1.0
	C22	A:DFQ1362	2.4	35.8	1.0
	CL23	A:DFQ1362	2.9	42.2	1.0
	CB	A:ALA1221	3.2	10.6	1.0
	N	A:ASP1222	3.6	13.6	1.0
	CB	A:ASP1222	3.6	15.4	1.0
	C27	A:DFQ1362	3.6	32.9	1.0
	O	A:ASN1209	3.6	12.1	1.0
	CA	A:ASN1209	3.7	12.2	1.0
	C21	A:DFQ1362	3.7	33.8	1.0
	C	A:ASN1209	3.8	12.7	1.0
	CA	A:ASP1222	4.0	15.8	1.0
	C	A:ALA1221	4.1	12.5	1.0
	C28	A:DFQ1362	4.1	31.6	1.0
	OD1	A:ASN1209	4.1	12.1	1.0
	CB	A:ASN1209	4.3	12.1	1.0
	CA	A:ALA1221	4.3	11.2	1.0
	O	A:ARG1208	4.3	11.9	1.0
	SD	A:MET1211	4.3	22.2	1.0
	CG	A:MET1211	4.5	14.5	1.0
	CG	A:ASN1209	4.6	12.7	1.0
	N	A:CYS1210	4.7	12.1	1.0
	CG	A:ASP1222	4.7	17.9	1.0
	O	A:ALA1221	4.8	12.0	1.0
	N	A:ASN1209	4.8	11.6	1.0
	OD1	A:ASP1222	5.0	18.2	1.0

Reference:

H.Nishii, T.Chiba, K.Morikami, T.A.Fukami, H.Sakamoto, K.Ko, H.Koyano. Discovery of 6-Benzyloxyquinolines As C-Met Selective Kinase Inhibitors Bioorg.Med.Chem.Lett. V. 20 1405 2010.
ISSN: ISSN 0960-894X
PubMed: 20093027
DOI: 10.1016/J.BMCL.2009.12.109

Page generated: Mon Jul 14 15:10:19 2025

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