Bromine in PDB 5s9s: Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434898

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434898

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434898:
1.8.1.12;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434898, PDB code: 5s9s 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)*	77.95 / 1.80
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	80.282, 108.597, 111.946, 90, 90, 90
*R / R_free (%)*	20.2 / 24.4

Other elements in 5s9s:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434898 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 Z2856434898 (pdb code 5s9s). 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 Z2856434898, PDB code: 5s9s:

Bromine binding site 1 out of 1 in 5s9s

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Bromine Binding Sites List in 5s9s

Bromine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434898

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 Z2856434898 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Br506 b:82.7 occ:1.00	NH2	B:ARG235	3.4	33.1	1.0
	NE	B:ARG228	3.6	44.3	0.3
	N	B:ASN224	3.6	41.8	1.0
	N	B:LEU225	3.7	33.5	1.0
	CB	B:ASN223	3.8	49.5	1.0
	NH2	B:ARG228	3.8	44.9	0.3
	O	B:LEU225	4.0	32.7	1.0
	CB	B:LEU225	4.1	36.1	1.0
	CB	B:ASN224	4.1	48.0	1.0
	CZ	B:ARG228	4.1	44.3	0.3
	CA	B:ASN224	4.2	40.2	1.0
	C	B:ASN224	4.3	34.8	1.0
	CA	B:LEU225	4.4	33.0	1.0
	CG	B:ARG228	4.5	40.9	0.3
	C	B:ASN223	4.5	41.8	1.0
	CZ	B:ARG235	4.6	34.6	1.0
	CD	B:ARG228	4.6	43.1	0.3
	CA	B:ASN223	4.6	44.2	1.0
	C	B:LEU225	4.7	30.0	1.0
	CG	B:ASN223	4.7	54.7	1.0
	CG	B:ARG228	4.9	34.7	0.1
	NH1	B:ARG235	4.9	34.7	1.0

Reference:

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

Page generated: Mon Jul 7 09:05:49 2025

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