Bromine in PDB 3kvw: Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2) in Complex with An Indirubin Ligand

Enzymatic activity of Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2) in Complex with An Indirubin Ligand

All present enzymatic activity of Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2) in Complex with An Indirubin Ligand:
2.7.12.1;

Protein crystallography data

The structure of Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2) in Complex with An Indirubin Ligand, PDB code: 3kvw was solved by P.Filippakopoulos, V.Myrianthopoulos, M.Kritsanida, P.Magiatis, A.L.Skaltsounis, M.Soundararajan, T.Krojer, O.Gileadi, E.Hapka, O.Fedorov, G.Berridge, J.Wang, L.Shrestha, M.Vollmar, F.Von Delft, C.H.Arrowsmith, A.Edwards, J.Weigelt, C.Bountra, E.Mikros, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	42.81 / 2.28
*Space group*	P 4₂ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	84.280, 84.280, 149.120, 90.00, 90.00, 90.00
*R / R_free (%)*	20.9 / 26

Other elements in 3kvw:

The structure of Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2) in Complex with An Indirubin Ligand also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2) in Complex with An Indirubin Ligand (pdb code 3kvw). 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 Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2) in Complex with An Indirubin Ligand, PDB code: 3kvw:

Bromine binding site 1 out of 1 in 3kvw

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Bromine Binding Sites List in 3kvw

Bromine binding site 1 out of 1 in the Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2) in Complex with An Indirubin Ligand

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2) in Complex with An Indirubin Ligand within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br1 b:37.8 occ:0.75	BRAE	A:IRB1	0.0	37.8	0.8
	CAQ	A:IRB1	1.9	31.6	1.0
	CAY	A:IRB1	2.9	32.8	1.0
	CAG	A:IRB1	3.0	35.5	1.0
	NAM	A:IRB1	3.2	30.6	1.0
	C	A:SER232	3.7	20.1	1.0
	CA	A:SER232	3.8	18.1	1.0
	O	A:LEU231	3.9	16.8	1.0
	N	A:MET233	4.0	19.6	1.0
	O	A:SER232	4.0	16.9	1.0
	CAW	A:IRB1	4.2	27.2	1.0
	CAF	A:IRB1	4.3	44.3	1.0
	CA	A:MET233	4.5	14.8	1.0
	CAR	A:IRB1	4.5	32.8	1.0
	C	A:LEU231	4.7	14.3	1.0
	N	A:SER232	4.7	15.3	1.0
	CAI	A:IRB1	4.8	40.2	1.0
	OG	A:SER232	4.9	18.6	1.0
	CB	A:SER232	5.0	22.8	1.0

Reference:

P.Filippakopoulos, V.Myrianthopoulos, M.Kritsanida, P.Magiatis, A.L.Skaltsounis, M.Soundararajan, T.Krojer, O.Gileadi, E.Hapka, O.Fedorov, G.Berridge, J.Wang, L.Shrestha, M.Vollmar, F.Von Delft, C.H.Arrowsmith, A.Edwards, J.Weigelt, C.Bountra, E.Mikros, S.Knapp. Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2) in Complex with An Indirubin Ligand To Be Published.

Page generated: Wed Jul 10 19:51:08 2024

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