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Sodium in PDB 4er6: Crystal Structure of Human DOT1L in Complex with Inhibitor SGC0946

Enzymatic activity of Crystal Structure of Human DOT1L in Complex with Inhibitor SGC0946

All present enzymatic activity of Crystal Structure of Human DOT1L in Complex with Inhibitor SGC0946:
2.1.1.43;

Protein crystallography data

The structure of Crystal Structure of Human DOT1L in Complex with Inhibitor SGC0946, PDB code: 4er6 was solved by A.K.Wernimont, W.Tempel, W.Yu, A.Scopton, Y.Li, K.T.Nguyen, M.Vedadi, J.E.Bradner, M.Schapira, C.H.Arrowsmith, A.M.Edwards, C.Bountra, P.J.Brown, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.00 / 2.30
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 149.907, 149.907, 52.839, 90.00, 90.00, 120.00
R / Rfree (%) 21.6 / 23

Other elements in 4er6:

The structure of Crystal Structure of Human DOT1L in Complex with Inhibitor SGC0946 also contains other interesting chemical elements:

Bromine (Br) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Human DOT1L in Complex with Inhibitor SGC0946 (pdb code 4er6). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Human DOT1L in Complex with Inhibitor SGC0946, PDB code: 4er6:

Sodium binding site 1 out of 1 in 4er6

Go back to Sodium Binding Sites List in 4er6
Sodium binding site 1 out of 1 in the Crystal Structure of Human DOT1L in Complex with Inhibitor SGC0946


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Human DOT1L in Complex with Inhibitor SGC0946 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na503

b:64.3
occ:1.00
 O A:HOH625 2.2 55.5 1.0
O A:HOH624 2.3 66.0 1.0
O A:MET55 2.5 73.6 1.0
OD1 A:ASN57 2.5 79.8 1.0
O A:LYS52 2.8 60.3 1.0
O A:LEU53 3.0 68.7 1.0
CG A:ASN57 3.6 79.8 1.0
C A:LEU53 3.6 65.8 1.0
C A:MET55 3.7 75.3 1.0
CA A:LEU53 3.9 66.2 1.0
C A:LYS52 3.9 60.0 1.0
ND2 A:ASN57 4.0 74.7 1.0
N A:MET55 4.3 67.7 1.0
N A:LEU53 4.4 61.8 1.0
N A:ASN57 4.5 84.0 1.0
CA A:MET55 4.6 69.6 1.0
N A:ALA54 4.6 64.5 1.0
N A:GLU56 4.6 77.3 1.0
C A:ALA54 4.7 66.9 1.0
CA A:GLU56 4.7 80.8 1.0
CB A:ASN57 4.8 81.8 1.0

Reference:

W.Yu, E.J.Chory, A.K.Wernimont, W.Tempel, A.Scopton, A.Federation, J.J.Marineau, J.Qi, D.Barsyte-Lovejoy, J.Yi, R.Marcellus, R.E.Iacob, J.R.Engen, C.Griffin, A.Aman, E.Wienholds, F.Li, J.Pineda, G.Estiu, T.Shatseva, T.Hajian, R.Al-Awar, J.E.Dick, M.Vedadi, P.J.Brown, C.H.Arrowsmith, J.E.Bradner, M.Schapira. Catalytic Site Remodelling of the DOT1L Methyltransferase By Selective Inhibitors. Nat Commun V. 3 1288 2012.
ISSN: ESSN 2041-1723
PubMed: 23250418
DOI: 10.1038/NCOMMS2304
Page generated: Mon Oct 7 15:11:38 2024

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