Bromine in PDB 5qxy: Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A:
3.6.1.3;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A, PDB code: 5qxy was solved by M.Snee, R.Talon, D.Fowley, P.Collins, A.Nelson, C.H.Arrowsmith, C.Bountra, A.Edwards, F.Von-Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	28.06 / 1.54
*Space group*	P 6₅ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	80.966, 80.966, 140.151, 90.00, 90.00, 120.00
*R / R_free (%)*	16.3 / 17.2

Other elements in 5qxy:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A also contains other interesting chemical elements:

Fluorine

(F)

1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A (pdb code 5qxy). 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 Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A, PDB code: 5qxy:

Bromine binding site 1 out of 1 in 5qxy

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Bromine Binding Sites List in 5qxy

Bromine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br1201 b:25.9 occ:0.37	BR	A:RK71201	0.0	25.9	0.4
	C8	A:RK71201	1.9	16.9	0.4
	C7	A:RK71201	2.8	15.9	0.4
	C9	A:RK71201	2.9	16.9	0.4
	O	A:HOH1488	2.9	30.7	0.4
	CD1	A:ILE1035	3.4	15.1	0.4
	O	A:HOH1375	3.9	22.2	0.4
	CG1	A:ILE1035	4.0	14.8	0.4
	CB	A:HIS998	4.0	14.3	0.4
	C6	A:RK71201	4.1	15.6	0.4
	O	A:HOH1498	4.1	30.4	0.4
	N	A:RK71201	4.1	15.9	0.4
	O	A:ARG994	4.1	13.5	1.0
	CA	A:HIS998	4.4	13.5	0.4
	N	A:HIS998	4.5	13.1	0.4
	C5	A:RK71201	4.6	15.8	0.4
	ND1	A:HIS998	4.7	15.6	0.4
	CG	A:HIS998	4.7	14.9	0.4
	CG2	A:ILE1035	4.8	14.1	0.4
	C	A:ARG994	5.0	12.9	1.0
	CB	A:ILE1035	5.0	14.4	0.4

Reference:

M.Snee, R.Talon, D.Fowley, P.Collins, A.Nelson, C.H.Arrowsmith, C.Bountra, A.Edwards, F.Von-Delft. Pandda Analysis Group Deposition - Bromodomain of Human ATAD2 Fragment Screening To Be Published.

Page generated: Thu Jul 11 00:49:50 2024

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