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Calcium in PDB 4abj: Co-Complex Structure of Bovine Trypsin with A Modified Bowman-Birk Inhibitor (Ica)Sfti-1(1,14), That Was 1,5- Disubstituted with 1,2,3-Trizol to Mimic A Cis Amide Bond

Enzymatic activity of Co-Complex Structure of Bovine Trypsin with A Modified Bowman-Birk Inhibitor (Ica)Sfti-1(1,14), That Was 1,5- Disubstituted with 1,2,3-Trizol to Mimic A Cis Amide Bond

All present enzymatic activity of Co-Complex Structure of Bovine Trypsin with A Modified Bowman-Birk Inhibitor (Ica)Sfti-1(1,14), That Was 1,5- Disubstituted with 1,2,3-Trizol to Mimic A Cis Amide Bond:
3.4.21.4;

Protein crystallography data

The structure of Co-Complex Structure of Bovine Trypsin with A Modified Bowman-Birk Inhibitor (Ica)Sfti-1(1,14), That Was 1,5- Disubstituted with 1,2,3-Trizol to Mimic A Cis Amide Bond, PDB code: 4abj was solved by S.Schmelz, M.Empting, M.Tischler, D.Nasu, D.Heinz, H.Kolmar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.8 / 1.45
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.800, 63.400, 69.300, 90.00, 90.00, 90.00
R / Rfree (%) 19.031 / 20.352

Calcium Binding Sites:

The binding sites of Calcium atom in the Co-Complex Structure of Bovine Trypsin with A Modified Bowman-Birk Inhibitor (Ica)Sfti-1(1,14), That Was 1,5- Disubstituted with 1,2,3-Trizol to Mimic A Cis Amide Bond (pdb code 4abj). 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 Co-Complex Structure of Bovine Trypsin with A Modified Bowman-Birk Inhibitor (Ica)Sfti-1(1,14), That Was 1,5- Disubstituted with 1,2,3-Trizol to Mimic A Cis Amide Bond, PDB code: 4abj:

Calcium binding site 1 out of 1 in 4abj

Go back to Calcium Binding Sites List in 4abj
Calcium binding site 1 out of 1 in the Co-Complex Structure of Bovine Trypsin with A Modified Bowman-Birk Inhibitor (Ica)Sfti-1(1,14), That Was 1,5- Disubstituted with 1,2,3-Trizol to Mimic A Cis Amide Bond


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Co-Complex Structure of Bovine Trypsin with A Modified Bowman-Birk Inhibitor (Ica)Sfti-1(1,14), That Was 1,5- Disubstituted with 1,2,3-Trizol to Mimic A Cis Amide Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1247

b:16.5
occ:1.00
 O A:ASN77 2.3 17.0 1.0
O A:VAL80 2.3 17.9 1.0
OE1 A:GLU75 2.3 14.8 1.0
OE2 A:GLU85 2.3 17.3 1.0
O A:HOH2113 2.4 15.9 1.0
O A:HOH2114 2.4 18.2 1.0
CD A:GLU85 3.3 18.4 1.0
CD A:GLU75 3.4 15.1 1.0
C A:VAL80 3.4 18.4 1.0
C A:ASN77 3.4 17.1 1.0
CG A:GLU85 3.7 17.9 1.0
OE2 A:GLU75 3.8 15.1 1.0
N A:GLU82 4.1 18.2 1.0
CA A:VAL81 4.2 18.9 1.0
N A:VAL81 4.2 18.5 1.0
CA A:ILE78 4.2 17.7 1.0
N A:VAL80 4.3 18.8 1.0
N A:ILE78 4.3 17.5 1.0
OE1 A:GLU82 4.4 18.5 1.0
CA A:ASN77 4.4 17.1 1.0
N A:ASN77 4.4 16.2 1.0
CG A:GLU82 4.4 19.3 1.0
CA A:VAL80 4.4 19.1 1.0
OE1 A:GLU85 4.5 18.2 1.0
O A:HOH2112 4.5 18.2 1.0
C A:ILE78 4.5 18.2 1.0
N A:ASP76 4.6 15.6 1.0
C A:VAL81 4.7 19.3 1.0
CG A:GLU75 4.7 14.6 1.0
CB A:GLU82 4.7 19.0 1.0
CB A:ASN77 4.8 18.2 1.0
CA A:GLU75 4.8 14.8 1.0
N A:ASN79 4.8 19.0 1.0
O A:HOH2058 4.8 22.9 1.0
CD A:GLU82 4.9 19.9 1.0
O A:ILE78 4.9 18.9 1.0
CB A:GLU75 4.9 14.5 1.0

Reference:

M.Tischler, D.Nasu, M.Empting, S.Schmelz, D.Heinz, P.Rottmann, H.Kolmar, G.Buntkowsky, D.Tietze, O.Avrutina. Braces For the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations Angew.Chem.Int.Ed.Engl. V. 51 3708 2012.
ISSN: ISSN 1433-7851
PubMed: 22374650
DOI: 10.1002/ANIE.201108983
Page generated: Sat Jul 13 22:01:04 2024

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