Cobalt in PDB 1xuh: Trypsin-Keto-Babim-Co+2, pH 8.2

All present enzymatic activity of Trypsin-Keto-Babim-Co+2, pH 8.2:
3.4.21.4;

The structure of Trypsin-Keto-Babim-Co+2, pH 8.2, PDB code: 1xuh was solved by B.A.Katz, J.M.Clark, J.S.Finer-Moore, T.E.Jenkins, C.R.Johnson, M.J.Rose, C.Luong, W.R.Moore, R.M.Stroud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.990, 54.990, 109.630, 90.00, 90.00, 120.00
R / Rfree (%)	13.5 / 18.8

The structure of Trypsin-Keto-Babim-Co+2, pH 8.2 also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Cobalt atom in the Trypsin-Keto-Babim-Co+2, pH 8.2 (pdb code 1xuh). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total only one binding site of Cobalt was determined in the Trypsin-Keto-Babim-Co+2, pH 8.2, PDB code: 1xuh:

Cobalt binding site 1 out of 1 in the Trypsin-Keto-Babim-Co+2, pH 8.2


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Trypsin-Keto-Babim-Co+2, pH 8.2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co246 b:39.4 occ:1.00 N3' A:BAO369 1.8 42.0 1.0 OG A:SER195 1.9 15.8 1.0 N3 A:BAO369 2.2 30.8 1.0 NE2 A:HIS57 2.5 11.4 1.0 CB A:SER195 2.8 10.1 1.0 C4' A:BAO369 2.8 43.6 1.0 C8' A:BAO369 2.9 42.1 1.0 C8 A:BAO369 3.1 33.8 1.0 CD2 A:HIS57 3.3 8.1 1.0 C4 A:BAO369 3.3 27.1 1.0 C3' A:BAO369 3.3 44.3 1.0 C9 A:BAO369 3.3 39.5 1.0 CE1 A:HIS57 3.5 4.8 1.0 H1 A:HOH450 3.6 0.0 1.0 O A:HOH443 3.6 84.7 1.0 O A:HOH450 3.7 21.0 1.0 C3 A:BAO369 3.7 22.9 1.0 H2 A:HOH450 3.9 0.0 1.0 CA A:SER195 4.0 7.1 1.0 C5' A:BAO369 4.0 45.5 1.0 N4' A:BAO369 4.0 44.6 1.0 H2 A:HOH443 4.0 0.0 1.0 O A:SER214 4.1 2.0 1.0 H1 A:HOH443 4.1 0.0 1.0 H A:SER195 4.1 0.0 1.0 H A:GLY193 4.2 0.0 1.0 N4 A:BAO369 4.3 29.4 1.0 C5 A:BAO369 4.4 26.7 1.0 CG A:HIS57 4.4 7.8 1.0 O9 A:BAO369 4.5 38.3 1.0 ND1 A:HIS57 4.5 5.6 1.0 N A:SER195 4.5 6.9 1.0 C2' A:BAO369 4.7 45.9 1.0 CA A:GLN192 4.7 16.8 1.0 CG A:GLN192 4.8 26.0 0.4 HN4' A:BAO369 4.9 0.0 1.0

B.A.Katz, J.M.Clark, J.S.Finer-Moore, T.E.Jenkins, C.R.Johnson, M.J.Ross, C.Luong, W.R.Moore, R.M.Stroud. Design of Potent Selective Zinc-Mediated Serine Protease Inhibitors. Nature V. 391 608 1998.
ISSN: ISSN 0028-0836
PubMed: 9468142
DOI: 10.1038/35422