Calcium in PDB 4doq: Crystal Structure of the Complex of Porcine Pancreatic Trypsin with 1/2SLPI

All present enzymatic activity of Crystal Structure of the Complex of Porcine Pancreatic Trypsin with 1/2SLPI:
3.4.21.4;

The structure of Crystal Structure of the Complex of Porcine Pancreatic Trypsin with 1/2SLPI, PDB code: 4doq was solved by K.Fukushima, M.Takimoto-Kamimura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.06 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.535, 118.610, 93.393, 90.00, 90.74, 90.00
R / Rfree (%)	18.7 / 24.2

The binding sites of Calcium atom in the Crystal Structure of the Complex of Porcine Pancreatic Trypsin with 1/2SLPI (pdb code 4doq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of the Complex of Porcine Pancreatic Trypsin with 1/2SLPI, PDB code: 4doq:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of the Complex of Porcine Pancreatic Trypsin with 1/2SLPI


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Complex of Porcine Pancreatic Trypsin with 1/2SLPI within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:37.3 occ:1.00 OE1 A:GLU70 2.3 29.3 1.0 O A:ASN72 2.4 29.3 1.0 O A:HOH429 2.4 27.7 1.0 OE2 A:GLU80 2.5 39.3 1.0 O A:VAL75 2.5 40.9 1.0 OE1 A:GLU77 2.9 43.8 1.0 CD A:GLU80 3.4 42.4 1.0 CD A:GLU70 3.4 31.2 1.0 C A:ASN72 3.5 30.2 1.0 C A:VAL75 3.5 41.5 1.0 CD A:GLU77 3.7 47.1 1.0 CG A:GLU80 3.7 42.2 1.0 OE2 A:GLU70 3.8 31.3 1.0 CG A:GLU77 4.1 48.4 1.0 CA A:LEU76 4.1 45.4 1.0 N A:GLU77 4.1 47.0 1.0 N A:LEU76 4.2 44.0 1.0 N A:ASN72 4.3 30.2 1.0 CA A:ASN72 4.4 30.0 1.0 N A:VAL75 4.4 38.4 1.0 N A:ILE73 4.4 30.2 1.0 O A:HOH421 4.4 36.6 1.0 CA A:ILE73 4.4 30.7 1.0 OE1 A:GLU80 4.4 43.6 1.0 N A:HIS71 4.5 29.3 1.0 CA A:VAL75 4.6 39.0 1.0 C A:ILE73 4.6 32.1 1.0 C A:LEU76 4.6 46.1 1.0 CG A:GLU70 4.6 28.3 1.0 OE2 A:GLU77 4.6 46.9 1.0 CA A:GLU70 4.7 29.4 1.0 CB A:GLU77 4.7 47.9 1.0 CB A:ASN72 4.8 30.8 1.0 CB A:GLU70 4.8 29.2 1.0 O A:ILE73 4.9 31.1 1.0 N A:ASP74 5.0 33.8 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of the Complex of Porcine Pancreatic Trypsin with 1/2SLPI


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Complex of Porcine Pancreatic Trypsin with 1/2SLPI within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca303 b:37.3 occ:1.00 O C:HOH441 2.2 36.2 1.0 OE1 C:GLU70 2.3 38.1 1.0 OE2 C:GLU80 2.4 36.4 1.0 O C:VAL75 2.4 42.1 1.0 O C:ASN72 2.4 33.6 1.0 OE1 C:GLU77 2.7 44.3 1.0 CD C:GLU70 3.3 34.7 1.0 CD C:GLU80 3.3 38.9 1.0 CD C:GLU77 3.5 46.1 1.0 C C:ASN72 3.5 33.3 1.0 C C:VAL75 3.5 42.6 1.0 CG C:GLU80 3.7 37.5 1.0 OE2 C:GLU70 3.7 36.9 1.0 CG C:GLU77 3.8 46.7 1.0 N C:GLU77 4.0 45.1 1.0 CA C:LEU76 4.2 44.8 1.0 N C:LEU76 4.3 43.8 1.0 O C:HOH456 4.3 41.8 1.0 CA C:ILE73 4.3 34.2 1.0 N C:ILE73 4.4 34.1 1.0 N C:VAL75 4.4 40.7 1.0 OE1 C:GLU80 4.5 39.2 1.0 CB C:GLU77 4.5 46.0 1.0 CA C:ASN72 4.5 32.4 1.0 N C:ASN72 4.5 31.4 1.0 OE2 C:GLU77 4.5 42.9 1.0 C C:LEU76 4.5 45.1 1.0 CG C:GLU70 4.6 31.0 1.0 O C:HOH458 4.6 34.5 1.0 CA C:VAL75 4.6 41.7 1.0 C C:ILE73 4.6 35.8 1.0 N C:HIS71 4.6 29.8 1.0 CA C:GLU70 4.8 29.3 1.0 CB C:ASN72 4.8 32.7 1.0 CB C:GLU70 4.8 29.7 1.0 CA C:GLU77 4.9 45.8 1.0 N C:ASP74 4.9 36.7 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of the Complex of Porcine Pancreatic Trypsin with 1/2SLPI


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the Complex of Porcine Pancreatic Trypsin with 1/2SLPI within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca302 b:27.9 occ:1.00 OE1 E:GLU69 2.3 26.6 1.0 O E:VAL74 2.3 24.9 1.0 OE1 E:GLU76 2.3 32.4 1.0 OE2 E:GLU79 2.4 27.4 1.0 O E:ASN71 2.4 25.2 1.0 O E:HOH449 2.5 32.1 1.0 CD E:GLU76 3.3 34.5 1.0 CD E:GLU69 3.3 28.5 1.0 CD E:GLU79 3.4 29.5 1.0 C E:VAL74 3.4 26.7 1.0 C E:ASN71 3.5 24.8 1.0 OE2 E:GLU69 3.7 26.9 1.0 CG E:GLU79 3.8 29.5 1.0 CG E:GLU76 3.8 33.4 1.0 N E:GLU76 4.1 31.9 1.0 N E:LEU75 4.2 28.0 1.0 CA E:LEU75 4.2 30.5 1.0 N E:ASN71 4.3 24.9 1.0 OE2 E:GLU76 4.3 36.0 1.0 N E:VAL74 4.3 24.9 1.0 CA E:ASN71 4.4 24.4 1.0 CA E:ILE72 4.4 24.9 1.0 N E:ILE72 4.4 24.9 1.0 CB E:GLU76 4.4 33.4 1.0 CA E:VAL74 4.5 25.9 1.0 OE1 E:GLU79 4.5 27.9 1.0 CB E:ASN71 4.5 24.9 1.0 CG E:GLU69 4.5 26.6 1.0 C E:LEU75 4.6 31.4 1.0 C E:ILE72 4.6 24.7 1.0 CA E:GLU69 4.7 27.9 1.0 O E:HOH448 4.7 29.8 1.0 CB E:GLU69 4.7 28.0 1.0 N E:HIS70 4.7 27.1 1.0 CA E:GLU76 4.9 33.0 1.0 N E:ASP73 4.9 25.2 1.0

K.Fukushima, T.Kamimura, M.Takimoto-Kamimura. Structure Basis 1/2SLPI and Porcine Pancreas Trypsin Interaction J.Synchrotron Radiat. V. 20 943 2013.
ISSN: ISSN 0909-0495
PubMed: 24121345
DOI: 10.1107/S090904951302133X