Calcium in PDB 5ar5: RIP2 Kinase Catalytic Domain (1 - 310) Complex with Benzimidazole

Enzymatic activity of RIP2 Kinase Catalytic Domain (1 - 310) Complex with Benzimidazole

All present enzymatic activity of RIP2 Kinase Catalytic Domain (1 - 310) Complex with Benzimidazole:
2.7.10.2; 2.7.11.1;

Protein crystallography data

The structure of RIP2 Kinase Catalytic Domain (1 - 310) Complex with Benzimidazole, PDB code: 5ar5 was solved by A.K.Charnley, M.A.Convery, A.Lakdawala Shah, E.Jones, P.Hardwicke, A.Bridges, B.J.Votta, P.J.Gough, R.W.Marquis, J.Bertin, L.Casillas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.00 / 2.66
*Space group*	P 3₂ 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	132.176, 132.176, 107.667, 90.00, 90.00, 120.00
*R / R_free (%)*	16.95 / 21.661

Other elements in 5ar5:

The structure of RIP2 Kinase Catalytic Domain (1 - 310) Complex with Benzimidazole also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the RIP2 Kinase Catalytic Domain (1 - 310) Complex with Benzimidazole (pdb code 5ar5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the RIP2 Kinase Catalytic Domain (1 - 310) Complex with Benzimidazole, PDB code: 5ar5:

Calcium binding site 1 out of 1 in 5ar5

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Calcium Binding Sites List in 5ar5

Calcium binding site 1 out of 1 in the RIP2 Kinase Catalytic Domain (1 - 310) Complex with Benzimidazole

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of RIP2 Kinase Catalytic Domain (1 - 310) Complex with Benzimidazole within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca1311 b:63.6 occ:1.00	O	A:HOH2073	2.2	67.2	1.0
	O	A:HOH2072	2.2	33.8	1.0
	O	A:GLU112	2.3	53.3	1.0
	O	A:HOH2074	2.4	50.2	1.0
	O	A:HOH2147	2.6	33.2	1.0
	O	A:HOH2071	3.3	41.7	1.0
	C	A:GLU112	3.5	45.1	1.0
	CD	A:PRO114	4.1	33.5	1.0
	CA	A:GLU112	4.4	41.3	1.0
	OE2	A:GLU112	4.5	61.5	1.0
	N	A:TYR113	4.5	37.2	1.0
	O	A:LEU309	4.5	27.9	1.0
	CD	A:GLU112	4.6	62.1	1.0
	O	A:HOH2077	4.7	41.8	1.0
	CA	A:TYR113	4.7	36.3	1.0
	O	A:THR111	4.7	43.4	1.0
	O	A:GLN308	4.8	29.6	1.0
	CD1	A:TYR113	4.8	37.9	1.0
	OE1	A:GLU112	4.8	62.6	1.0
	O	A:LYS310	4.9	39.4	1.0

Reference:

A.K.Charnley, M.A.Convery, A.Lakdawala Shah, E.Jones, P.Hardwicke, A.Bridges, M.Ouellette, R.Totoritis, B.Schwartz, B.W.King, D.D.Wisnoski, J.Kang, P.M.Eidam, B.J.Votta, P.J.Gough, R.W.Marquis, J.Bertin, L.Casillas. Crystal Structures of Human RIP2 Kinase Catalytic Domain Complexed with Atp-Competitive Inhibitors: Foundations For Understanding Inhibitor Selectivity. Bioorg.Med.Chem. V. 23 7000 2015.
ISSN: ISSN 0968-0896
PubMed: 26455654
DOI: 10.1016/J.BMC.2015.09.038

Page generated: Sun Jul 14 16:37:06 2024

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