Chlorine in PDB 8uwp: Crystal Structure of SETDB1 Tudor Domain in Complex with MR43625

All present enzymatic activity of Crystal Structure of SETDB1 Tudor Domain in Complex with MR43625:
2.1.1.43;

The structure of Crystal Structure of SETDB1 Tudor Domain in Complex with MR43625, PDB code: 8uwp was solved by S.Shrestha, S.Beldar, A.Dong, S.Ackloo, P.J.Brown, C.H.Arrowsmith, A.M.Edwards, L.Halabelian, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.05 / 1.77
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.285, 141.7, 55.517, 90, 90, 90
R / Rfree (%)	19.9 / 24.2

The binding sites of Chlorine atom in the Crystal Structure of SETDB1 Tudor Domain in Complex with MR43625 (pdb code 8uwp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of SETDB1 Tudor Domain in Complex with MR43625, PDB code: 8uwp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of SETDB1 Tudor Domain in Complex with MR43625


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of SETDB1 Tudor Domain in Complex with MR43625 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:49.6 occ:1.00 CL10 A:XRU301 0.0 49.6 1.0 C9 A:XRU301 1.7 38.9 1.0 C11 A:XRU301 2.7 36.3 1.0 C8 A:XRU301 2.7 32.5 1.0 C7 A:XRU301 3.1 33.0 1.0 CH2 A:TRP86 3.4 31.7 1.0 N6 A:XRU301 3.4 28.0 1.0 CZ2 A:TRP86 3.5 34.4 1.0 O A:HOH438 3.6 50.2 1.0 O A:HOH421 3.8 39.1 1.0 O28 A:XRU301 3.9 33.0 1.0 C12 A:XRU301 3.9 32.8 1.0 C27 A:XRU301 4.0 31.8 1.0 OD2 A:ASP81 4.0 43.8 1.0 C4 A:XRU301 4.3 26.2 1.0 C5 A:XRU301 4.4 27.1 1.0 C13 A:XRU301 4.5 30.8 1.0 CZ3 A:TRP86 4.5 35.4 1.0 OE1 A:GLN84 4.6 41.9 1.0 CE2 A:TRP86 4.7 32.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of SETDB1 Tudor Domain in Complex with MR43625


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of SETDB1 Tudor Domain in Complex with MR43625 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:55.9 occ:1.00 CL10 B:XRU301 0.0 55.9 1.0 C9 B:XRU301 1.7 41.3 1.0 C11 B:XRU301 2.7 41.0 1.0 C8 B:XRU301 2.7 37.5 1.0 C7 B:XRU301 3.1 37.0 1.0 CH2 B:TRP86 3.3 36.1 1.0 N6 B:XRU301 3.3 30.9 1.0 CZ2 B:TRP86 3.5 39.7 1.0 O B:HOH440 3.6 46.2 1.0 O B:HOH435 3.8 41.0 1.0 C12 B:XRU301 3.9 36.9 1.0 C27 B:XRU301 4.0 35.7 1.0 O28 B:XRU301 4.0 33.2 1.0 OD2 B:ASP81 4.1 39.1 1.0 C4 B:XRU301 4.3 30.8 1.0 C5 B:XRU301 4.4 30.5 1.0 CZ3 B:TRP86 4.4 35.3 1.0 C13 B:XRU301 4.5 36.3 1.0 O2 B:SO4303 4.5 55.5 1.0 O4 B:SO4303 4.7 48.5 1.0 OE1 B:GLN84 4.7 44.2 1.0 CE2 B:TRP86 4.7 36.8 1.0

S.Shrestha, S.Beldar, A.Dong, S.Ackloo, P.J.Brown, C.H.Arrowsmith, A.M.Edwards, L.Halabelian, Structural Genomics Consortium (Sgc). Crystal Structure of SETDB1 Tudor Domain in Complex with MR43625 To Be Published.