Chlorine in PDB 6rbj: Crystal Structure of KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol

The structure of Crystal Structure of KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol, PDB code: 6rbj was solved by C.Johansson, J.A.Newman, A.Kawamura, C.J.Schofield, C.H.Arrowsmith, C.Bountra, A.Edwards, U.C.T.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	86.40 / 2.09
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.929, 93.754, 90.494, 90.00, 107.29, 90.00
R / Rfree (%)	18.9 / 21

The structure of Crystal Structure of KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol (pdb code 6rbj). 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 KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol, PDB code: 6rbj:

Chlorine binding site 1 out of 1 in the Crystal Structure of KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol


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 KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1805 b:28.6 occ:1.00 H A:GLU1513 2.5 33.3 1.0 HB2 A:GLU1513 2.7 42.9 1.0 HA A:LEU1511 2.8 32.2 1.0 HD2 A:PRO1512 3.0 33.0 1.0 HD23 A:LEU1511 3.1 34.9 1.0 HB3 A:TRP1402 3.2 30.5 1.0 O A:HOH1965 3.3 27.0 1.0 N A:GLU1513 3.3 27.7 1.0 O A:HOH1975 3.4 26.8 1.0 HG3 A:GLU1513 3.4 50.3 1.0 C A:LEU1511 3.5 26.2 1.0 CA A:LEU1511 3.5 26.8 1.0 CB A:GLU1513 3.6 35.7 1.0 HD1 A:TYR1514 3.6 30.6 1.0 N A:PRO1512 3.6 26.5 1.0 HB3 A:LEU1511 3.7 33.3 1.0 CD A:PRO1512 3.7 27.5 1.0 H A:TYR1514 3.8 29.1 1.0 CG A:GLU1513 3.9 41.9 1.0 HG2 A:PRO1512 3.9 35.5 1.0 O A:LEU1511 4.0 23.8 1.0 CD2 A:LEU1511 4.0 29.0 1.0 CA A:GLU1513 4.0 30.8 1.0 CB A:LEU1511 4.1 27.7 1.0 HD22 A:LEU1511 4.1 34.9 1.0 CB A:TRP1402 4.2 25.4 1.0 HB3 A:GLU1513 4.3 42.9 1.0 C A:PRO1512 4.3 26.1 1.0 CG A:PRO1512 4.4 29.6 1.0 CD1 A:TYR1514 4.4 25.5 1.0 HB2 A:TRP1402 4.4 30.5 1.0 HE1 A:TYR1514 4.4 30.8 1.0 N A:TYR1514 4.5 24.2 1.0 HD3 A:PRO1512 4.5 33.0 1.0 HD1 A:TRP1402 4.5 32.0 1.0 CA A:PRO1512 4.5 27.2 1.0 CD A:GLU1513 4.5 49.4 1.0 O A:HOH1919 4.5 30.9 1.0 CG A:LEU1511 4.6 31.2 1.0 HD21 A:LEU1511 4.7 34.9 1.0 C A:GLU1513 4.7 27.3 1.0 HG A:LEU1511 4.7 37.5 1.0 N A:LEU1511 4.7 28.3 1.0 HG2 A:GLU1513 4.8 50.3 1.0 HA A:GLU1513 4.8 36.9 1.0 H A:TRP1402 4.8 32.6 1.0 H A:LEU1511 4.8 34.0 1.0 CE1 A:TYR1514 4.9 25.6 1.0 HA A:TRP1402 4.9 30.6 1.0 CG A:TRP1402 4.9 25.9 1.0 OE1 A:GLU1513 4.9 51.8 1.0 CD1 A:TRP1402 5.0 26.7 1.0 HB2 A:LEU1511 5.0 33.3 1.0

C.Johansson, J.A.Newman, A.Kawamura, C.J.Schofield, C.H.Arrowsmith, C.Bountra, A.Edwards, U.C.T.Oppermann. Crystal Structure of KDM3B in Complex with 5-(1H-Tetrazol-5-Yl)Quinolin-8-Ol To Be Published.