Chlorine in PDB 6v2u: Crystal Structure of the Insect Cell-Expressed Wt-Braf Kinase in Complex with Dabrafenib

Enzymatic activity of Crystal Structure of the Insect Cell-Expressed Wt-Braf Kinase in Complex with Dabrafenib

All present enzymatic activity of Crystal Structure of the Insect Cell-Expressed Wt-Braf Kinase in Complex with Dabrafenib:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of the Insect Cell-Expressed Wt-Braf Kinase in Complex with Dabrafenib, PDB code: 6v2u was solved by K.Li, G.Gonzalez Del-Pino, E.Park, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	41.48 / 3.78
*Space group*	P 4₁ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	89.618, 89.618, 164.583, 90.00, 90.00, 90.00
*R / R_free (%)*	28.1 / 30.9

Other elements in 6v2u:

The structure of Crystal Structure of the Insect Cell-Expressed Wt-Braf Kinase in Complex with Dabrafenib also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Insect Cell-Expressed Wt-Braf Kinase in Complex with Dabrafenib (pdb code 6v2u). 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 the Insect Cell-Expressed Wt-Braf Kinase in Complex with Dabrafenib, PDB code: 6v2u:

Chlorine binding site 1 out of 1 in 6v2u

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Chlorine Binding Sites List in 6v2u

Chlorine binding site 1 out of 1 in the Crystal Structure of the Insect Cell-Expressed Wt-Braf Kinase in Complex with Dabrafenib

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 the Insect Cell-Expressed Wt-Braf Kinase in Complex with Dabrafenib within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl802 b:0.7 occ:1.00	NE1	A:TRP450	3.1	0.4	1.0
	CZ2	B:TRP450	3.4	0.5	1.0
	CG	B:ARG506	3.6	80.4	1.0
	CD	A:ARG506	3.7	89.2	1.0
	CZ2	A:TRP450	3.7	90.0	1.0
	CE2	A:TRP450	3.7	95.0	1.0
	CD	B:ARG506	3.8	79.9	1.0
	CG	A:ARG506	3.8	89.7	1.0
	NE1	B:TRP450	3.9	0.9	1.0
	CE2	B:TRP450	4.0	0.9	1.0
	NH1	B:ARG506	4.0	0.3	1.0
	CD1	A:TRP450	4.3	97.7	1.0
	CH2	B:TRP450	4.4	91.5	1.0
	NE	A:ARG506	4.7	94.0	1.0
	NE	B:ARG506	4.8	89.0	1.0
	O	B:ARG506	4.8	78.7	1.0
	CZ	B:ARG506	4.9	0.6	1.0

Reference:

K.Li, G.Gonzalez Del-Pino, E.Park, M.J.Eck. Crystal Structure of the Insect Cell-Expressed Wt-Braf Kinase in Complex with Dabrafenib To Be Published.

Page generated: Mon Jul 29 16:05:04 2024

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