Calcium in PDB 1eb2: Trypsin Inhibitor Complex (Bpo)

All present enzymatic activity of Trypsin Inhibitor Complex (Bpo):
3.4.21.4;

The structure of Trypsin Inhibitor Complex (Bpo), PDB code: 1eb2 was solved by K.W.Wilkinson, S.C.Young, J.W.Liebeschuetz, R.L.Brady, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15 / 2.0
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.080, 63.825, 70.040, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 24.4

The binding sites of Calcium atom in the Trypsin Inhibitor Complex (Bpo) (pdb code 1eb2). 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 Inhibitor Complex (Bpo), PDB code: 1eb2:

Calcium binding site 1 out of 1 in the Trypsin Inhibitor Complex (Bpo)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Trypsin Inhibitor Complex (Bpo) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1247 b:21.6 occ:1.00 OE2 A:GLU80 2.3 20.3 1.0 O A:HOH2094 2.4 19.2 1.0 OE1 A:GLU70 2.4 16.5 1.0 O A:HOH2082 2.4 20.2 1.0 O A:VAL75 2.4 22.2 1.0 O A:ASN72 2.5 20.8 1.0 CD A:GLU80 3.3 20.6 1.0 CD A:GLU70 3.5 18.6 1.0 C A:VAL75 3.6 25.5 1.0 CG A:GLU80 3.6 17.9 1.0 C A:ASN72 3.7 19.2 1.0 OE2 A:GLU70 3.8 18.5 1.0 CA A:VAL76 4.1 25.5 1.0 N A:GLU77 4.1 24.9 1.0 N A:VAL75 4.2 24.0 1.0 OE1 A:GLU77 4.2 23.0 1.0 O A:HOH2096 4.3 20.2 1.0 N A:VAL76 4.3 24.9 1.0 CA A:ILE73 4.3 19.2 1.0 OE1 A:GLU80 4.4 18.9 1.0 N A:ASN72 4.4 20.5 1.0 N A:ILE73 4.5 18.5 1.0 CA A:VAL75 4.5 24.7 1.0 C A:VAL76 4.5 27.1 1.0 CA A:ASN72 4.6 21.1 1.0 C A:ILE73 4.6 20.9 1.0 CG A:GLU77 4.6 23.6 1.0 N A:ASP71 4.6 18.2 1.0 CG A:GLU70 4.8 15.7 1.0 CB A:GLU77 4.8 26.0 1.0 CA A:GLU70 4.8 16.8 1.0 CB A:ASN72 4.8 20.0 1.0 CB A:GLU70 4.9 16.4 1.0 CD A:GLU77 4.9 25.7 1.0 N A:ASN74 4.9 22.4 1.0 O A:HOH2039 4.9 44.1 1.0 O A:ILE73 4.9 19.3 1.0

J.W.Liebeschuetz, S.D.Jones, P.J.Morgan, C.W.Murray, A.D.Rimmer, J.M.E.Roscoe, B.Waszkowycz, P.M.Welsh, W.A.Wylie, S.C.Young, H.Martin, J.Mahler, R.L.Brady, K.W.Wilkinson. PRO_SELECT: Combining Structure-Based Drug Design and Array-Based Chemistry For Rapid Lead Discovery. 2. the Development of A Series of Highly Potent and Selective Factor Xa Inhibitors J.Med.Chem. V. 45 1221 2002.
ISSN: ISSN 0022-2623
PubMed: 11881991
DOI: 10.1021/JM010944E