Fluorine 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:

Calcium

(Ca)

1 atom

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Pim-1 in Complex with the Fluorescent Compound SKF86002, PDB code: 4ll5:

Fluorine binding site 1 out of 1 in 4ll5

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Fluorine Binding Sites List in 4ll5

Fluorine 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 Fluorine with other atoms in the F 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:F401 b:63.6 occ:1.00	F21	A:SK8401	0.0	63.6	1.0
	C3	A:SK8401	1.3	49.7	1.0
	C4	A:SK8401	2.4	43.2	1.0
	C2	A:SK8401	2.4	43.9	1.0
	CG	A:ARG122	3.1	36.0	1.0
	CD	A:PRO123	3.6	37.0	1.0
	C5	A:SK8401	3.6	34.8	1.0
	C1	A:SK8401	3.6	36.4	1.0
	CB	A:ARG122	3.7	35.9	1.0
	CG1	A:VAL126	3.8	34.2	1.0
	CD	A:ARG122	3.8	34.8	1.0
	CA	A:ARG122	3.8	35.4	1.0
	CD1	A:LEU174	4.0	33.8	1.0
	O	A:PRO123	4.1	36.0	1.0
	N	A:PRO123	4.1	37.5	1.0
	C6	A:SK8401	4.2	35.6	1.0
	C	A:ARG122	4.3	33.2	1.0
	O	A:HOH527	4.4	38.6	1.0
	CB	A:VAL126	4.6	37.5	1.0
	CG2	A:VAL126	4.6	35.8	1.0
	CD1	A:LEU44	4.6	37.1	1.0
	O	A:GLU121	4.7	29.9	1.0
	CG	A:PRO123	4.8	39.2	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: Thu Aug 1 03:27:31 2024

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