Calcium in PDB 3rxm: Crystal Structure of Trypsin Complexed with [2-(2-Thienyl)Thiazol-4- Yl]Methanamine

All present enzymatic activity of Crystal Structure of Trypsin Complexed with [2-(2-Thienyl)Thiazol-4- Yl]Methanamine:
3.4.21.4;

The structure of Crystal Structure of Trypsin Complexed with [2-(2-Thienyl)Thiazol-4- Yl]Methanamine, PDB code: 3rxm was solved by J.Yamane, M.Yao, Y.Zhou, I.Tanaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.405, 58.172, 66.895, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 18.5

The binding sites of Calcium atom in the Crystal Structure of Trypsin Complexed with [2-(2-Thienyl)Thiazol-4- Yl]Methanamine (pdb code 3rxm). 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 [2-(2-Thienyl)Thiazol-4- Yl]Methanamine, PDB code: 3rxm:

Calcium binding site 1 out of 1 in the Crystal Structure of Trypsin Complexed with [2-(2-Thienyl)Thiazol-4- Yl]Methanamine


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 [2-(2-Thienyl)Thiazol-4- Yl]Methanamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:10.0 occ:1.00 O A:VAL75 2.2 9.2 1.0 OE1 A:GLU70 2.2 8.2 1.0 O A:ASN72 2.3 8.2 1.0 O A:HOH327 2.3 7.9 1.0 OE2 A:GLU80 2.4 10.0 1.0 O A:HOH16 2.4 10.4 1.0 CD A:GLU70 3.3 8.2 1.0 C A:VAL75 3.4 9.3 1.0 CD A:GLU80 3.4 10.1 1.0 C A:ASN72 3.5 8.2 1.0 CG A:GLU80 3.7 10.2 1.0 OE2 A:GLU70 3.8 8.2 1.0 CA A:VAL76 4.1 9.8 1.0 N A:GLU77 4.2 10.4 1.0 N A:VAL76 4.2 9.5 1.0 CA A:ILE73 4.2 8.3 1.0 N A:VAL75 4.2 8.9 1.0 OE1 A:GLU77 4.3 10.9 1.0 N A:ILE73 4.3 8.2 1.0 CA A:VAL75 4.4 9.1 1.0 N A:ASN72 4.4 8.2 1.0 CA A:ASN72 4.4 8.2 1.0 CG A:GLU77 4.5 10.9 1.0 C A:ILE73 4.5 8.3 1.0 O A:HOH331 4.5 8.9 1.0 OE1 A:GLU80 4.5 10.1 1.0 N A:ASP71 4.5 8.3 1.0 CG A:GLU70 4.6 8.2 1.0 C A:VAL76 4.6 10.1 1.0 CA A:GLU70 4.7 8.3 1.0 O A:ILE73 4.8 8.2 1.0 CB A:GLU77 4.8 10.8 1.0 CD A:GLU77 4.8 11.0 1.0 CB A:GLU70 4.8 8.3 1.0 O A:DMS4 4.9 13.7 1.0 CB A:ASN72 4.9 8.2 1.0 N A:ASN74 4.9 8.5 1.0 C A:ASP71 4.9 8.3 1.0

J.Yamane, M.Yao, Y.Zhou, Y.Hiramatsu, K.Fujiwara, T.Yamaguchi, H.Yamaguchi, H.Togame, H.Tsujishita, H.Takemoto, I.Tanaka. In-Crystal Affinity Ranking of Fragment Hit Compounds Reveals A Relationship with Their Inhibitory Activities J.Appl.Crystallogr. V. 44 798 2011.
ISSN: ISSN 0021-8898
DOI: 10.1107/S0021889811017717