Bromine in PDB 5nmm: The Structure of the Polo-Box Domain (Pbd) of PLK1 in Complex with Alpha-Bromo-3-Iodotoluene.

Enzymatic activity of The Structure of the Polo-Box Domain (Pbd) of PLK1 in Complex with Alpha-Bromo-3-Iodotoluene.

All present enzymatic activity of The Structure of the Polo-Box Domain (Pbd) of PLK1 in Complex with Alpha-Bromo-3-Iodotoluene.:
2.7.11.21;

Protein crystallography data

The structure of The Structure of the Polo-Box Domain (Pbd) of PLK1 in Complex with Alpha-Bromo-3-Iodotoluene., PDB code: 5nmm was solved by D.L.Kunciw, M.Rossmann, J.E.Stokes, C.De Fusco, D.R.Spring, M.Hyvonen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	46.52 / 2.02
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	33.360, 93.040, 35.910, 90.00, 100.22, 90.00
*R / R_free (%)*	19.2 / 23.7

Other elements in 5nmm:

The structure of The Structure of the Polo-Box Domain (Pbd) of PLK1 in Complex with Alpha-Bromo-3-Iodotoluene. also contains other interesting chemical elements:

Iodine

(I)

1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the The Structure of the Polo-Box Domain (Pbd) of PLK1 in Complex with Alpha-Bromo-3-Iodotoluene. (pdb code 5nmm). 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 The Structure of the Polo-Box Domain (Pbd) of PLK1 in Complex with Alpha-Bromo-3-Iodotoluene., PDB code: 5nmm:

Bromine binding site 1 out of 1 in 5nmm

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Bromine Binding Sites List in 5nmm

Bromine binding site 1 out of 1 in the The Structure of the Polo-Box Domain (Pbd) of PLK1 in Complex with Alpha-Bromo-3-Iodotoluene.

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Structure of the Polo-Box Domain (Pbd) of PLK1 in Complex with Alpha-Bromo-3-Iodotoluene. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br701 b:90.6 occ:0.43	BR	A:8Z5701	0.0	90.6	0.4
	C	A:8Z5701	1.9	48.8	0.4
	H6	A:8Z5701	2.4	58.6	0.4
	H5	A:8Z5701	2.4	58.6	0.4
	HE2	A:TYR421	2.8	64.8	1.0
	C1	A:8Z5701	2.9	45.7	0.4
	H4	A:8Z5701	3.0	56.9	0.4
	HH	A:TYR421	3.2	71.3	1.0
	C2	A:8Z5701	3.3	47.5	0.4
	CE2	A:TYR421	3.7	54.0	1.0
	OH	A:TYR421	3.7	59.4	1.0
	C6	A:8Z5701	4.1	43.7	0.4
	HE2	A:TYR417	4.1	66.3	1.0
	CZ	A:TYR421	4.1	54.9	1.0
	H2	A:8Z5701	4.3	52.4	0.4
	HH	A:TYR417	4.5	65.7	1.0
	C3	A:8Z5701	4.6	44.5	0.4
	CD2	A:TYR421	4.8	51.2	1.0
	HD2	A:TYR421	4.8	61.5	1.0
	HD23	A:LEU478	4.9	55.7	1.0
	HD2	A:TYR481	4.9	54.7	1.0
	CD2	A:TYR481	4.9	45.6	1.0
	CE2	A:TYR417	5.0	55.3	1.0
	HE2	A:TYR481	5.0	67.9	1.0
	CE2	A:TYR481	5.0	56.6	1.0

Reference:

D.L.Kunciw, C.De Fusco, M.Rossmann, J.E.Stokes, A.Renzetti, H.F.Sore, M.Hyvonen, D.R.Spring. A Fragment-Based Approach to Developing Inhibitors of the Cryptic Pocket of the Polo-Like Kinase 1 Polo-Box Domain. To Be Published.

Page generated: Sat Dec 12 02:28:33 2020

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