Manganese in PDB 5r7x: Pandda Analysis Group Deposition of Ground-State Model of Human JMJD1B

The structure of Pandda Analysis Group Deposition of Ground-State Model of Human JMJD1B, PDB code: 5r7x was solved by M.Snee, R.Nowak, C.Johansson, 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)	47.48 / 1.44
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.810, 93.790, 93.250, 90.00, 107.96, 90.00
R / Rfree (%)	18.7 / 20.7

The structure of Pandda Analysis Group Deposition of Ground-State Model of Human JMJD1B also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Manganese atom in the Pandda Analysis Group Deposition of Ground-State Model of Human JMJD1B (pdb code 5r7x). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Pandda Analysis Group Deposition of Ground-State Model of Human JMJD1B, PDB code: 5r7x:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Pandda Analysis Group Deposition of Ground-State Model of Human JMJD1B


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Pandda Analysis Group Deposition of Ground-State Model of Human JMJD1B within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1805 b:43.7 occ:1.00 NE2 A:HIS1560 2.2 24.1 1.0 NE2 A:HIS1689 2.3 20.3 1.0 OD2 A:ASP1562 2.3 34.0 1.0 CE1 A:HIS1689 2.8 23.1 1.0 CE1 A:HIS1560 3.0 22.1 1.0 O A:HOH1927 3.0 30.9 1.0 CD2 A:HIS1560 3.3 23.0 1.0 CG A:ASP1562 3.4 31.2 1.0 CD2 A:HIS1689 3.5 18.2 1.0 OD1 A:ASP1562 4.0 40.5 1.0 ND1 A:HIS1689 4.1 17.3 1.0 ND1 A:HIS1560 4.2 19.4 1.0 CG A:HIS1560 4.3 18.3 1.0 CG A:HIS1689 4.4 18.1 1.0 CB A:ASP1562 4.7 21.5 1.0 O A:HOH1968 4.7 56.1 1.0 O A:HOH2066 5.0 48.5 1.0

Manganese binding site 2 out of 2 in the Pandda Analysis Group Deposition of Ground-State Model of Human JMJD1B


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Pandda Analysis Group Deposition of Ground-State Model of Human JMJD1B within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1802 b:28.2 occ:1.00 NE2 B:HIS1560 2.1 22.3 1.0 NE2 B:HIS1689 2.2 20.4 1.0 OD2 B:ASP1562 2.2 28.4 1.0 CE1 B:HIS1689 2.9 21.6 1.0 CE1 B:HIS1560 3.0 22.4 1.0 CG B:ASP1562 3.2 28.4 1.0 CD2 B:HIS1560 3.2 22.3 1.0 CD2 B:HIS1689 3.3 20.5 1.0 OD1 B:ASP1562 3.6 32.6 1.0 ND1 B:HIS1689 4.1 19.9 1.0 ND1 B:HIS1560 4.1 21.0 1.0 CG B:HIS1560 4.3 21.1 1.0 CG B:HIS1689 4.3 19.9 1.0 CB B:ASP1562 4.5 21.3 1.0

M.Snee, R.Nowak, C.Johansson, N.A.Burgess-Brown, C.H.Arrowsmith, C.Bountra, A.M.Edwards, U.Oppermann. Pandda Analysis Group Deposition of Ground-State Model For Human JMJD1B Screened Against the Dspl Fragment Library To Be Published.