Bromine in PDB 3dj7: Crystal Structure of the Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 130.

Enzymatic activity of Crystal Structure of the Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 130.

All present enzymatic activity of Crystal Structure of the Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 130.:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of the Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 130., PDB code: 3dj7 was solved by R.A.Elling, W.Yang, D.A.Erlanson, B.T.Tangonan, S.K.Hansen, M.J.Romanowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	22.83 / 2.80
*Space group*	P 6₁ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	82.750, 82.750, 169.728, 90.00, 90.00, 120.00
*R / R_free (%)*	26.6 / 29.6

Other elements in 3dj7:

The structure of Crystal Structure of the Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 130. also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 130. (pdb code 3dj7). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of the Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 130., PDB code: 3dj7:

Bromine binding site 1 out of 1 in 3dj7

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Bromine Binding Sites List in 3dj7

Bromine binding site 1 out of 1 in the Crystal Structure of the Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 130.

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 130. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br1 b:69.9 occ:1.00	BR30	A:AK71	0.0	69.9	1.0
	C1	A:AK71	1.9	70.3	1.0
	C2	A:AK71	2.8	70.5	1.0
	C6	A:AK71	2.9	70.1	1.0
	N29	A:AK71	3.0	70.4	1.0
	N7	A:AK71	3.1	69.7	1.0
	O	A:LEU152	3.8	77.3	1.0
	CD2	A:LEU276	4.1	53.7	1.0
	N3	A:AK71	4.1	70.3	1.0
	N5	A:AK71	4.1	70.2	1.0
	CG2	A:THR230	4.2	55.6	1.0
	CB	A:LEU152	4.2	71.2	1.0
	O	A:HOH433	4.2	58.7	1.0
	C	A:LEU152	4.3	76.3	1.0
	C8	A:AK71	4.6	70.2	1.0
	C4	A:AK71	4.6	70.2	1.0
	CB	A:VAL160	4.8	60.2	1.0
	N	A:GLY153	4.8	79.7	1.0
	CG1	A:VAL160	4.8	59.1	1.0
	CA	A:LEU152	4.9	72.9	1.0
	CG2	A:VAL160	4.9	59.5	1.0
	CA	A:GLY153	5.0	84.2	1.0

Reference:

R.A.Elling, W.Yang, D.A.Erlanson, B.T.Tangonan, S.K.Hansen, M.J.Romanowski. New Fragment-Based Drug Discovery To Be Published.

Page generated: Wed Jul 10 19:17:27 2024

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