Calcium in PDB 3myw: The Bowman-Birk Type Inhibitor From Mung Bean in Ternary Complex with Porcine Trypsin

All present enzymatic activity of The Bowman-Birk Type Inhibitor From Mung Bean in Ternary Complex with Porcine Trypsin:
3.4.21.4;

The structure of The Bowman-Birk Type Inhibitor From Mung Bean in Ternary Complex with Porcine Trypsin, PDB code: 3myw was solved by R.A.Engh, W.Bode, R.Huber, G.Lin, C.Chi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.50
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	62.460, 62.460, 160.010, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / n/a

The binding sites of Calcium atom in the The Bowman-Birk Type Inhibitor From Mung Bean in Ternary Complex with Porcine Trypsin (pdb code 3myw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Bowman-Birk Type Inhibitor From Mung Bean in Ternary Complex with Porcine Trypsin, PDB code: 3myw:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Bowman-Birk Type Inhibitor From Mung Bean in Ternary Complex with Porcine Trypsin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Bowman-Birk Type Inhibitor From Mung Bean in Ternary Complex with Porcine Trypsin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca299 b:17.8 occ:1.00 O A:VAL75 2.3 35.9 1.0 O A:ASN72 2.3 33.0 1.0 O A:HOH425 2.4 41.6 1.0 O A:HOH428 2.4 33.0 1.0 OE1 A:GLU70 2.7 24.5 1.0 OE2 A:GLU80 2.7 31.7 1.0 C A:VAL75 3.5 37.1 1.0 C A:ASN72 3.6 27.1 1.0 CD A:GLU80 3.7 34.1 1.0 CD A:GLU70 3.8 24.8 1.0 OE2 A:GLU77 3.8 51.8 1.0 CA A:LEU76 4.0 37.6 1.0 CA A:ILE73 4.1 25.2 1.0 CG A:GLU77 4.1 44.8 1.0 N A:GLU77 4.1 35.4 1.0 CG A:GLU80 4.2 33.1 1.0 OE2 A:GLU70 4.2 24.6 1.0 N A:LEU76 4.2 40.5 1.0 N A:ILE73 4.3 27.7 1.0 N A:VAL75 4.3 23.1 1.0 C A:ILE73 4.4 23.1 1.0 N A:ASN72 4.4 18.0 1.0 CD A:GLU77 4.4 50.5 1.0 CA A:ASN72 4.5 21.6 1.0 C A:LEU76 4.5 39.5 1.0 CA A:VAL75 4.6 28.9 1.0 CB A:GLU77 4.6 37.5 1.0 N A:HIS71 4.6 31.4 1.0 O A:ILE73 4.7 24.4 1.0 CD1 A:LEU76 4.7 44.0 1.0 CB A:ASN72 4.7 20.3 1.0 OE1 A:GLU80 4.7 39.6 1.0 N A:ASP74 4.8 21.9 1.0 CA A:GLU70 4.9 25.5 1.0 CG A:GLU70 5.0 27.4 1.0

Calcium binding site 2 out of 2 in the The Bowman-Birk Type Inhibitor From Mung Bean in Ternary Complex with Porcine Trypsin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Bowman-Birk Type Inhibitor From Mung Bean in Ternary Complex with Porcine Trypsin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca246 b:48.1 occ:1.00 O B:VAL75 2.3 35.8 1.0 O B:ASN72 2.3 32.7 1.0 O B:HOH508 2.4 40.8 1.0 O B:HOH510 2.4 33.6 1.0 OE1 B:GLU70 2.6 25.3 1.0 OE2 B:GLU80 2.7 31.5 1.0 C B:VAL75 3.5 36.9 1.0 C B:ASN72 3.6 26.6 1.0 CD B:GLU80 3.7 34.0 1.0 CD B:GLU70 3.7 25.1 1.0 OE2 B:GLU77 3.8 51.4 1.0 CA B:LEU76 4.1 37.5 1.0 CA B:ILE73 4.1 24.8 1.0 CG B:GLU77 4.1 44.5 1.0 N B:GLU77 4.2 35.9 1.0 OE2 B:GLU70 4.2 24.6 1.0 CG B:GLU80 4.2 33.1 1.0 N B:LEU76 4.2 40.2 1.0 N B:ILE73 4.3 27.3 1.0 N B:VAL75 4.3 22.4 1.0 C B:ILE73 4.4 23.1 1.0 N B:ASN72 4.4 15.7 1.0 CD B:GLU77 4.4 50.2 1.0 CA B:ASN72 4.5 21.1 1.0 C B:LEU76 4.6 39.5 1.0 CA B:VAL75 4.6 28.4 1.0 CB B:GLU77 4.6 37.3 1.0 O B:ILE73 4.6 24.1 1.0 N B:HIS71 4.6 28.0 1.0 CB B:ASN72 4.7 19.8 1.0 CD1 B:LEU76 4.7 43.7 1.0 OE1 B:GLU80 4.8 39.6 1.0 N B:ASP74 4.8 21.6 1.0 CA B:GLU70 4.9 24.4 1.0 CG B:GLU70 5.0 27.0 1.0

G.Lin, W.Bode, R.Huber, C.Chi, R.A.Engh. The 0.25-Nm X-Ray Structure of the Bowman-Birk-Type Inhibitor From Mung Bean in Ternary Complex with Porcine Trypsin. Eur.J.Biochem. V. 212 549 1993.
ISSN: ISSN 0014-2956
PubMed: 8444191