Chlorine 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:

Fluorine	(F)	1 atom
Calcium	(Ca)	4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha, PDB code: 6y7y:

Chlorine binding site 1 out of 1 in 6y7y

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Chlorine Binding Sites List in 6y7y

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl406 b:36.5 occ:1.00	ND1	A:HIS77	3.8	23.8	1.0
	O	A:PRO322	3.8	17.9	1.0
	CE1	A:HIS77	3.8	22.8	1.0
	O	A:HOH594	3.9	30.8	1.0
	N	A:ASP324	3.9	16.1	1.0
	NH2	A:ARG73	4.1	27.9	1.0
	O	A:HOH705	4.1	43.1	1.0
	O	A:HOH623	4.3	30.8	1.0
	CD1	A:TYR323	4.3	19.3	1.0
	CA	A:TYR323	4.4	18.8	1.0
	CB	A:ASP324	4.5	24.6	1.0
	O	A:HOH607	4.5	21.8	1.0
	C	A:TYR323	4.7	19.0	1.0
	C	A:PRO322	4.8	18.0	1.0
	CA	A:ASP324	4.8	21.1	1.0
	CE1	A:TYR323	4.9	25.0	1.0
	NE2	A:HIS77	4.9	18.6	1.0
	CG	A:HIS77	4.9	16.9	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: Mon Jul 29 17:32:22 2024

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