Calcium in PDB 1oyv: Crystal Structure of Tomato Inhibitor-II in A Ternary Complex with Subtilisin Carlsberg

All present enzymatic activity of Crystal Structure of Tomato Inhibitor-II in A Ternary Complex with Subtilisin Carlsberg:
3.4.21.62;

The structure of Crystal Structure of Tomato Inhibitor-II in A Ternary Complex with Subtilisin Carlsberg, PDB code: 1oyv was solved by I.H.Barrette-Ng, K.K.Ng, M.M.Cherney, G.Pearce, C.A.Ryan, M.N.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	154.971, 55.099, 91.338, 90.00, 119.54, 90.00
R / Rfree (%)	21.4 / 27

The binding sites of Calcium atom in the Crystal Structure of Tomato Inhibitor-II in A Ternary Complex with Subtilisin Carlsberg (pdb code 1oyv). 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 Tomato Inhibitor-II in A Ternary Complex with Subtilisin Carlsberg, PDB code: 1oyv:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Tomato Inhibitor-II in A Ternary Complex with Subtilisin Carlsberg


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 Tomato Inhibitor-II in A Ternary Complex with Subtilisin Carlsberg within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca276 b:34.3 occ:1.00 O A:THR79 2.3 27.1 1.0 O A:VAL81 2.3 21.6 1.0 OE1 A:GLN2 2.3 30.4 1.0 OD1 A:ASN77 2.4 20.7 1.0 OD1 A:ASP41 2.4 26.5 1.0 O A:LEU75 2.7 25.6 1.0 CG A:ASP41 3.2 28.5 1.0 OD2 A:ASP41 3.2 27.1 1.0 CD A:GLN2 3.2 29.8 1.0 C A:THR79 3.4 27.0 1.0 C A:VAL81 3.4 25.1 1.0 CG A:ASN77 3.5 27.2 1.0 CG A:GLN2 3.6 29.2 1.0 N A:VAL81 3.8 26.9 1.0 N A:ASN77 3.8 28.3 1.0 C A:LEU75 3.8 27.0 1.0 C A:GLY80 4.0 27.8 1.0 N A:THR79 4.0 29.7 1.0 CA A:VAL81 4.2 24.9 1.0 ND2 A:ASN77 4.2 27.5 1.0 OG1 A:THR79 4.2 34.3 1.0 CA A:THR79 4.2 28.4 1.0 N A:GLY80 4.3 26.8 1.0 CB A:GLN2 4.3 29.0 1.0 CA A:GLY80 4.4 25.7 1.0 NE2 A:GLN2 4.4 32.6 1.0 O A:ASN77 4.5 34.0 1.0 C A:ASN77 4.5 30.8 1.0 O A:GLY80 4.5 27.7 1.0 N A:LEU82 4.5 22.4 1.0 CA A:ASN77 4.5 28.3 1.0 CA A:ASP76 4.6 28.2 1.0 CB A:ASP41 4.6 27.2 1.0 CB A:ASN77 4.6 26.1 1.0 N A:ASP76 4.7 26.9 1.0 C A:ASP76 4.7 29.0 1.0 CA A:LEU82 4.7 22.2 1.0 CA A:LEU75 4.8 27.3 1.0 CB A:THR79 4.9 29.6 1.0 N A:LEU75 4.9 24.6 1.0 N A:THR78 5.0 31.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Tomato Inhibitor-II in A Ternary Complex with Subtilisin Carlsberg


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 Tomato Inhibitor-II in A Ternary Complex with Subtilisin Carlsberg within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca276 b:67.3 occ:1.00 O B:THR79 2.2 57.0 1.0 OE1 B:GLN2 2.3 58.5 1.0 O B:VAL81 2.4 42.8 1.0 OD1 B:ASP41 2.4 49.5 1.0 OD1 B:ASN77 2.7 57.0 1.0 O B:LEU75 2.9 47.1 1.0 OD2 B:ASP41 2.9 52.0 1.0 CG B:ASP41 3.0 50.0 1.0 CD B:GLN2 3.2 59.3 1.0 C B:THR79 3.3 57.6 1.0 CG B:ASN77 3.4 56.4 1.0 N B:VAL81 3.5 46.3 1.0 C B:VAL81 3.5 42.8 1.0 CG B:GLN2 3.5 60.3 1.0 ND2 B:ASN77 3.6 55.9 1.0 C B:GLY80 3.8 48.2 1.0 CA B:GLY80 4.0 50.6 1.0 CA B:VAL81 4.1 43.8 1.0 N B:GLY80 4.1 55.4 1.0 C B:LEU75 4.1 47.8 1.0 N B:ASN77 4.1 56.1 1.0 N B:THR79 4.2 62.3 1.0 CA B:THR79 4.3 60.8 1.0 NE2 B:GLN2 4.4 59.9 1.0 CB B:GLN2 4.4 57.9 1.0 CB B:ASP41 4.5 46.2 1.0 O B:GLY80 4.5 47.6 1.0 N B:LEU82 4.6 41.5 1.0 CB B:ASN77 4.7 56.9 1.0 CA B:ASN77 4.8 57.6 1.0 C B:ASN77 4.9 59.4 1.0 CA B:LEU82 4.9 39.2 1.0 N B:THR78 4.9 61.5 1.0 CA B:ASP76 5.0 52.0 1.0 N B:ASP76 5.0 49.5 1.0

I.H.Barrette-Ng, K.K.Ng, M.M.Cherney, G.Pearce, C.A.Ryan, M.N.James. Structural Basis of Inhibition Revealed By A 1:2 Complex of the Two-Headed Tomato Inhibitor-II and Subtilisin Carlsberg J.Biol.Chem. V. 278 24062 2003.
ISSN: ISSN 0021-9258
PubMed: 12684499
DOI: 10.1074/JBC.M302020200