Calcium in PDB 4ll5: Crystal Structure of Pim-1 in Complex with the Fluorescent Compound SKF86002

Enzymatic activity of Crystal Structure of Pim-1 in Complex with the Fluorescent Compound SKF86002

All present enzymatic activity of Crystal Structure of Pim-1 in Complex with the Fluorescent Compound SKF86002:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Pim-1 in Complex with the Fluorescent Compound SKF86002, PDB code: 4ll5 was solved by L.J.Parker, A.Tanaka, N.Handa, K.Honda, Y.Tomabechi, M.Shirouzu, S.Yokoyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	42.72 / 2.00
*Space group*	P 6₅
*Cell size a, b, c (Å), α, β, γ (°)*	98.650, 98.650, 80.270, 90.00, 90.00, 120.00
*R / R_free (%)*	16.8 / 18.9

Other elements in 4ll5:

The structure of Crystal Structure of Pim-1 in Complex with the Fluorescent Compound SKF86002 also contains other interesting chemical elements:

Fluorine

(F)

1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Pim-1 in Complex with the Fluorescent Compound SKF86002 (pdb code 4ll5). 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 Crystal Structure of Pim-1 in Complex with the Fluorescent Compound SKF86002, PDB code: 4ll5:

Calcium binding site 1 out of 1 in 4ll5

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Calcium Binding Sites List in 4ll5

Calcium binding site 1 out of 1 in the Crystal Structure of Pim-1 in Complex with the Fluorescent Compound SKF86002

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Pim-1 in Complex with the Fluorescent Compound SKF86002 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca406 b:55.7 occ:0.70	O	A:HOH668	2.5	47.8	1.0
	OD1	A:ASP170	2.6	35.2	1.0
	O	A:HOH669	2.7	56.8	1.0
	OH	A:TYR207	2.9	32.1	1.0
	O2	A:GOL402	3.3	34.8	0.7
	CG	A:ASP170	3.3	29.2	1.0
	OD2	A:ASP170	3.3	28.1	1.0
	CG2	A:ILE240	3.4	34.1	1.0
	CE2	A:TYR207	3.7	31.0	1.0
	CZ	A:TYR207	3.7	29.7	1.0
	OD1	A:ASP234	4.1	31.2	1.0
	CG	A:ASP234	4.4	33.2	1.0
	O3	A:GOL402	4.5	27.6	0.7
	C2	A:GOL402	4.5	30.2	0.7
	OD2	A:ASP234	4.5	35.4	1.0
	CD1	A:PHE130	4.6	33.1	1.0
	CB	A:ASP170	4.6	23.3	1.0
	C3	A:GOL402	4.8	31.8	0.7
	CB	A:ILE240	4.8	35.4	1.0
	CD1	A:ILE240	4.8	41.8	1.0
	CE1	A:PHE130	4.9	39.6	1.0
	CD2	A:TYR207	5.0	27.0	1.0

Reference:

L.J.Parker, S.Taruya, K.Tsuganezawa, N.Ogawa, J.Mikuni, K.Honda, T.Tomabechi, N.Handa, M.Shirouzu, S.Yokoyama, A.Tanaka. Kinase Crystal Identification and Atp-Competitive Inhibitor Screening Using the Fluorescent Ligand SKF86002 Acta Crystallogr.,Sect.D V. 70 392 2014.
ISSN: ISSN 0907-4449
DOI: 10.1107/S1399004713028654

Page generated: Sun Jul 14 09:35:44 2024

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