Calcium in PDB 1amh: Uncomplexed Rat Trypsin Mutant with Asp 189 Replaced with Ser (D189S)

All present enzymatic activity of Uncomplexed Rat Trypsin Mutant with Asp 189 Replaced with Ser (D189S):
3.4.21.4;

The structure of Uncomplexed Rat Trypsin Mutant with Asp 189 Replaced with Ser (D189S), PDB code: 1amh was solved by E.Szabo, Z.S.Bocskei, G.Naray-Szabo, L.Graf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.920, 49.790, 89.880, 90.00, 97.34, 90.00
R / Rfree (%)	18.2 / 24.2

The binding sites of Calcium atom in the Uncomplexed Rat Trypsin Mutant with Asp 189 Replaced with Ser (D189S) (pdb code 1amh). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Uncomplexed Rat Trypsin Mutant with Asp 189 Replaced with Ser (D189S), PDB code: 1amh:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Uncomplexed Rat Trypsin Mutant with Asp 189 Replaced with Ser (D189S)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Uncomplexed Rat Trypsin Mutant with Asp 189 Replaced with Ser (D189S) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca246 b:36.4 occ:1.00 OE2 A:GLU80 2.5 30.6 1.0 O A:VAL75 2.5 32.1 1.0 OE2 A:GLU77 2.5 42.4 1.0 OE2 A:GLU70 2.5 31.4 1.0 O A:ASN72 2.6 27.3 1.0 CG A:GLU70 2.6 26.5 1.0 CD A:GLU70 2.9 28.8 1.0 C A:ASN72 3.5 26.2 1.0 CD A:GLU80 3.6 27.4 1.0 C A:VAL75 3.6 29.9 1.0 CD A:GLU77 3.7 44.0 1.0 CA A:ILE73 4.0 27.1 1.0 CG A:GLU80 4.0 27.5 1.0 CB A:GLU70 4.1 25.3 1.0 N A:ILE73 4.1 26.8 1.0 OE1 A:GLU70 4.2 28.4 1.0 O A:HOH290 4.2 18.7 1.0 C A:ILE73 4.2 27.8 1.0 N A:VAL75 4.2 31.7 1.0 N A:LEU76 4.4 29.4 1.0 CA A:LEU76 4.4 30.9 1.0 N A:GLU77 4.5 32.8 1.0 CG A:GLU77 4.5 41.3 1.0 O A:ILE73 4.5 26.9 1.0 N A:ASN72 4.5 24.4 1.0 CA A:VAL75 4.6 29.4 1.0 CA A:GLU70 4.6 23.2 1.0 CA A:ASN72 4.6 26.2 1.0 OE1 A:GLU77 4.6 47.1 1.0 OE1 A:GLU80 4.6 28.6 1.0 N A:ASN74 4.7 29.6 1.0 N A:HIS71 4.7 24.9 1.0 C A:LEU76 5.0 31.4 1.0 CB A:ASN72 5.0 26.3 1.0

Calcium binding site 2 out of 2 in the Uncomplexed Rat Trypsin Mutant with Asp 189 Replaced with Ser (D189S)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Uncomplexed Rat Trypsin Mutant with Asp 189 Replaced with Ser (D189S) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca246 b:30.7 occ:1.00 O B:VAL75 2.5 23.0 1.0 O B:ASN72 2.5 26.5 1.0 OE2 B:GLU80 2.5 27.2 1.0 OE2 B:GLU70 2.5 29.3 1.0 OE1 B:GLU77 2.5 43.7 1.0 CG B:GLU70 2.8 20.7 1.0 CD B:GLU70 3.0 24.7 1.0 C B:ASN72 3.4 24.2 1.0 C B:VAL75 3.5 23.4 1.0 CD B:GLU80 3.6 21.7 1.0 CD B:GLU77 3.7 44.5 1.0 CA B:ILE73 4.1 21.4 1.0 N B:ILE73 4.1 23.2 1.0 CG B:GLU80 4.1 20.6 1.0 N B:VAL75 4.1 26.6 1.0 O B:HOH286 4.2 22.8 1.0 CB B:GLU70 4.2 18.8 1.0 C B:ILE73 4.2 22.7 1.0 OE1 B:GLU70 4.3 27.2 1.0 O B:HOH270 4.3 49.5 1.0 N B:LEU76 4.3 24.2 1.0 CA B:LEU76 4.3 27.5 1.0 N B:ASN72 4.3 18.7 1.0 CA B:ASN72 4.4 21.9 1.0 N B:GLU77 4.4 30.3 1.0 O B:ILE73 4.4 24.5 1.0 CA B:VAL75 4.5 23.7 1.0 CG B:GLU77 4.5 41.0 1.0 O B:HOH257 4.6 6.3 1.0 N B:ASN74 4.6 22.7 1.0 OE2 B:GLU77 4.6 45.7 1.0 N B:HIS71 4.7 20.6 1.0 CA B:GLU70 4.7 21.3 1.0 OE1 B:GLU80 4.7 28.6 1.0 CB B:ASN72 4.8 22.6 1.0 C B:LEU76 4.8 28.9 1.0 CB B:GLU77 4.9 38.6 1.0

E.Szabo, Z.Bocskei, G.Naray-Szabo, L.Graf. The Three-Dimensional Structure of ASP189SER Trypsin Provides Evidence For An Inherent Structural Plasticity of the Protease. Eur.J.Biochem. V. 263 20 1999.
ISSN: ISSN 0014-2956
PubMed: 10429182
DOI: 10.1046/J.1432-1327.1999.00452.X