Bromine in PDB 5s9x: Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917:
1.8.1.12;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917, PDB code: 5s9x was solved by A.Fiorillo, A.Ilari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	78.25 / 1.84
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	79.98, 109.24, 112.13, 90, 90, 90
*R / R_free (%)*	19.5 / 23.8

Other elements in 5s9x:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917 (pdb code 5s9x). 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 Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917, PDB code: 5s9x:

Bromine binding site 1 out of 1 in 5s9x

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Bromine Binding Sites List in 5s9x

Bromine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917

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 Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Br506 b:106.2 occ:1.00	NE	B:ARG228	3.4	40.3	0.3
	NH2	B:ARG235	3.5	36.4	1.0
	NH2	B:ARG228	3.6	39.0	0.3
	N	B:LEU225	3.8	36.6	1.0
	N	B:ASN224	3.8	39.6	1.0
	CB	B:ASN223	3.9	58.6	1.0
	CZ	B:ARG228	3.9	39.8	0.3
	O	B:LEU225	4.1	36.9	1.0
	CB	B:LEU225	4.2	37.8	1.0
	CB	B:ASN224	4.2	48.9	1.0
	CG	B:ARG228	4.4	39.0	0.3
	CA	B:ASN224	4.4	41.1	1.0
	CD	B:ARG228	4.4	39.4	0.3
	C	B:ASN224	4.5	38.6	1.0
	CA	B:LEU225	4.5	37.0	1.0
	CZ	B:ARG235	4.6	36.5	1.0
	C	B:ASN223	4.7	43.8	1.0
	CG	B:ASN223	4.8	67.9	1.0
	NH1	B:ARG235	4.8	38.1	1.0
	C	B:LEU225	4.8	32.6	1.0
	CA	B:ASN223	4.9	48.8	1.0

Reference:

A.Fiorillo, A.Ilari. Pandda Analysis Group Deposition To Be Published.

Page generated: Thu Jul 11 00:54:13 2024

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