Manganese in PDB 8j1k: Co-Crystal Structure of Non-Carboxylic Acid Inhibitor with PHD2

All present enzymatic activity of Co-Crystal Structure of Non-Carboxylic Acid Inhibitor with PHD2:
1.14.11.29;

The structure of Co-Crystal Structure of Non-Carboxylic Acid Inhibitor with PHD2, PDB code: 8j1k was solved by J.Xu, Y.Fu, X.Ding, Q.Meng, L.Wang, M.Zhang, X.Ding, F.Ren, A.Zhavoronkov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.20 / 2.45
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	80.843, 80.843, 63.899, 90, 90, 120
R / Rfree (%)	24.2 / 30.8

The binding sites of Manganese atom in the Co-Crystal Structure of Non-Carboxylic Acid Inhibitor with PHD2 (pdb code 8j1k). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Co-Crystal Structure of Non-Carboxylic Acid Inhibitor with PHD2, PDB code: 8j1k:

Manganese binding site 1 out of 1 in the Co-Crystal Structure of Non-Carboxylic Acid Inhibitor with PHD2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Co-Crystal Structure of Non-Carboxylic Acid Inhibitor with PHD2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn502 b:54.4 occ:1.00 O A:HOH601 1.8 52.5 1.0 O28 A:SY6501 1.8 61.3 1.0 OD2 A:ASP315 1.8 54.2 1.0 NE2 A:HIS374 1.8 55.4 1.0 NE2 A:HIS313 1.8 60.3 1.0 N14 A:SY6501 1.9 62.0 1.0 C18 A:SY6501 2.5 61.4 1.0 C15 A:SY6501 2.5 62.4 1.0 CE1 A:HIS313 2.7 62.6 1.0 CE1 A:HIS374 2.8 55.3 1.0 CD2 A:HIS374 2.9 54.2 1.0 CD2 A:HIS313 2.9 57.9 1.0 CG A:ASP315 3.0 55.7 1.0 C13 A:SY6501 3.0 63.7 1.0 OD1 A:ASP315 3.4 57.5 1.0 N19 A:SY6501 3.8 63.9 1.0 ND1 A:HIS313 3.9 57.1 1.0 ND1 A:HIS374 3.9 52.4 1.0 C16 A:SY6501 3.9 63.0 1.0 CG A:HIS313 4.0 58.7 1.0 CG A:HIS374 4.0 53.4 1.0 C11 A:SY6501 4.2 61.9 1.0 CB A:ASP315 4.3 56.7 1.0 O A:HOH609 4.5 50.1 1.0 C10 A:SY6501 4.6 63.6 1.0 C20 A:SY6501 4.7 66.4 1.0 CA A:ASP315 4.7 57.7 1.0 N A:ASP315 4.9 58.3 1.0 O17 A:SY6501 4.9 64.3 1.0 CZ A:PHE366 5.0 53.6 1.0

J.Xu, Y.Fu, X.Ding, Q.Meng, L.Wang, Z.Man, X.Ding, F.Ren, A.Zhavoronkov. Co-Crystal Structure of Non-Carboxylic Acid Inhibitor with PHD2 To Be Published.