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Manganese in PDB 5ral: Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with XS039332C

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with XS039332C, PDB code: 5ral 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) 88.85 / 1.68
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.600, 93.690, 93.434, 90.00, 108.03, 90.00
R / Rfree (%) 18.9 / 22.1

Other elements in 5ral:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with XS039332C also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with XS039332C (pdb code 5ral). 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 -- Crystal Structure of JMJD1B in Complex with XS039332C, PDB code: 5ral:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 5ral

Go back to Manganese Binding Sites List in 5ral
Manganese binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with XS039332C


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 -- Crystal Structure of JMJD1B in Complex with XS039332C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1805

b:22.6
occ:1.00
NE2 A:HIS1560 2.1 21.4 1.0
OD2 A:ASP1562 2.2 25.5 1.0
NE2 A:HIS1689 2.2 19.5 1.0
CE1 A:HIS1689 3.0 21.9 1.0
CE1 A:HIS1560 3.1 21.5 1.0
CD2 A:HIS1560 3.1 22.1 1.0
CD2 A:HIS1689 3.2 20.0 1.0
CG A:ASP1562 3.4 35.0 1.0
O A:HOH1948 3.8 26.4 1.0
OD1 A:ASP1562 3.8 45.2 1.0
ND1 A:HIS1689 4.2 19.1 1.0
ND1 A:HIS1560 4.2 22.8 1.0
CG A:HIS1560 4.3 20.3 1.0
CG A:HIS1689 4.3 19.8 1.0
O A:HOH2173 4.4 36.9 1.0
OH A:TYR1541 4.5 29.3 1.0
CB A:ASP1562 4.8 29.4 1.0

Manganese binding site 2 out of 2 in 5ral

Go back to Manganese Binding Sites List in 5ral
Manganese binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with XS039332C


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 -- Crystal Structure of JMJD1B in Complex with XS039332C within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn1803

b:24.8
occ:1.00
OD2 B:ASP1562 2.1 25.2 1.0
NE2 B:HIS1689 2.1 23.1 1.0
NE2 B:HIS1560 2.2 26.2 1.0
CE1 B:HIS1689 3.0 26.5 1.0
CE1 B:HIS1560 3.1 29.3 1.0
CG B:ASP1562 3.1 27.0 1.0
CD2 B:HIS1560 3.2 26.8 1.0
CD2 B:HIS1689 3.3 26.4 1.0
OD1 B:ASP1562 3.5 29.4 1.0
ND1 B:HIS1689 4.2 25.2 1.0
ND1 B:HIS1560 4.2 25.3 1.0
CG B:HIS1689 4.3 24.5 1.0
CG B:HIS1560 4.3 26.4 1.0
OH B:TYR1541 4.4 27.9 1.0
CB B:ASP1562 4.5 25.6 1.0

Reference:

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 Human JMJD1B Screened Against the Dspl Fragment Library To Be Published.
Page generated: Tue Dec 15 04:46:05 2020

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