Calcium in PDB 1mtw: Factor Xa Specific Inhibitor in Complex with Bovine Trypsin

All present enzymatic activity of Factor Xa Specific Inhibitor in Complex with Bovine Trypsin:
3.4.21.4;

The structure of Factor Xa Specific Inhibitor in Complex with Bovine Trypsin, PDB code: 1mtw was solved by M.T.Stubbs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.900, 61.000, 64.300, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / n/a

The binding sites of Calcium atom in the Factor Xa Specific Inhibitor in Complex with Bovine Trypsin (pdb code 1mtw). 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 Factor Xa Specific Inhibitor in Complex with Bovine Trypsin, PDB code: 1mtw:

Calcium binding site 1 out of 1 in the Factor Xa Specific Inhibitor in Complex with Bovine Trypsin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Factor Xa Specific Inhibitor in Complex with Bovine Trypsin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca480 b:30.0 occ:1.00 O A:VAL75 2.2 23.1 1.0 O A:ASN72 2.2 9.3 1.0 O A:HOH711 2.3 13.3 1.0 OE1 A:GLU70 2.5 19.4 1.0 O A:HOH714 2.5 7.6 1.0 OE2 A:GLU80 2.5 14.2 1.0 C A:VAL75 3.3 18.7 1.0 C A:ASN72 3.4 6.2 1.0 CD A:GLU70 3.5 8.6 1.0 CD A:GLU80 3.6 8.1 1.0 OE2 A:GLU70 3.9 13.3 1.0 CG A:GLU80 4.0 13.3 1.0 N A:VAL75 4.1 8.3 1.0 CA A:VAL76 4.1 9.2 1.0 N A:VAL76 4.1 9.6 1.0 N A:GLU77 4.1 9.3 1.0 CA A:ILE73 4.2 10.0 1.0 N A:ILE73 4.2 10.1 1.0 CA A:VAL75 4.3 9.9 1.0 OE1 A:GLU77 4.3 14.2 1.0 N A:ASN72 4.3 7.7 1.0 CG A:GLU77 4.4 8.2 1.0 C A:ILE73 4.4 6.0 1.0 CA A:ASN72 4.4 9.5 1.0 C A:VAL76 4.6 17.2 1.0 N A:ASP71 4.7 7.5 1.0 N A:ASN74 4.7 7.1 1.0 OE1 A:GLU80 4.7 14.4 1.0 O A:HOH733 4.7 20.0 1.0 CB A:ASN72 4.7 9.2 1.0 O A:ILE73 4.8 9.3 1.0 O A:HOH706 4.8 15.6 1.0 CD A:GLU77 4.8 12.9 1.0 CB A:GLU77 4.8 11.3 1.0 CG A:GLU70 4.8 6.0 1.0 CB A:VAL75 5.0 12.0 1.0 CA A:GLU70 5.0 6.0 1.0

M.T.Stubbs, R.Huber, W.Bode. Crystal Structures of Factor Xa Specific Inhibitors in Complex with Trypsin: Structural Grounds For Inhibition of Factor Xa and Selectivity Against Thrombin. Febs Lett. V. 375 103 1995.
ISSN: ISSN 0014-5793
PubMed: 7498454
DOI: 10.1016/0014-5793(95)01190-P