Calcium in PDB 1xuj: Trypsin-Keto-Babim-Zn+2, pH 8.2

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

The structure of Trypsin-Keto-Babim-Zn+2, pH 8.2, PDB code: 1xuj 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 / 1.92
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	55.060, 55.060, 109.850, 90.00, 90.00, 120.00
R / Rfree (%)	14.4 / 17.1

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

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Trypsin-Keto-Babim-Zn+2, pH 8.2 (pdb code 1xuj). 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-Zn+2, pH 8.2, PDB code: 1xuj:

Calcium binding site 1 out of 1 in the Trypsin-Keto-Babim-Zn+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-Zn+2, pH 8.2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca247 b:26.7 occ:1.00 O A:VAL75 2.2 7.5 1.0 O A:ASN72 2.2 8.1 1.0 OE1 A:GLU70 2.3 10.4 1.0 O A:HOH309 2.4 6.2 1.0 O A:HOH271 2.4 7.2 1.0 OE2 A:GLU80 2.4 9.0 1.0 H1 A:HOH309 3.0 0.0 1.0 H1 A:HOH271 3.2 0.0 1.0 H2 A:HOH271 3.2 0.0 1.0 H2 A:HOH309 3.2 0.0 1.0 C A:VAL75 3.3 9.4 1.0 CD A:GLU70 3.4 12.6 1.0 C A:ASN72 3.4 7.5 1.0 CD A:GLU80 3.5 8.5 1.0 H A:VAL75 3.6 0.0 1.0 OE2 A:GLU70 3.7 12.5 1.0 H A:ASP71 3.8 0.0 1.0 H A:GLU77 3.8 0.0 1.0 CG A:GLU80 3.8 10.1 1.0 CA A:VAL76 4.0 10.4 1.0 N A:VAL76 4.0 8.8 1.0 N A:VAL75 4.1 9.2 1.0 N A:GLU77 4.2 13.8 1.0 CA A:ILE73 4.2 9.5 1.0 N A:ILE73 4.2 7.3 1.0 N A:ASN72 4.2 7.8 1.0 H A:ASN72 4.3 0.0 1.0 CA A:VAL75 4.3 9.5 1.0 OE1 A:GLU77 4.3 18.1 1.0 CA A:ASN72 4.3 7.0 1.0 O A:HOH267 4.5 8.5 1.0 CG A:GLU77 4.5 14.3 1.0 OE1 A:GLU80 4.5 12.2 1.0 N A:ASP71 4.5 8.5 1.0 C A:ILE73 4.5 8.7 1.0 C A:VAL76 4.5 13.2 1.0 CB A:ASN72 4.6 7.8 1.0 CG A:GLU70 4.7 11.1 1.0 CB A:GLU77 4.7 13.3 1.0 O A:HOH299 4.8 10.7 1.0 CA A:GLU70 4.8 7.9 1.0 N A:ASN74 4.9 8.7 1.0 O A:ILE73 4.9 7.7 1.0 CD A:GLU77 4.9 16.2 1.0 C A:ASP71 4.9 9.2 1.0 CB A:GLU70 4.9 8.1 1.0 H1 A:HOH267 4.9 0.0 1.0 H A:VAL76 5.0 0.0 1.0 CB A:VAL75 5.0 10.9 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