Calcium in PDB 2ftl: Crystal Structure of Trypsin Complexed with Bpti at 100K

All present enzymatic activity of Crystal Structure of Trypsin Complexed with Bpti at 100K:
3.4.21.4;

The structure of Crystal Structure of Trypsin Complexed with Bpti at 100K, PDB code: 2ftl 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 / 1.62
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.726, 81.906, 124.261, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 22.7

The structure of Crystal Structure of Trypsin Complexed with Bpti at 100K also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Trypsin Complexed with Bpti at 100K (pdb code 2ftl). 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 Bpti at 100K, PDB code: 2ftl:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Trypsin Complexed with Bpti at 100K


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 Bpti at 100K within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca1002 b:16.2 occ:1.00 O E:VAL75 2.2 22.3 1.0 OE2 E:GLU70 2.3 13.8 1.0 OE2 E:GLU80 2.3 18.6 1.0 O E:HOH1023 2.3 16.7 1.0 O E:ASN72 2.4 15.5 1.0 O E:HOH1019 2.4 16.8 1.0 CD E:GLU80 3.3 19.7 1.0 CD E:GLU70 3.3 13.1 1.0 C E:VAL75 3.3 22.9 1.0 C E:ASN72 3.5 15.9 1.0 CG E:GLU80 3.7 20.2 1.0 OE1 E:GLU70 3.7 13.6 1.0 N E:GLU77 4.1 27.0 1.0 CA E:VAL76 4.1 25.6 1.0 N E:VAL76 4.1 24.1 1.0 N E:VAL75 4.2 20.0 1.0 OE1 E:GLU77 4.4 26.1 1.0 CA E:VAL75 4.4 21.6 1.0 N E:ASN72 4.4 15.4 1.0 N E:ILE73 4.4 16.6 1.0 OE1 E:GLU80 4.5 20.6 1.0 CA E:ASN72 4.5 15.3 1.0 CG E:GLU77 4.5 27.3 1.0 CA E:ILE73 4.5 18.1 1.0 C E:VAL76 4.5 26.5 1.0 O E:HOH1060 4.6 19.3 1.0 C E:ILE73 4.6 18.2 1.0 CG E:GLU70 4.6 14.4 1.0 N E:ASP71 4.6 15.7 1.0 CB E:ASN72 4.7 14.9 1.0 CB E:GLU77 4.8 27.9 1.0 O E:HOH1112 4.8 31.8 1.0 CA E:GLU70 4.8 14.9 1.0 CD E:GLU77 4.9 27.9 1.0 O E:ILE73 4.9 16.3 1.0 CB E:GLU70 4.9 14.8 1.0 N E:ASN74 5.0 18.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Trypsin Complexed with Bpti at 100K


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 Bpti at 100K within 5.0Å range: probe atom residue distance (Å) B Occ I:Ca1003 b:13.8 occ:0.50 CG I:GLN31 2.4 6.3 0.5 O I:HOH922 2.8 28.3 1.0 N I:THR32 2.9 6.9 1.0 CB I:GLN31 2.9 9.2 0.5 CB I:GLN31 3.1 5.7 0.5 CA I:GLN31 3.2 8.2 0.5 CA I:GLN31 3.3 6.8 0.5 CG I:GLN31 3.4 11.7 0.5 OG1 I:THR32 3.4 8.5 1.0 C I:GLN31 3.5 8.0 0.5 C I:GLN31 3.6 7.2 0.5 CA I:THR32 4.0 6.8 1.0 CD I:GLN31 4.0 13.6 0.5 O I:THR32 4.0 8.9 1.0 CB I:THR32 4.2 8.1 1.0 OE1 I:GLN31 4.3 15.5 0.5 C I:THR32 4.5 7.8 1.0 CG2 I:THR32 4.6 9.5 1.0 N I:GLN31 4.6 8.3 0.5 N I:GLN31 4.6 7.4 0.5 O I:GLN31 4.8 9.0 0.5 O I:GLN31 4.8 8.7 0.5 NE2 I:GLN31 4.8 15.8 0.5 O I:CYS30 4.9 9.8 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