Calcium in PDB 1yyy: Trypsin Inhibitors with Rigid Tripeptidyl Aldehydes

All present enzymatic activity of Trypsin Inhibitors with Rigid Tripeptidyl Aldehydes:
3.4.21.4;

The structure of Trypsin Inhibitors with Rigid Tripeptidyl Aldehydes, PDB code: 1yyy was solved by R.Krishnan, E.Zhang, K.Hakansson, R.K.Arni, A.Tulinsky, M.S.L.Lim-Wilby, O.E.Levy, J.E.Semple, T.K.Brunck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.760, 63.140, 69.290, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the Trypsin Inhibitors with Rigid Tripeptidyl Aldehydes (pdb code 1yyy). 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 Inhibitors with Rigid Tripeptidyl Aldehydes, PDB code: 1yyy:

Calcium binding site 1 out of 1 in the Trypsin Inhibitors with Rigid Tripeptidyl Aldehydes


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Trypsin Inhibitors with Rigid Tripeptidyl Aldehydes within 5.0Å range: probe atom residue distance (Å) B Occ 1:Ca701 b:11.7 occ:0.75 OE1 1:GLU70 2.2 18.9 1.0 O 1:VAL75 2.3 14.3 1.0 O 1:ASN72 2.4 13.4 1.0 O 1:HOH409 2.4 11.8 0.8 O 1:HOH574 2.5 13.4 0.7 OE2 1:GLU80 2.6 10.7 1.0 CD 1:GLU70 3.3 16.7 1.0 C 1:VAL75 3.4 12.1 1.0 CD 1:GLU80 3.6 14.9 1.0 C 1:ASN72 3.7 13.8 1.0 CG 1:GLU80 3.7 13.8 1.0 OE2 1:GLU70 3.7 15.4 1.0 CA 1:VAL76 4.1 15.9 1.0 N 1:VAL76 4.2 12.9 1.0 OE1 1:GLU77 4.2 19.9 1.0 N 1:GLU77 4.2 14.8 1.0 N 1:VAL75 4.2 13.1 1.0 CA 1:ILE73 4.3 12.6 1.0 CG 1:GLU77 4.3 19.2 1.0 O 1:HOH401 4.4 13.0 0.9 N 1:ASN72 4.4 12.6 1.0 CA 1:VAL75 4.5 13.3 1.0 N 1:ILE73 4.5 13.4 1.0 CA 1:ASN72 4.5 12.3 1.0 C 1:ILE73 4.6 12.2 1.0 O 1:HOH498 4.6 16.8 0.8 N 1:ASP71 4.6 12.7 1.0 C 1:VAL76 4.6 16.4 1.0 CG 1:GLU70 4.6 12.4 1.0 CD 1:GLU77 4.7 21.1 1.0 OE1 1:GLU80 4.7 13.4 1.0 CA 1:GLU70 4.8 12.7 1.0 CB 1:GLU77 4.8 15.2 1.0 N 1:ASN74 4.8 12.3 1.0 CB 1:GLU70 4.9 13.7 1.0 CB 1:ASN72 4.9 9.9 1.0

R.Krishnan, E.Zhang, K.Hakansson, R.K.Arni, A.Tulinsky, M.S.Lim-Wilby, O.E.Levy, J.E.Semple, T.K.Brunck. Highly Selective Mechanism-Based Thrombin Inhibitors: Structures of Thrombin and Trypsin Inhibited with Rigid Peptidyl Aldehydes. Biochemistry V. 37 12094 1998.
ISSN: ISSN 0006-2960
PubMed: 9724521
DOI: 10.1021/BI980840E