Bromine in PDB 8r0q: PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide

Enzymatic activity of PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide

All present enzymatic activity of PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide:
2.7.11.1;

Protein crystallography data

The structure of PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide, PDB code: 8r0q was solved by P.M.M.Hochban, A.Heine, W.E.Diederich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	41.66 / 1.70
*Space group*	P 6₅
*Cell size a, b, c (Å), α, β, γ (°)*	97.221, 97.221, 80.836, 90, 90, 120
*R / R_free (%)*	16.5 / 17.7

Other elements in 8r0q:

The structure of PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide (pdb code 8r0q). 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 PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide, PDB code: 8r0q:

Bromine binding site 1 out of 1 in 8r0q

Go back to

Bromine Binding Sites List in 8r0q

Bromine binding site 1 out of 1 in the PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br402 b:36.1 occ:0.38	BR8	A:XGB402	0.0	36.1	0.4
	C7	A:XGB402	1.9	35.8	1.0
	C9	A:XGB402	2.8	33.4	1.0
	C6	A:XGB402	2.8	34.2	1.0
	CG	A:ARG122	3.5	39.0	1.0
	CB	A:ARG122	3.8	37.2	1.0
	CD	A:ARG122	3.9	35.0	1.0
	CD1	A:LEU174	4.0	31.8	1.0
	CA	A:ARG122	4.0	36.5	1.0
	CB	A:ALA65	4.1	32.8	1.0
	C10	A:XGB402	4.1	30.8	1.0
	C5	A:XGB402	4.1	32.5	1.0
	CD1	A:LEU44	4.2	39.7	1.0
	CD	A:PRO123	4.2	41.6	1.0
	O	A:GLU121	4.4	42.9	1.0
	CG1	A:VAL126	4.5	39.0	1.0
	C4	A:XGB402	4.6	30.9	1.0
	N	A:PRO123	4.7	38.5	1.0
	C	A:ARG122	4.8	38.9	1.0
	O	A:HOH677	4.8	44.2	1.0
	O	A:PRO123	4.9	36.4	1.0

Reference:

P.M.M.Hochban, D.Hubach, A.Heine, W.E.Diederich. PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide To Be Published.

Page generated: Wed Nov 27 16:21:04 2024

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