Calcium 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:

Cobalt

(Co)

1 atom

The binding sites of Calcium 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 Calcium atom.
In total only one binding site of Calcium was determined in the Trypsin-Keto-Babim-Co+2, pH 8.2, PDB code: 1xuh:

Calcium 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 Calcium with other atoms in the Ca 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:Ca247 b:29.2 occ:1.00 O A:VAL75 2.2 5.4 1.0 O A:HOH430 2.4 11.7 1.0 O A:HOH393 2.4 20.4 1.0 O A:ASN72 2.4 2.3 1.0 OE1 A:GLU70 2.4 11.9 1.0 OE2 A:GLU80 2.5 6.1 1.0 H1 A:HOH430 3.1 0.0 1.0 H1 A:HOH393 3.1 0.0 1.0 H2 A:HOH430 3.1 0.0 1.0 H2 A:HOH393 3.2 0.0 1.0 CD A:GLU70 3.3 9.9 1.0 C A:VAL75 3.3 4.7 1.0 OE2 A:GLU70 3.5 11.0 1.0 CD A:GLU80 3.5 9.3 1.0 C A:ASN72 3.6 7.2 1.0 CG A:GLU80 3.7 10.1 1.0 H A:VAL75 3.8 0.0 1.0 CA A:VAL76 3.8 9.3 1.0 H A:ASP71 3.9 0.0 1.0 N A:VAL76 3.9 6.6 1.0 H A:GLU77 4.0 0.0 1.0 N A:VAL75 4.2 4.4 1.0 N A:GLU77 4.3 16.1 1.0 H A:ASN72 4.3 0.0 1.0 CA A:VAL75 4.4 5.5 1.0 CA A:ILE73 4.4 9.2 1.0 CG A:GLU77 4.4 17.0 1.0 N A:ASN72 4.4 11.6 1.0 N A:ILE73 4.4 8.8 1.0 C A:VAL76 4.5 10.6 1.0 O A:HOH389 4.5 2.1 1.0 OE1 A:GLU77 4.5 19.9 1.0 CA A:ASN72 4.5 7.4 1.0 N A:ASP71 4.6 5.9 1.0 OE1 A:GLU80 4.6 15.2 1.0 CG A:GLU70 4.6 8.3 1.0 C A:ILE73 4.6 9.9 1.0 O A:HOH420 4.7 5.4 1.0 CA A:GLU70 4.8 9.9 1.0 N A:ASN74 4.8 8.7 1.0 H A:VAL76 4.8 0.0 1.0 CB A:ASN72 4.9 7.0 1.0 CB A:GLU77 4.9 15.8 1.0 H A:ASN74 4.9 0.0 1.0 H1 A:HOH389 4.9 0.0 1.0 CG2 A:VAL76 5.0 4.1 1.0 CD A:GLU77 5.0 21.7 1.0 CB A:GLU70 5.0 9.7 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