Potassium in PDB 6tel: Crystal Structure of DOT1L in Complex with An Inhibitor (Compound 10).

Enzymatic activity of Crystal Structure of DOT1L in Complex with An Inhibitor (Compound 10).

All present enzymatic activity of Crystal Structure of DOT1L in Complex with An Inhibitor (Compound 10).:
2.1.1.43;

Protein crystallography data

The structure of Crystal Structure of DOT1L in Complex with An Inhibitor (Compound 10)., PDB code: 6tel was solved by C.Scheufler, F.Stauffer, C.Be, H.Moebitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	42.63 / 2.19
*Space group*	P 6₃
*Cell size a, b, c (Å), α, β, γ (°)*	159.160, 159.160, 74.140, 90.00, 90.00, 120.00
*R / R_free (%)*	18.5 / 21.2

Other elements in 6tel:

The structure of Crystal Structure of DOT1L in Complex with An Inhibitor (Compound 10). also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Chlorine	(Cl)	2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of DOT1L in Complex with An Inhibitor (Compound 10). (pdb code 6tel). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Crystal Structure of DOT1L in Complex with An Inhibitor (Compound 10)., PDB code: 6tel:

Potassium binding site 1 out of 1 in 6tel

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Potassium Binding Sites List in 6tel

Potassium binding site 1 out of 1 in the Crystal Structure of DOT1L in Complex with An Inhibitor (Compound 10).

Mono view

Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of DOT1L in Complex with An Inhibitor (Compound 10). within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:K402 b:62.2 occ:1.00	O	B:MET55	2.6	48.9	1.0
	O	B:LYS52	2.8	47.6	1.0
	O	B:HOH599	2.8	71.5	1.0
	O	B:LEU53	3.0	46.6	1.0
	O	B:HOH612	3.1	56.9	1.0
	OD1	B:ASN57	3.1	85.8	1.0
	O	B:HOH604	3.5	69.0	1.0
	C	B:LEU53	3.6	46.6	1.0
	C	B:MET55	3.8	49.9	1.0
	C	B:LYS52	3.9	45.9	1.0
	CA	B:LEU53	3.9	43.5	1.0
	CG	B:ASN57	3.9	93.5	1.0
	N	B:LEU53	4.4	42.0	1.0
	N	B:MET55	4.4	45.0	1.0
	N	B:ASN57	4.5	59.6	1.0
	CB	B:ASN57	4.5	65.5	1.0
	N	B:ALA54	4.6	42.1	1.0
	CA	B:MET55	4.7	45.7	1.0
	O	B:HOH538	4.7	39.9	1.0
	C	B:ALA54	4.7	46.9	1.0
	N	B:GLU56	4.7	49.8	1.0
	ND2	B:ASN57	4.9	88.0	1.0
	CA	B:GLU56	4.9	51.6	1.0

Reference:

F.Stauffer, A.Weiss, C.Scheufler, H.Mobitz, C.Ragot, K.S.Beyer, K.Calkins, D.Guthy, M.Kiffe, B.Van Eerdenbrugh, R.Tiedt, C.Gaul. New Potent DOT1L Inhibitors Forin Vivoevaluation in Mouse. Acs Med.Chem.Lett. V. 10 1655 2019.
ISSN: ISSN 1948-5875
PubMed: 31857842
DOI: 10.1021/ACSMEDCHEMLETT.9B00452

Page generated: Mon Aug 12 17:39:30 2024

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