Cobalt in PDB 3s8k: Crystal Structure of A Papaya Latex Serine Protease Inhibitor (Ppi) at 1.7A Resolution

The structure of Crystal Structure of A Papaya Latex Serine Protease Inhibitor (Ppi) at 1.7A Resolution, PDB code: 3s8k was solved by A.Garcia-Pino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.68 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.262, 81.992, 140.891, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 19.9

The binding sites of Cobalt atom in the Crystal Structure of A Papaya Latex Serine Protease Inhibitor (Ppi) at 1.7A Resolution (pdb code 3s8k). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Crystal Structure of A Papaya Latex Serine Protease Inhibitor (Ppi) at 1.7A Resolution, PDB code: 3s8k:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Crystal Structure of A Papaya Latex Serine Protease Inhibitor (Ppi) at 1.7A Resolution


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of A Papaya Latex Serine Protease Inhibitor (Ppi) at 1.7A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Co185 b:24.6 occ:0.89 O A:HOH215 2.0 31.4 1.0 O A:HOH216 2.0 28.2 1.0 NE2 A:HIS117 2.1 29.9 1.0 CD2 A:HIS117 3.1 28.4 1.0 CE1 A:HIS117 3.1 33.8 1.0 ND1 A:HIS117 4.2 28.9 1.0 CG A:HIS117 4.2 28.3 1.0 O A:HOH379 4.4 48.9 1.0

Cobalt binding site 2 out of 2 in the Crystal Structure of A Papaya Latex Serine Protease Inhibitor (Ppi) at 1.7A Resolution


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of A Papaya Latex Serine Protease Inhibitor (Ppi) at 1.7A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Co186 b:20.9 occ:0.99 OD2 A:ASP52 1.9 20.8 1.0 OD2 A:ASP55 2.0 24.5 1.0 O A:HOH352 2.2 39.1 1.0 CG A:ASP52 2.7 20.3 1.0 CG A:ASP55 2.9 25.1 1.0 OD1 A:ASP52 2.9 23.0 1.0 OD1 A:ASP55 3.1 22.7 1.0 O A:HOH326 3.6 29.5 1.0 O A:HOH252 3.6 27.8 1.0 O A:HOH335 4.0 31.1 1.0 O A:HOH340 4.0 37.4 1.0 CB A:ASP52 4.1 21.3 1.0 CB A:ASP55 4.3 24.4 1.0 CB A:PHE54 4.3 23.9 1.0 CD2 A:PHE54 4.7 23.2 1.0 N A:ASP55 4.8 22.5 1.0 O A:HOH394 4.9 50.7 1.0 C A:PHE54 5.0 23.3 1.0

M.Azarkan, S.Martinez-Rodriguez, L.Buts, D.Baeyens-Volant, A.Garcia-Pino. The Plasticity of the Beta-Trefoil Fold Constitutes An Evolutionary Platform For Protease Inhibition J.Biol.Chem. V. 286 43726 2011.
ISSN: ISSN 0021-9258
PubMed: 22027836
DOI: 10.1074/JBC.M111.291310