Calcium in PDB 1j16: Benzamidine in Complex with Rat Trypsin Mutant X99/175/190RT

All present enzymatic activity of Benzamidine in Complex with Rat Trypsin Mutant X99/175/190RT:
3.4.21.4;

The structure of Benzamidine in Complex with Rat Trypsin Mutant X99/175/190RT, PDB code: 1j16 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)	10.00 / 1.60
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	123.310, 123.310, 123.310, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / n/a

The binding sites of Calcium atom in the Benzamidine in Complex with Rat Trypsin Mutant X99/175/190RT (pdb code 1j16). 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 Benzamidine in Complex with Rat Trypsin Mutant X99/175/190RT, PDB code: 1j16:

Calcium binding site 1 out of 1 in the Benzamidine in Complex with Rat Trypsin Mutant X99/175/190RT


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Benzamidine in Complex with Rat Trypsin Mutant X99/175/190RT within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca480 b:16.3 occ:1.00 O A:VAL75 2.2 10.9 1.0 O A:HOH261 2.2 12.3 1.0 O A:ASN72 2.3 11.3 1.0 O A:HOH1001 2.4 9.8 1.0 OE2 A:GLU80 2.4 13.9 1.0 OE1 A:GLU70 2.4 9.5 1.0 C A:VAL75 3.4 12.4 1.0 CD A:GLU80 3.4 14.2 1.0 CD A:GLU70 3.4 11.7 1.0 C A:ASN72 3.5 10.6 1.0 CG A:GLU80 3.7 13.1 1.0 OE2 A:GLU70 3.8 12.2 1.0 N A:GLU77 4.0 14.1 1.0 CA A:LEU76 4.0 14.7 1.0 N A:LEU76 4.1 13.1 1.0 N A:VAL75 4.2 11.8 1.0 OE1 A:GLU77 4.3 14.4 1.0 N A:ASN72 4.3 9.1 1.0 CA A:ILE73 4.3 10.9 1.0 O A:HOH1003 4.3 13.0 1.0 N A:ILE73 4.3 10.6 1.0 CA A:ASN72 4.4 10.1 1.0 CA A:VAL75 4.4 12.1 1.0 C A:ILE73 4.5 11.3 1.0 CG A:GLU77 4.5 15.2 1.0 OE1 A:GLU80 4.5 14.0 1.0 C A:LEU76 4.5 14.9 1.0 N A:HIS71 4.6 10.4 1.0 CB A:ASN72 4.6 9.4 1.0 CB A:GLU77 4.7 14.1 1.0 CG A:GLU70 4.7 10.0 1.0 O A:HOH298 4.8 26.1 1.0 N A:ASN74 4.8 11.2 1.0 CD A:GLU77 4.8 16.2 1.0 O A:ILE73 4.8 12.6 1.0 CA A:GLU70 4.8 9.3 1.0 CB A:GLU70 5.0 9.5 1.0

S.Reyda, C.Sohn, G.Klebe, K.Rall, D.Ullmann, H.D.Jakubke, M.T.Stubbs. Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-Induced Structural Plasticity J.Mol.Biol. V. 325 963 2003.
ISSN: ISSN 0022-2836
PubMed: 12527302
DOI: 10.1016/S0022-2836(02)01337-2