Chlorine in PDB 5hi2: Braf Kinase Domain B3AC Loop Deletion Mutant in Complex with Sorafenib

Enzymatic activity of Braf Kinase Domain B3AC Loop Deletion Mutant in Complex with Sorafenib

All present enzymatic activity of Braf Kinase Domain B3AC Loop Deletion Mutant in Complex with Sorafenib:
2.7.11.1;

Protein crystallography data

The structure of Braf Kinase Domain B3AC Loop Deletion Mutant in Complex with Sorafenib, PDB code: 5hi2 was solved by D.M.Whalen, S.A.Foster, A.Ozen, M.Wongchenko, J.Yin, G.Schaefer, J.Mayfield, J.Chmielecki, P.Stephens, L.Albacker, Y.Yan, K.Song, G.Hatzivassiliou, C.Eigenbrot, C.Yu, A.S.Shaw, G.Manning, N.J.Skelton, S.G.Hymowitz, S.Malek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	45.56 / 2.51
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	49.625, 114.920, 101.544, 90.00, 90.00, 90.00
*R / R_free (%)*	18.5 / 23.7

Other elements in 5hi2:

The structure of Braf Kinase Domain B3AC Loop Deletion Mutant in Complex with Sorafenib also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Braf Kinase Domain B3AC Loop Deletion Mutant in Complex with Sorafenib (pdb code 5hi2). 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 Braf Kinase Domain B3AC Loop Deletion Mutant in Complex with Sorafenib, PDB code: 5hi2:

Chlorine binding site 1 out of 1 in 5hi2

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Chlorine Binding Sites List in 5hi2

Chlorine binding site 1 out of 1 in the Braf Kinase Domain B3AC Loop Deletion Mutant in Complex with Sorafenib

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Braf Kinase Domain B3AC Loop Deletion Mutant in Complex with Sorafenib within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl801 b:37.6 occ:1.00	CL11	A:BAX801	0.0	37.6	1.0
	C5	A:BAX801	1.7	18.4	1.0
	C6	A:BAX801	2.7	19.3	1.0
	C4	A:BAX801	2.7	14.6	1.0
	F10	A:BAX801	2.9	26.5	1.0
	C7	A:BAX801	3.0	27.3	1.0
	F9	A:BAX801	3.0	28.1	1.0
	CG1	A:VAL504	3.7	36.9	1.0
	CG2	A:ILE572	3.9	27.8	1.0
	C1	A:BAX801	3.9	23.2	1.0
	C3	A:BAX801	4.0	16.4	1.0
	CD2	A:HIS574	4.3	21.7	1.0
	F8	A:BAX801	4.4	34.0	1.0
	CA	A:HIS574	4.4	24.7	1.0
	C2	A:BAX801	4.4	18.6	1.0
	CG	A:HIS574	4.6	22.4	1.0
	CD1	A:LEU567	4.7	22.3	1.0
	O	A:HIS574	4.7	26.9	1.0
	CD2	A:LEU567	4.8	24.6	1.0
	NE2	A:HIS574	4.8	23.1	1.0
	O	A:ILE573	4.9	28.3	1.0
	CB	A:VAL504	4.9	37.3	1.0
	CB	A:HIS574	4.9	22.9	1.0

Reference:

S.A.Foster, D.M.Whalen, A.Ozen, M.J.Wongchenko, J.Yin, I.Yen, G.Schaefer, J.D.Mayfield, J.Chmielecki, P.J.Stephens, L.A.Albacker, Y.Yan, K.Song, G.Hatzivassiliou, C.Eigenbrot, C.Yu, A.S.Shaw, G.Manning, N.J.Skelton, S.G.Hymowitz, S.Malek. Activation Mechanism of Oncogenic Deletion Mutations in Braf, Egfr, and HER2. Cancer Cell V. 29 477 2016.
ISSN: ISSN 1535-6108
PubMed: 26996308
DOI: 10.1016/J.CCELL.2016.02.010

Page generated: Fri Jul 26 08:50:43 2024

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