Calcium in PDB 1s6h: Porcine Trypsin Complexed with Guanidine-3-Propanol Inhibitor

All present enzymatic activity of Porcine Trypsin Complexed with Guanidine-3-Propanol Inhibitor:
3.4.21.4;

The structure of Porcine Trypsin Complexed with Guanidine-3-Propanol Inhibitor, PDB code: 1s6h 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 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.228, 53.198, 46.515, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 17.9

The structure of Porcine Trypsin Complexed with Guanidine-3-Propanol Inhibitor also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Porcine Trypsin Complexed with Guanidine-3-Propanol Inhibitor (pdb code 1s6h). 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 Guanidine-3-Propanol Inhibitor, PDB code: 1s6h:

Calcium binding site 1 out of 1 in the Porcine Trypsin Complexed with Guanidine-3-Propanol Inhibitor


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 Guanidine-3-Propanol Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca4 b:11.1 occ:0.87 H1 A:HOH510 1.9 8.1 0.5 OE2 A:GLU80 2.1 15.4 1.0 O A:VAL75 2.2 12.1 1.0 H2 A:HOH510 2.2 8.1 0.5 OE1 A:GLU70 2.2 10.4 1.0 O A:HOH308 2.2 9.9 0.9 O A:HOH510 2.2 8.1 0.5 O A:ASN72 2.2 10.4 1.0 OE1 A:GLU77 2.4 16.5 0.5 H1 A:HOH308 2.5 9.9 0.9 H2 A:HOH308 3.1 9.9 0.9 H A:GLU77 3.2 20.7 0.5 H A:GLU77 3.2 19.8 0.5 HG3 A:GLU77 3.2 18.4 0.5 CD A:GLU80 3.3 13.3 1.0 CD A:GLU70 3.3 13.5 1.0 CD A:GLU77 3.3 13.0 0.5 C A:VAL75 3.3 12.2 1.0 HG2 A:GLU80 3.3 10.8 1.0 HA A:LEU76 3.3 20.9 1.0 C A:ASN72 3.4 8.7 1.0 H A:VAL75 3.6 11.8 1.0 HA A:ILE73 3.6 11.1 1.0 HG3 A:GLU77 3.6 16.8 0.5 HB3 A:ASN72 3.7 9.8 1.0 CG A:GLU80 3.7 10.8 1.0 OE2 A:GLU70 3.7 10.8 1.0 H A:HIS71 3.7 9.7 1.0 HG3 A:GLU80 3.7 10.8 1.0 CG A:GLU77 3.7 18.4 0.5 H A:ASN72 3.8 8.3 1.0 HA A:GLU70 3.8 9.4 1.0 HB2 A:GLU77 4.0 17.9 0.5 N A:GLU77 4.0 20.7 0.5 N A:GLU77 4.0 19.8 0.5 H2 A:HOH340 4.1 16.2 0.8 N A:LEU76 4.1 16.5 1.0 CA A:LEU76 4.1 20.9 1.0 HB2 A:GLU77 4.2 19.7 0.5 N A:VAL75 4.2 11.8 1.0 HD23 A:LEU76 4.2 25.4 1.0 N A:ASN72 4.2 8.3 1.0 OE2 A:GLU77 4.2 12.9 0.5 CA A:ASN72 4.3 8.2 1.0 N A:ILE73 4.3 9.8 1.0 OE1 A:GLU77 4.3 15.9 0.5 CA A:VAL75 4.3 11.9 1.0 CA A:ILE73 4.3 11.1 1.0 OE1 A:GLU80 4.4 14.7 1.0 H1 A:HOH340 4.4 16.2 0.8 O A:HOH340 4.4 16.2 0.8 CB A:ASN72 4.4 9.8 1.0 CB A:GLU77 4.5 19.7 0.5 CG A:GLU77 4.5 16.8 0.5 HB A:VAL75 4.5 12.3 1.0 HB3 A:GLU70 4.5 9.1 1.0 C A:ILE73 4.6 13.2 1.0 C A:LEU76 4.6 20.2 1.0 CG A:GLU70 4.6 9.1 1.0 O A:HOH375 4.6 19.9 0.8 CB A:GLU77 4.6 17.9 0.5 HG2 A:GLU77 4.6 18.4 0.5 N A:HIS71 4.7 9.7 1.0 CA A:GLU70 4.7 9.4 1.0 CB A:GLU70 4.9 9.1 1.0 H1 A:HOH375 4.9 19.9 0.8 CD A:GLU77 4.9 15.4 0.5 N A:ASP74 4.9 11.1 1.0 CA A:GLU77 4.9 20.6 0.5 O A:ILE73 5.0 13.2 1.0 H A:ASP74 5.0 11.1 1.0 CA A:GLU77 5.0 19.3 0.5

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