Calcium in PDB 1jrs: Hemiacetal Complex Between Leupeptin and Trypsin

All present enzymatic activity of Hemiacetal Complex Between Leupeptin and Trypsin:
3.4.21.4;

The structure of Hemiacetal Complex Between Leupeptin and Trypsin, PDB code: 1jrs was solved by I.V.Kurinov, R.W.Harrison, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.686, 69.373, 63.013, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20.7

The binding sites of Calcium atom in the Hemiacetal Complex Between Leupeptin and Trypsin (pdb code 1jrs). 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 Hemiacetal Complex Between Leupeptin and Trypsin, PDB code: 1jrs:

Calcium binding site 1 out of 1 in the Hemiacetal Complex Between Leupeptin and Trypsin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Hemiacetal Complex Between Leupeptin and Trypsin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca901 b:16.4 occ:1.00 O A:HOH1072 1.7 31.9 1.0 O A:HOH1033 2.0 15.8 1.0 O A:VAL75 2.1 20.7 1.0 O A:ASN72 2.2 18.9 1.0 OE1 A:GLU70 2.3 19.3 1.0 OE2 A:GLU80 2.4 14.6 1.0 H2 A:HOH1072 2.5 20.0 1.0 H1 A:HOH1072 2.5 20.0 1.0 H1 A:HOH1033 2.8 20.0 1.0 H2 A:HOH1033 2.8 20.0 1.0 C A:VAL75 3.4 18.7 1.0 CD A:GLU70 3.4 19.0 1.0 CD A:GLU80 3.4 15.0 1.0 C A:ASN72 3.4 17.5 1.0 H A:VAL75 3.7 20.0 1.0 OE2 A:GLU70 3.8 20.6 1.0 CG A:GLU80 3.8 14.8 1.0 H A:GLU77 3.8 20.0 1.0 CA A:VAL76 4.0 18.9 1.0 H A:ASP71 4.0 20.0 1.0 N A:VAL76 4.1 17.5 1.0 CA A:ILE73 4.2 19.1 1.0 O A:HOH1039 4.2 19.1 1.0 N A:VAL75 4.3 19.1 1.0 N A:ILE73 4.3 16.9 1.0 N A:GLU77 4.3 18.8 1.0 CG A:GLU77 4.3 21.8 1.0 OE1 A:GLU77 4.3 22.3 1.0 CA A:VAL75 4.4 19.7 1.0 C A:ILE73 4.4 19.8 1.0 CA A:ASN72 4.5 17.8 1.0 N A:ASN72 4.5 17.8 1.0 O A:HOH1086 4.5 35.0 1.0 OE1 A:GLU80 4.5 15.8 1.0 C A:VAL76 4.6 18.9 1.0 H A:ASN72 4.6 20.0 1.0 O A:ILE73 4.7 20.3 1.0 CG A:GLU70 4.7 18.0 1.0 N A:ASP71 4.7 17.0 1.0 CD A:GLU77 4.7 22.1 1.0 CB A:ASN72 4.7 18.1 1.0 CA A:GLU70 4.9 16.2 1.0 H2 A:HOH1039 4.9 20.0 1.0 CB A:GLU70 4.9 18.0 1.0 N A:ASN74 4.9 19.7 1.0 CB A:GLU77 5.0 20.1 1.0 H1 A:HOH1039 5.0 20.0 1.0

I.V.Kurinov, R.W.Harrison. Two Crystal Structures of the Leupeptin-Trypsin Complex. Protein Sci. V. 5 752 1996.
ISSN: ISSN 0961-8368
PubMed: 8845765