Calcium in PDB 3a8a: Crystal Structure of Trypsin Complexed with 4-Formylbenzimidamide and Aniline

All present enzymatic activity of Crystal Structure of Trypsin Complexed with 4-Formylbenzimidamide and Aniline:
3.4.21.4;

The structure of Crystal Structure of Trypsin Complexed with 4-Formylbenzimidamide and Aniline, PDB code: 3a8a was solved by J.Yamane, M.Yao, I.Tanaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.80 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.316, 58.433, 66.316, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 18.7

The binding sites of Calcium atom in the Crystal Structure of Trypsin Complexed with 4-Formylbenzimidamide and Aniline (pdb code 3a8a). 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 Trypsin Complexed with 4-Formylbenzimidamide and Aniline, PDB code: 3a8a:

Calcium binding site 1 out of 1 in the Crystal Structure of Trypsin Complexed with 4-Formylbenzimidamide and Aniline


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 Trypsin Complexed with 4-Formylbenzimidamide and Aniline within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:7.9 occ:1.00 O A:VAL75 2.2 6.6 1.0 OE1 A:GLU70 2.2 7.5 1.0 O A:HOH378 2.3 7.9 1.0 OE2 A:GLU80 2.4 7.0 1.0 O A:ASN72 2.4 4.7 1.0 O A:HOH376 2.4 10.4 1.0 CD A:GLU70 3.3 6.3 1.0 C A:VAL75 3.3 6.3 1.0 CD A:GLU80 3.4 6.2 1.0 C A:ASN72 3.5 4.9 1.0 OE2 A:GLU70 3.8 6.7 1.0 CG A:GLU80 3.8 6.1 1.0 CA A:VAL76 4.1 6.8 1.0 N A:VAL76 4.1 6.3 1.0 N A:GLU77 4.2 6.6 1.0 N A:VAL75 4.2 5.3 1.0 OE1 A:GLU77 4.2 8.0 1.0 CA A:ILE73 4.3 4.9 1.0 N A:ILE73 4.4 4.6 1.0 N A:ASN72 4.4 4.6 1.0 CA A:VAL75 4.4 5.9 1.0 CA A:ASN72 4.5 4.9 1.0 CG A:GLU77 4.5 7.4 1.0 O A:HOH573 4.5 24.9 1.0 N A:ASP71 4.5 4.1 1.0 O A:HOH13 4.5 7.6 1.0 OE1 A:GLU80 4.6 5.9 1.0 C A:ILE73 4.6 4.3 1.0 CG A:GLU70 4.6 4.9 1.0 C A:VAL76 4.6 6.9 1.0 CA A:GLU70 4.7 4.0 1.0 CD A:GLU77 4.8 8.2 1.0 CB A:GLU77 4.8 7.3 1.0 CB A:GLU70 4.8 4.5 1.0 CB A:ASN72 4.9 5.2 1.0 N A:ASN74 4.9 4.6 1.0 O A:ILE73 5.0 4.9 1.0 C A:ASP71 5.0 4.7 1.0

J.Yamane, N.Ooyabu, M.Yao, H.Takemoto, I.Tanaka. In-Crystal Chemical Ligation For Drug Discovery To Be Published.