Calcium in PDB 6bvh: Trypsin Complexed with A Modified Sunflower Trypsin Inhibitor, Sfti- Tctr(N12,N14)

All present enzymatic activity of Trypsin Complexed with A Modified Sunflower Trypsin Inhibitor, Sfti- Tctr(N12,N14):
3.4.21.4;

The structure of Trypsin Complexed with A Modified Sunflower Trypsin Inhibitor, Sfti- Tctr(N12,N14), PDB code: 6bvh was solved by B.T.Riley, X.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.66 / 1.93
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.680, 63.240, 69.320, 90.00, 90.00, 90.00
R / Rfree (%)	13.2 / 15.8

The binding sites of Calcium atom in the Trypsin Complexed with A Modified Sunflower Trypsin Inhibitor, Sfti- Tctr(N12,N14) (pdb code 6bvh). 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 Trypsin Complexed with A Modified Sunflower Trypsin Inhibitor, Sfti- Tctr(N12,N14), PDB code: 6bvh:

Calcium binding site 1 out of 1 in the Trypsin Complexed with A Modified Sunflower Trypsin Inhibitor, Sfti- Tctr(N12,N14)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Trypsin Complexed with A Modified Sunflower Trypsin Inhibitor, Sfti- Tctr(N12,N14) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:13.3 occ:1.00 OE1 A:GLU70 2.3 8.1 1.0 OE2 A:GLU80 2.3 13.4 1.0 O A:HOH505 2.3 12.1 1.0 O A:VAL75 2.3 13.5 1.0 O A:ASN72 2.3 12.9 1.0 O A:HOH408 2.4 15.0 1.0 CD A:GLU80 3.3 13.8 1.0 CD A:GLU70 3.4 11.7 1.0 C A:VAL75 3.5 17.7 1.0 C A:ASN72 3.5 11.8 1.0 CG A:GLU80 3.6 13.5 1.0 OE2 A:GLU70 3.8 12.5 1.0 N A:GLU77 4.1 12.5 1.0 CA A:ILE73 4.2 11.4 1.0 OE1 A:GLU77 4.2 18.2 1.0 CA A:VAL76 4.2 18.4 1.0 N A:VAL76 4.3 12.7 1.0 N A:VAL75 4.3 17.1 1.0 CG A:GLU77 4.3 18.8 1.0 O A:HOH434 4.3 16.5 1.0 N A:ILE73 4.3 10.1 1.0 N A:ASN72 4.4 10.5 1.0 C A:ILE73 4.4 15.1 1.0 CA A:ASN72 4.4 9.8 1.0 OE1 A:GLU80 4.4 13.0 1.0 CA A:VAL75 4.5 16.4 1.0 N A:ASP71 4.6 11.6 1.0 CG A:GLU70 4.7 10.9 1.0 C A:VAL76 4.7 13.1 1.0 O A:HOH530 4.7 18.4 1.0 CB A:GLU77 4.7 19.2 1.0 CD A:GLU77 4.7 18.1 1.0 CB A:ASN72 4.8 10.9 1.0 O A:ILE73 4.8 11.5 1.0 CA A:GLU70 4.8 10.0 1.0 N A:ASN74 4.8 12.6 1.0 CB A:GLU70 4.9 8.9 1.0

X.Chen, B.T.Riley, S.J.De Veer, D.E.Hoke, J.Van Haeften, D.Leahy, J.E.Swedberg, M.Brattsand, P.J.Hartfield, A.M.Buckle, J.M.Harris. Potent, Multi-Target Serine Protease Inhibition Achieved By A Simplified Beta-Sheet Motif. Plos One V. 14 10842 2019.
ISSN: ESSN 1932-6203
PubMed: 30668585
DOI: 10.1371/JOURNAL.PONE.0210842