Calcium in PDB 3qk1: Crystal Structure of Enterokinase-Like Trypsin Variant

All present enzymatic activity of Crystal Structure of Enterokinase-Like Trypsin Variant:
3.4.21.4;

The structure of Crystal Structure of Enterokinase-Like Trypsin Variant, PDB code: 3qk1 was solved by M.Schoepfel, A.Tziridis, U.Arnold, M.T.Stubbs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.19 / 2.08
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.710, 63.760, 69.690, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 23.7

The binding sites of Calcium atom in the Crystal Structure of Enterokinase-Like Trypsin Variant (pdb code 3qk1). 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 Crystal Structure of Enterokinase-Like Trypsin Variant, PDB code: 3qk1:

Calcium binding site 1 out of 1 in the Crystal Structure of Enterokinase-Like Trypsin Variant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Enterokinase-Like Trypsin Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1000 b:21.4 occ:1.00 OE2 A:GLU80 2.1 18.2 1.0 O A:HOH2020 2.3 15.8 1.0 O A:VAL75 2.3 23.7 1.0 OE1 A:GLU70 2.4 15.3 1.0 O A:ASN72 2.4 19.0 1.0 O A:HOH2034 2.5 15.6 1.0 CD A:GLU80 3.2 21.6 1.0 CD A:GLU70 3.4 15.6 1.0 C A:VAL75 3.4 23.8 1.0 CG A:GLU80 3.6 19.1 1.0 C A:ASN72 3.6 18.4 1.0 OE2 A:GLU70 3.8 16.4 1.0 CA A:VAL76 4.2 21.9 1.0 N A:GLU77 4.2 20.9 1.0 N A:VAL76 4.2 23.0 1.0 CA A:ILE73 4.3 18.1 1.0 OE1 A:GLU80 4.3 17.2 1.0 N A:VAL75 4.3 24.3 1.0 OE1 A:GLU77 4.4 25.2 1.0 N A:ILE73 4.4 18.1 1.0 O A:HOH2052 4.4 16.8 1.0 CG A:GLU77 4.5 17.9 1.0 N A:ASN72 4.5 18.3 1.0 CA A:VAL75 4.5 24.2 1.0 CA A:ASN72 4.5 18.6 1.0 C A:ILE73 4.5 19.1 1.0 O A:HOH2031 4.6 32.1 1.0 C A:VAL76 4.7 22.6 1.0 N A:ASP71 4.7 18.2 1.0 CG A:GLU70 4.7 15.9 1.0 CB A:GLU77 4.8 19.8 1.0 CB A:ASN72 4.8 18.1 1.0 N A:ASN74 4.9 21.2 1.0 CD A:GLU77 4.9 22.8 1.0 CA A:GLU70 4.9 16.8 1.0 O A:ILE73 4.9 17.8 1.0 CB A:GLU70 5.0 15.7 1.0

M.Schopfel, A.Tziridis, U.Arnold, M.T.Stubbs. Towards A Restriction Proteinase: Construction of A Self-Activating Enzyme. Chembiochem V. 12 1523 2011.
ISSN: ISSN 1439-4227
PubMed: 21387509
DOI: 10.1002/CBIC.201000787