Chlorine in PDB 5fup: Crystal Structure of Human JARID1B in Complex with 2-Oxoglutarate.

The structure of Crystal Structure of Human JARID1B in Complex with 2-Oxoglutarate., PDB code: 5fup was solved by R.Nowak, V.Srikannathasan, C.Johansson, C.Gileadi, K.Kupinska, C.Strain-Damerell, A.Szykowska, R.Talon, F.Von Delft, N.A.Burgess-Brown, C.H.Arrowsmith, C.Bountra, A.M.Edwards, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.17 / 2.15
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	142.340, 142.340, 152.260, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 22.7

The structure of Crystal Structure of Human JARID1B in Complex with 2-Oxoglutarate. also contains other interesting chemical elements:

Manganese	(Mn)	2 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human JARID1B in Complex with 2-Oxoglutarate. (pdb code 5fup). 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 Crystal Structure of Human JARID1B in Complex with 2-Oxoglutarate., PDB code: 5fup:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human JARID1B in Complex with 2-Oxoglutarate.


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 Human JARID1B in Complex with 2-Oxoglutarate. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1762 b:59.6 occ:1.00 O A:HOH2111 2.3 58.8 1.0 O A:LEU413 2.7 39.6 1.0 O A:THR416 2.8 48.6 1.0 OD1 A:ASN91 2.9 47.4 1.0 O A:GLU419 2.9 66.9 1.0 O A:LEU90 3.0 39.9 1.0 O A:HOH2115 3.2 68.4 1.0 O A:HOH2113 3.6 50.3 1.0 C A:LEU413 3.8 37.8 1.0 C A:THR416 3.8 56.5 1.0 C A:GLU419 3.9 52.5 1.0 CG A:ASN91 4.0 47.7 1.0 O A:VAL414 4.1 34.3 1.0 CA A:VAL414 4.1 34.4 1.0 C A:VAL414 4.1 37.5 1.0 C A:LEU90 4.1 35.3 1.0 CB A:GLU419 4.2 57.0 1.0 N A:THR416 4.3 48.4 1.0 N A:VAL414 4.5 34.3 1.0 CA A:ASN91 4.5 38.7 1.0 CA A:GLU419 4.5 62.3 1.0 O A:HOH2114 4.5 71.2 1.0 O A:HOH2110 4.6 63.3 1.0 CA A:THR416 4.6 57.0 1.0 N A:ASN91 4.7 38.8 1.0 N A:ILE417 4.7 58.8 1.0 CB A:ASN91 4.8 38.0 1.0 N A:GLU419 4.8 57.9 1.0 N A:ASP420 4.8 55.1 1.0 N A:SER415 4.8 36.9 1.0 CA A:ILE417 4.9 58.8 1.0 O A:ILE417 4.9 65.4 1.0 CA A:ASP420 4.9 64.2 1.0 C A:ILE417 4.9 56.0 1.0 CA A:LEU413 5.0 31.3 1.0

C.Johansson, S.Velupillai, A.Tumber, A.Szykowska, E.S.Hookway, R.P.Nowak, C.Strain-Damerell, C.Gileadi, M.Philpott, N.Burgess-Brown, N.Wu, J.Kopec, A.Nuzzi, H.Steuber, U.Egner, V.Badock, S.Munro, N.B.Lathangue, S.Westaway, J.Brown, N.Athanasou, R.Prinjha, P.E.Brennan, U.Oppermann. Structural Analysis of Human KDM5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol. V. 12 539 2016.
ISSN: ISSN 1552-4450
PubMed: 27214403
DOI: 10.1038/NCHEMBIO.2087