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Calcium in PDB 1rxp: Structure of Trypsin (Orthorhombic) with 1-(4-Tert- Butylcarbamoyl- Piperazine-1-Carbonyl)-3-(3-Guanidino- Propyl)-4-Oxo-Azetidine-2-Carboxylic Acid

Enzymatic activity of Structure of Trypsin (Orthorhombic) with 1-(4-Tert- Butylcarbamoyl- Piperazine-1-Carbonyl)-3-(3-Guanidino- Propyl)-4-Oxo-Azetidine-2-Carboxylic Acid

All present enzymatic activity of Structure of Trypsin (Orthorhombic) with 1-(4-Tert- Butylcarbamoyl- Piperazine-1-Carbonyl)-3-(3-Guanidino- Propyl)-4-Oxo-Azetidine-2-Carboxylic Acid:
3.4.21.4;

Protein crystallography data

The structure of Structure of Trypsin (Orthorhombic) with 1-(4-Tert- Butylcarbamoyl- Piperazine-1-Carbonyl)-3-(3-Guanidino- Propyl)-4-Oxo-Azetidine-2-Carboxylic Acid, PDB code: 1rxp was solved by G.S.Bisacchi, B.Jacobson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.290, 58.250, 66.680, 90.00, 90.00, 90.00
R / Rfree (%) 19.5 / 22.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of Trypsin (Orthorhombic) with 1-(4-Tert- Butylcarbamoyl- Piperazine-1-Carbonyl)-3-(3-Guanidino- Propyl)-4-Oxo-Azetidine-2-Carboxylic Acid (pdb code 1rxp). 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 Structure of Trypsin (Orthorhombic) with 1-(4-Tert- Butylcarbamoyl- Piperazine-1-Carbonyl)-3-(3-Guanidino- Propyl)-4-Oxo-Azetidine-2-Carboxylic Acid, PDB code: 1rxp:

Calcium binding site 1 out of 1 in 1rxp

Go back to Calcium Binding Sites List in 1rxp
Calcium binding site 1 out of 1 in the Structure of Trypsin (Orthorhombic) with 1-(4-Tert- Butylcarbamoyl- Piperazine-1-Carbonyl)-3-(3-Guanidino- Propyl)-4-Oxo-Azetidine-2-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Trypsin (Orthorhombic) with 1-(4-Tert- Butylcarbamoyl- Piperazine-1-Carbonyl)-3-(3-Guanidino- Propyl)-4-Oxo-Azetidine-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1

b:9.7
occ:1.00
 O A:VAL75 2.3 8.2 1.0
OE1 A:GLU70 2.3 6.7 1.0
OE2 A:GLU80 2.4 8.2 1.0
O A:ASN72 2.4 7.3 1.0
O A:HOH1020 2.5 10.0 1.0
O A:HOH1018 2.5 7.2 1.0
C A:VAL75 3.4 8.4 1.0
CD A:GLU70 3.4 6.9 1.0
CD A:GLU80 3.4 8.6 1.0
C A:ASN72 3.5 7.4 1.0
CG A:GLU80 3.8 8.7 1.0
OE2 A:GLU70 3.8 6.6 1.0
CA A:VAL76 4.0 9.0 1.0
N A:GLU77 4.0 9.7 1.0
N A:VAL76 4.1 8.7 1.0
N A:VAL75 4.2 8.1 1.0
CA A:ILE73 4.2 7.6 1.0
OE1 A:GLU77 4.3 11.2 1.0
N A:ILE73 4.3 7.5 1.0
CG A:GLU77 4.3 10.9 1.0
N A:ASN72 4.4 7.3 1.0
CA A:VAL75 4.4 8.2 1.0
O A:HOH1014 4.4 7.5 1.0
C A:ILE73 4.5 7.8 1.0
N A:ASP71 4.5 7.3 1.0
CA A:ASN72 4.5 7.4 1.0
C A:VAL76 4.5 9.4 1.0
OE1 A:GLU80 4.6 8.2 1.0
CG A:GLU70 4.7 6.9 1.0
CD A:GLU77 4.7 11.3 1.0
CA A:GLU70 4.8 7.1 1.0
O A:ILE73 4.8 7.8 1.0
CB A:GLU77 4.8 10.4 1.0
CB A:ASN72 4.8 7.5 1.0
N A:ASN74 4.8 7.8 1.0
CB A:GLU70 4.9 7.1 1.0
C A:ASP71 4.9 7.3 1.0

Reference:

J.C.Sutton, S.A.Bolton, M.E.Davis, K.S.Hartl, B.Jacobson, A.Mathur, M.L.Ogletree, W.A.Slusarchyk, R.Zahler, S.M.Seiler, G.S.Bisacchi. Solid-Phase Synthesis and Sar of 4-Carboxy-2-Azetidinone Mechanism-Based Tryptase Inhibitors Bioorg.Med.Chem.Lett. V. 14 2233 2004.
ISSN: ISSN 0960-894X
PubMed: 15081015
DOI: 10.1016/J.BMCL.2004.02.012
Page generated: Thu Jul 11 22:18:59 2024

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