Calcium in PDB 3rdz: Crystal Structure of Rbti-Trypsin Complex at 2.26 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Rbti-Trypsin Complex at 2.26 Angstrom Resolution:
3.4.21.4;

The structure of Crystal Structure of Rbti-Trypsin Complex at 2.26 Angstrom Resolution, PDB code: 3rdz was solved by L.F.Wang, M.Li, W.R.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.26
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.709, 50.236, 84.492, 90.00, 95.06, 90.00
R / Rfree (%)	18.2 / 22.7

The binding sites of Calcium atom in the Crystal Structure of Rbti-Trypsin Complex at 2.26 Angstrom Resolution (pdb code 3rdz). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Rbti-Trypsin Complex at 2.26 Angstrom Resolution, PDB code: 3rdz:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Rbti-Trypsin Complex at 2.26 Angstrom Resolution


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 Rbti-Trypsin Complex at 2.26 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:42.8 occ:1.00 OE1 A:GLU70 2.3 30.4 1.0 O A:ASN72 2.4 30.4 1.0 O A:HOH17 2.4 27.8 1.0 OE2 A:GLU80 2.4 30.0 1.0 O A:VAL75 2.4 26.9 1.0 O A:HOH9 2.5 26.8 1.0 CD A:GLU70 3.3 30.3 1.0 C A:VAL75 3.4 33.4 1.0 CD A:GLU80 3.4 27.0 1.0 C A:ASN72 3.5 27.0 1.0 CG A:GLU80 3.6 25.7 1.0 OE2 A:GLU70 3.6 24.1 1.0 CA A:VAL76 3.8 30.2 1.0 N A:GLU77 3.9 24.2 1.0 N A:VAL76 4.0 30.4 1.0 OE1 A:GLU77 4.1 31.0 1.0 N A:ASN72 4.2 28.8 1.0 O A:HOH264 4.2 27.6 1.0 N A:VAL75 4.3 29.7 1.0 CA A:ASN72 4.3 30.2 1.0 CA A:ILE73 4.3 30.3 1.0 N A:ILE73 4.3 25.4 1.0 C A:VAL76 4.3 38.1 1.0 N A:ASP71 4.4 26.0 1.0 CG A:GLU77 4.4 32.0 1.0 CA A:VAL75 4.4 30.7 1.0 OE1 A:GLU80 4.5 29.8 1.0 C A:ILE73 4.6 33.1 1.0 CB A:ASN72 4.6 27.4 1.0 CB A:GLU77 4.6 33.0 1.0 CG A:GLU70 4.6 23.8 1.0 CA A:GLU70 4.7 25.8 1.0 CD A:GLU77 4.7 40.1 1.0 O A:HOH275 4.8 33.6 1.0 N A:ASN74 4.9 29.1 1.0 CA A:GLU77 4.9 28.9 1.0 CB A:GLU70 4.9 20.9 1.0 C A:ASP71 5.0 27.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Rbti-Trypsin Complex at 2.26 Angstrom Resolution


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 Rbti-Trypsin Complex at 2.26 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1 b:42.7 occ:1.00 OE1 B:GLU70 2.3 25.6 1.0 O B:HOH336 2.3 22.2 1.0 O B:VAL75 2.4 30.7 1.0 OE2 B:GLU80 2.4 27.5 1.0 O B:ASN72 2.4 26.8 1.0 O B:HOH6 2.5 25.1 1.0 CD B:GLU70 3.2 29.2 1.0 C B:VAL75 3.3 36.4 1.0 CD B:GLU80 3.3 25.1 1.0 OE2 B:GLU70 3.5 23.4 1.0 C B:ASN72 3.5 24.2 1.0 CG B:GLU80 3.6 25.5 1.0 CA B:VAL76 3.8 25.7 1.0 N B:VAL76 3.9 26.9 1.0 N B:GLU77 3.9 25.1 1.0 N B:VAL75 4.2 27.9 1.0 O B:HOH271 4.3 26.8 1.0 CA B:ILE73 4.3 28.8 1.0 OE1 B:GLU77 4.3 29.9 1.0 N B:ASN72 4.3 26.9 1.0 N B:ILE73 4.3 20.3 1.0 C B:VAL76 4.3 38.3 1.0 CA B:VAL75 4.4 25.4 1.0 CA B:ASN72 4.4 26.8 1.0 N B:ASP71 4.5 23.1 1.0 OE1 B:GLU80 4.5 32.4 1.0 C B:ILE73 4.5 36.3 1.0 CG B:GLU70 4.6 23.6 1.0 CG B:GLU77 4.6 28.7 1.0 CB B:ASN72 4.7 25.4 1.0 CA B:GLU70 4.7 25.2 1.0 CB B:GLU77 4.8 32.5 1.0 N B:ASN74 4.8 31.9 1.0 CD B:GLU77 4.9 37.8 1.0 CB B:GLU70 4.9 21.2 1.0 O B:ILE73 5.0 23.1 1.0 CB B:VAL76 5.0 37.0 1.0 CA B:GLU77 5.0 31.9 1.0

L.F.Wang, F.Zhao, M.Li, H.Zhang, Y.Gao, P.Cao, X.Pan, Z.Wang, W.R.Chang. Conformational Changes of Rbti From Buckwheat Upon Binding to Trypsin: Implications For the Role of the P(8)' Residue in the Potato Inhibitor I Family Plos One V. 6 E2095 2011.
ISSN: ESSN 1932-6203
PubMed: 21698291
DOI: 10.1371/JOURNAL.PONE.0020950