Calcium in PDB 2ftm: Crystal Structure of Trypsin Complexed with the Bpti Variant (TYR35- >Gly)

All present enzymatic activity of Crystal Structure of Trypsin Complexed with the Bpti Variant (TYR35- >Gly):
3.4.21.4;

The structure of Crystal Structure of Trypsin Complexed with the Bpti Variant (TYR35- >Gly), PDB code: 2ftm was solved by W.M.Hanson, M.P.Horvath, D.P.Goldenberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.65
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.591, 81.736, 123.595, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 22

The structure of Crystal Structure of Trypsin Complexed with the Bpti Variant (TYR35- >Gly) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Trypsin Complexed with the Bpti Variant (TYR35- >Gly) (pdb code 2ftm). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Trypsin Complexed with the Bpti Variant (TYR35- >Gly), PDB code: 2ftm:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Trypsin Complexed with the Bpti Variant (TYR35- >Gly)


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 the Bpti Variant (TYR35- >Gly) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2002 b:19.0 occ:1.00 O A:VAL75 2.2 25.2 1.0 OE2 A:GLU70 2.3 16.9 1.0 O A:HOH409 2.3 20.8 1.0 OE2 A:GLU80 2.3 20.0 1.0 O A:ASN72 2.4 18.5 1.0 O A:HOH405 2.4 20.7 1.0 CD A:GLU70 3.3 15.7 1.0 C A:VAL75 3.3 26.4 1.0 CD A:GLU80 3.4 20.9 1.0 C A:ASN72 3.5 18.9 1.0 CG A:GLU80 3.7 21.5 1.0 OE1 A:GLU70 3.7 15.5 1.0 N A:GLU77 4.1 31.5 1.0 CA A:VAL76 4.1 29.3 1.0 N A:VAL76 4.1 27.5 1.0 N A:VAL75 4.2 24.4 1.0 CA A:ILE73 4.3 19.6 0.5 OE1 A:GLU77 4.3 29.8 1.0 N A:ILE73 4.3 19.2 0.5 CA A:VAL75 4.4 25.3 1.0 CG A:GLU77 4.4 31.7 1.0 N A:ILE73 4.4 19.8 0.5 N A:ASN72 4.4 18.0 1.0 OE1 A:GLU80 4.5 22.6 1.0 CA A:ASN72 4.5 18.0 1.0 CA A:ILE73 4.5 20.3 0.5 C A:ILE73 4.5 20.6 0.5 C A:VAL76 4.5 30.3 1.0 O A:HOH430 4.6 21.4 1.0 CG A:GLU70 4.6 16.9 1.0 N A:ASP71 4.6 17.0 1.0 C A:ILE73 4.6 21.1 0.5 CB A:ASN72 4.7 18.8 1.0 CB A:GLU77 4.7 32.4 1.0 O A:ILE73 4.8 19.6 0.5 CD A:GLU77 4.8 32.5 1.0 CA A:GLU70 4.8 15.8 1.0 CB A:GLU70 4.9 16.4 1.0 O A:HOH615 4.9 37.3 1.0 O A:ILE73 5.0 19.4 0.5 N A:ASN74 5.0 21.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Trypsin Complexed with the Bpti Variant (TYR35- >Gly)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Trypsin Complexed with the Bpti Variant (TYR35- >Gly) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2003 b:16.5 occ:0.50 CG B:GLN31 2.3 8.2 0.5 N B:THR32 2.9 9.3 1.0 O B:HOH513 2.9 28.6 1.0 CB B:GLN31 2.9 12.1 0.5 CB B:GLN31 3.1 7.8 0.5 CA B:GLN31 3.2 10.6 0.5 CA B:GLN31 3.2 8.8 0.5 CG B:GLN31 3.3 15.2 0.5 OG1 B:THR32 3.5 10.1 1.0 C B:GLN31 3.5 10.4 0.5 C B:GLN31 3.5 9.4 0.5 CA B:THR32 4.0 9.1 1.0 CD B:GLN31 4.0 15.7 0.5 O B:THR32 4.1 10.9 1.0 CB B:THR32 4.2 10.5 1.0 OE1 B:GLN31 4.2 18.6 0.5 C B:THR32 4.5 10.8 1.0 CG2 B:THR32 4.5 11.3 1.0 N B:GLN31 4.6 10.3 0.5 N B:GLN31 4.6 9.1 0.5 O B:GLN31 4.7 10.7 0.5 O B:GLN31 4.7 10.0 0.5 NE2 B:GLN31 4.8 17.3 0.5 O B:CYS30 4.9 12.1 1.0

W.M.Hanson, G.J.Domek, M.P.Horvath, D.P.Goldenberg. Rigidification of A Flexible Protease Inhibitor Variant Upon Binding to Trypsin. J.Mol.Biol. V. 366 230 2007.
ISSN: ISSN 0022-2836
PubMed: 17157870
DOI: 10.1016/J.JMB.2006.11.003