Magnesium 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:

Calcium

(Ca)

1 atom

The binding sites of Magnesium atom in the Porcine Trypsin Complexed with 4-Amino Propanol (pdb code 1s83). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Porcine Trypsin Complexed with 4-Amino Propanol, PDB code: 1s83:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Porcine Trypsin Complexed with 4-Amino Propanol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Porcine Trypsin Complexed with 4-Amino Propanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2 b:10.5 occ:0.50 CA A:CA1 0.6 10.7 0.5 OE2 A:GLU80 1.7 13.5 1.0 O A:VAL75 2.0 12.1 1.0 H1 A:HOH498 2.1 7.2 0.5 O A:HOH308 2.1 11.0 0.8 O A:HOH498 2.2 7.2 0.5 H2 A:HOH308 2.3 11.0 0.8 OE1 A:GLU70 2.3 10.7 1.0 OE1 A:GLU77 2.5 23.1 0.3 O A:ASN72 2.5 10.8 1.0 H1 A:HOH308 2.8 11.0 0.8 H A:GLU77 2.8 21.1 0.3 H A:GLU77 2.8 17.9 0.7 HA A:LEU76 2.9 18.9 1.0 CD A:GLU80 2.9 13.8 1.0 H2 A:HOH498 3.0 7.2 0.5 C A:VAL75 3.1 12.6 1.0 HG2 A:GLU80 3.2 12.4 1.0 HG3 A:GLU77 3.3 23.5 0.3 CD A:GLU70 3.3 11.9 1.0 HG3 A:GLU77 3.5 17.0 0.7 CG A:GLU80 3.5 12.4 1.0 CD A:GLU77 3.5 23.1 0.3 H2 A:HOH341 3.5 15.6 0.8 HG3 A:GLU80 3.6 12.4 1.0 C A:ASN72 3.6 9.2 1.0 OE2 A:GLU70 3.7 12.5 1.0 H A:VAL75 3.7 11.2 1.0 N A:GLU77 3.7 21.1 0.3 N A:GLU77 3.7 17.9 0.7 CA A:LEU76 3.7 18.9 1.0 N A:LEU76 3.8 14.4 1.0 CG A:GLU77 3.8 23.5 0.3 H1 A:HOH341 3.8 15.6 0.8 HA A:ILE73 3.8 11.0 1.0 H A:HIS71 3.8 10.3 1.0 HB3 A:ASN72 3.9 10.1 1.0 HD11 A:LEU76 3.9 29.3 0.5 HB2 A:GLU77 3.9 23.3 0.3 HA A:GLU70 3.9 10.1 1.0 HD21 A:LEU76 3.9 19.2 0.5 OE1 A:GLU80 4.0 15.1 1.0 HB2 A:GLU77 4.0 18.2 0.7 H A:ASN72 4.0 10.1 1.0 O A:HOH341 4.2 15.6 0.8 C A:LEU76 4.2 19.7 1.0 CA A:VAL75 4.3 12.0 1.0 N A:VAL75 4.3 11.2 1.0 CB A:GLU77 4.3 23.3 0.3 CG A:GLU77 4.3 17.0 0.7 OE1 A:GLU77 4.4 15.9 0.7 N A:ASN72 4.5 10.1 1.0 CA A:ASN72 4.5 9.9 1.0 O A:HOH377 4.5 19.5 0.9 CB A:GLU77 4.5 18.2 0.7 N A:ILE73 4.6 10.5 1.0 CA A:ILE73 4.6 11.0 1.0 HD22 A:LEU76 4.6 19.2 0.5 OE2 A:GLU77 4.6 21.1 0.3 HB A:VAL75 4.6 12.7 1.0 CA A:GLU77 4.6 22.1 0.3 CB A:ASN72 4.7 10.1 1.0 CG A:GLU70 4.7 10.9 1.0 CA A:GLU77 4.7 19.0 0.7 H2 A:HOH377 4.7 19.5 0.9 HB3 A:GLU70 4.7 9.7 1.0 CD2 A:LEU76 4.8 19.2 0.5 H A:LEU76 4.8 14.4 1.0 HG2 A:GLU77 4.8 23.5 0.3 N A:HIS71 4.8 10.3 1.0 C A:ILE73 4.8 12.8 1.0 CA A:GLU70 4.9 10.1 1.0 CD A:GLU77 4.9 16.4 0.7 CD1 A:LEU76 4.9 29.3 0.5 H A:GLY78 4.9 22.9 1.0 CB A:GLU80 4.9 11.8 1.0 H2 A:HOH271 5.0 11.7 0.9 H1 A:HOH377 5.0 19.5 0.9

Magnesium binding site 2 out of 2 in the Porcine Trypsin Complexed with 4-Amino Propanol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Porcine Trypsin Complexed with 4-Amino Propanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg3 b:45.4 occ:0.99 O A:HOH437 2.1 31.6 0.4 O A:HOH439 2.3 30.7 0.9 H2 A:HOH439 2.3 30.7 0.9 O A:HOH438 2.4 37.8 1.0 O A:HOH440 2.4 33.9 0.8 H2 A:HOH437 2.5 31.6 0.4 O A:HOH442 2.7 40.6 0.5 H1 A:HOH437 2.7 31.6 0.4 H2 A:HOH442 2.8 40.6 0.5 H1 A:HOH440 2.8 33.9 0.8 O A:HOH441 2.8 37.6 0.8 H1 A:HOH438 2.9 37.8 1.0 H2 A:HOH440 2.9 33.9 0.8 H1 A:HOH441 3.1 37.6 0.8 H2 A:HOH438 3.1 37.8 1.0 O A:TYR151 3.1 16.3 0.5 H1 A:HOH439 3.2 30.7 0.9 O A:TYR151 3.6 18.3 0.5 H2 A:HOH441 3.6 37.6 0.8 HB3 A:TYR151 3.7 24.5 0.5 H2 A:HOH434 3.7 22.6 0.8 H1 A:HOH442 3.7 40.6 0.5 H1 A:HOH434 3.8 22.6 0.8 HB2 A:TYR151 3.8 22.7 0.5 OD2 A:ASP74 4.0 18.5 1.0 HB3 A:TYR151 4.1 22.7 0.5 HB2 A:TYR151 4.1 24.5 0.5 O A:HOH434 4.2 22.6 0.8 C A:TYR151 4.2 18.3 0.5 C A:TYR151 4.4 19.1 0.5 CB A:TYR151 4.4 24.5 0.5 CB A:TYR151 4.4 22.7 0.5 OD1 A:ASP74 4.6 18.4 1.0 CG A:ASP74 4.6 18.1 1.0 O A:HOH481 4.7 21.6 0.5 H A:TYR151 4.8 23.0 0.5 CA A:TYR151 4.9 21.6 0.5 HG A:SER153 4.9 17.0 1.0 O A:HOH343 4.9 14.1 0.6 CA A:TYR151 4.9 22.8 0.5 O A:PRO152 5.0 12.5 1.0 H A:TYR151 5.0 24.0 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