Calcium in PDB 1s83: Porcine Trypsin Complexed with 4-Amino Propanol

All present enzymatic activity of Porcine Trypsin Complexed with 4-Amino Propanol:
3.4.21.4;

The structure of Porcine Trypsin Complexed with 4-Amino Propanol, PDB code: 1s83 was solved by T.R.Transue, J.M.Krahn, S.A.Gabel, E.F.Derose, R.E.London, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 1.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.583, 53.331, 46.562, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 17.8

The structure of Porcine Trypsin Complexed with 4-Amino Propanol also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium atom in the Porcine Trypsin Complexed with 4-Amino Propanol (pdb code 1s83). 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 Porcine Trypsin Complexed with 4-Amino Propanol, PDB code: 1s83:

Calcium binding site 1 out of 1 in the Porcine Trypsin Complexed with 4-Amino Propanol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Porcine Trypsin Complexed with 4-Amino Propanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:10.7 occ:0.50 MG A:MG2 0.6 10.5 0.5 O A:ASN72 2.0 10.8 1.0 OE1 A:GLU70 2.0 10.7 1.0 O A:HOH308 2.1 11.0 0.8 O A:HOH498 2.2 7.2 0.5 O A:VAL75 2.2 12.1 1.0 H1 A:HOH498 2.3 7.2 0.5 OE2 A:GLU80 2.3 13.5 1.0 OE1 A:GLU77 2.5 23.1 0.3 H2 A:HOH308 2.5 11.0 0.8 H1 A:HOH308 2.7 11.0 0.8 H2 A:HOH498 3.0 7.2 0.5 C A:ASN72 3.1 9.2 1.0 CD A:GLU70 3.1 11.9 1.0 C A:VAL75 3.3 12.6 1.0 HA A:ILE73 3.3 11.0 1.0 H A:GLU77 3.4 21.1 0.3 H A:GLU77 3.4 17.9 0.7 H A:VAL75 3.4 11.2 1.0 HA A:LEU76 3.4 18.9 1.0 CD A:GLU80 3.4 13.8 1.0 HG2 A:GLU80 3.4 12.4 1.0 HG3 A:GLU77 3.5 23.5 0.3 OE2 A:GLU70 3.5 12.5 1.0 CD A:GLU77 3.5 23.1 0.3 H A:HIS71 3.6 10.3 1.0 HB3 A:ASN72 3.6 10.1 1.0 HG3 A:GLU77 3.7 17.0 0.7 H A:ASN72 3.7 10.1 1.0 CG A:GLU80 3.8 12.4 1.0 HA A:GLU70 3.8 10.1 1.0 HG3 A:GLU80 3.8 12.4 1.0 H2 A:HOH341 3.9 15.6 0.8 H1 A:HOH341 4.0 15.6 0.8 N A:ILE73 4.0 10.5 1.0 CA A:ASN72 4.0 9.9 1.0 CG A:GLU77 4.0 23.5 0.3 CA A:ILE73 4.0 11.0 1.0 N A:ASN72 4.0 10.1 1.0 N A:VAL75 4.1 11.2 1.0 N A:LEU76 4.1 14.4 1.0 CA A:LEU76 4.2 18.9 1.0 N A:GLU77 4.2 21.1 0.3 N A:GLU77 4.2 17.9 0.7 HB2 A:GLU77 4.3 23.3 0.3 CA A:VAL75 4.3 12.0 1.0 CB A:ASN72 4.3 10.1 1.0 HB2 A:GLU77 4.3 18.2 0.7 HB3 A:GLU70 4.3 9.7 1.0 HD11 A:LEU76 4.3 29.3 0.5 OE1 A:GLU77 4.3 15.9 0.7 C A:ILE73 4.4 12.8 1.0 CG A:GLU70 4.4 10.9 1.0 O A:HOH341 4.4 15.6 0.8 HD21 A:LEU76 4.4 19.2 0.5 O A:HOH377 4.5 19.5 0.9 OE1 A:GLU80 4.5 15.1 1.0 N A:HIS71 4.5 10.3 1.0 OE2 A:GLU77 4.5 21.1 0.3 CG A:GLU77 4.6 17.0 0.7 HB A:VAL75 4.6 12.7 1.0 CB A:GLU77 4.6 23.3 0.3 CA A:GLU70 4.7 10.1 1.0 H A:ASP74 4.7 12.5 1.0 N A:ASP74 4.7 12.5 1.0 CB A:GLU70 4.7 9.7 1.0 H2 A:HOH271 4.7 11.7 0.9 C A:LEU76 4.8 19.7 1.0 O A:ILE73 4.8 12.2 1.0 H2 A:HOH377 4.8 19.5 0.9 CB A:GLU77 4.9 18.2 0.7 C A:HIS71 4.9 9.1 1.0 HG2 A:GLU70 4.9 10.9 1.0 H1 A:HOH377 4.9 19.5 0.9 H A:ILE73 4.9 10.5 1.0 CD A:GLU77 4.9 16.4 0.7 HG2 A:GLU77 4.9 23.5 0.3 HD22 A:LEU76 5.0 19.2 0.5 HA A:ASN72 5.0 9.9 1.0

T.R.Transue, J.M.Krahn, S.A.Gabel, E.F.Derose, R.E.London. X-Ray and uc(Nmr) Characterization of Covalent Complexes of Trypsin, Borate, and Alcohols. Biochemistry V. 43 2829 2004.
ISSN: ISSN 0006-2960
PubMed: 15005618
DOI: 10.1021/BI035782Y