Fluorine in PDB 6y7y: Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha

Enzymatic activity of Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha

All present enzymatic activity of Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha:
2.7.11.24;

Protein crystallography data

The structure of Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha, PDB code: 6y7y was solved by G.F.De Nicola, C.E.Nichols, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	63.27 / 1.51
*Space group*	I 2 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	80.380, 102.586, 104.731, 90.00, 90.00, 90.00
*R / R_free (%)*	22 / 24.9

Other elements in 6y7y:

The structure of Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Calcium	(Ca)	4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha (pdb code 6y7y). 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 Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha, PDB code: 6y7y:

Fluorine binding site 1 out of 1 in 6y7y

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Fluorine Binding Sites List in 6y7y

Fluorine binding site 1 out of 1 in the Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F401 b:15.7 occ:1.00	FB7	A:SB4401	0.0	15.7	1.0
	CB3	A:SB4401	1.4	12.9	1.0
	CB2	A:SB4401	2.3	11.9	1.0
	CB4	A:SB4401	2.4	14.6	1.0
	CB	A:LEU104	3.2	8.1	1.0
	C	A:LEU104	3.3	10.5	1.0
	O	A:LEU104	3.3	10.8	1.0
	N	A:VAL105	3.5	9.0	1.0
	CB1	A:SB4401	3.6	12.2	1.0
	CB5	A:SB4401	3.6	12.0	1.0
	C	A:VAL105	3.7	10.5	1.0
	CD2	A:LEU86	3.8	20.5	1.0
	N	A:THR106	3.8	7.9	1.0
	CA	A:LEU104	3.9	7.0	1.0
	CB	A:THR106	3.9	11.9	1.0
	CA	A:VAL105	3.9	8.3	1.0
	O	A:VAL105	4.0	10.6	1.0
	CG2	A:THR106	4.0	38.8	1.0
	CB6	A:SB4401	4.1	10.6	1.0
	CD1	A:LEU75	4.3	22.0	1.0
	CA	A:THR106	4.5	9.1	1.0
	CG	A:LEU104	4.5	12.9	1.0
	CD1	A:LEU104	4.6	18.2	1.0
	O	A:ALA51	4.6	9.1	1.0
	CB	A:LYS53	4.8	8.7	1.0
	O	A:GLY85	5.0	15.7	1.0
	N	A:LYS53	5.0	8.2	1.0

Reference:

G.F.De Nicola, C.E.Nichols. Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha To Be Published.

Page generated: Fri Aug 2 04:21:07 2024

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