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Calcium in PDB 3gy6: A Comparative Study on the Inhibition of Bovine Beta-Trypsin By the Bis-Benzamidines Diminazene and Pentamidine

Enzymatic activity of A Comparative Study on the Inhibition of Bovine Beta-Trypsin By the Bis-Benzamidines Diminazene and Pentamidine

All present enzymatic activity of A Comparative Study on the Inhibition of Bovine Beta-Trypsin By the Bis-Benzamidines Diminazene and Pentamidine:
3.4.21.4;

Protein crystallography data

The structure of A Comparative Study on the Inhibition of Bovine Beta-Trypsin By the Bis-Benzamidines Diminazene and Pentamidine, PDB code: 3gy6 was solved by C.S.Perilo, M.T.Pereira, M.M.Santoro, R.A.P.Nagem, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.47 / 1.70
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 53.664, 53.664, 104.159, 90.00, 90.00, 120.00
R / Rfree (%) 17.7 / 22.7

Calcium Binding Sites:

The binding sites of Calcium atom in the A Comparative Study on the Inhibition of Bovine Beta-Trypsin By the Bis-Benzamidines Diminazene and Pentamidine (pdb code 3gy6). 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 A Comparative Study on the Inhibition of Bovine Beta-Trypsin By the Bis-Benzamidines Diminazene and Pentamidine, PDB code: 3gy6:

Calcium binding site 1 out of 1 in 3gy6

Go back to Calcium Binding Sites List in 3gy6
Calcium binding site 1 out of 1 in the A Comparative Study on the Inhibition of Bovine Beta-Trypsin By the Bis-Benzamidines Diminazene and Pentamidine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of A Comparative Study on the Inhibition of Bovine Beta-Trypsin By the Bis-Benzamidines Diminazene and Pentamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca247

b:13.9
occ:1.00
 O A:VAL75 2.2 11.2 1.0
OE1 A:GLU70 2.2 12.7 1.0
O A:ASN72 2.3 12.8 1.0
OE2 A:GLU80 2.3 15.5 1.0
O A:HOH267 2.3 14.1 1.0
O A:HOH6 2.4 13.4 1.0
CD A:GLU80 3.3 15.2 1.0
CD A:GLU70 3.3 12.2 1.0
C A:VAL75 3.3 13.2 1.0
C A:ASN72 3.4 12.1 1.0
CG A:GLU80 3.6 13.9 1.0
OE2 A:GLU70 3.7 12.6 1.0
CA A:VAL76 4.0 14.3 1.0
N A:VAL76 4.1 13.9 1.0
N A:GLU77 4.1 14.9 1.0
CA A:ILE73 4.2 12.0 1.0
N A:VAL75 4.2 13.6 1.0
N A:ILE73 4.3 12.0 1.0
OE1 A:GLU77 4.3 16.4 1.0
CA A:VAL75 4.4 12.8 1.0
N A:ASN72 4.4 13.3 1.0
O A:HOH15 4.4 15.6 1.0
CA A:ASN72 4.4 13.3 1.0
OE1 A:GLU80 4.4 15.3 1.0
C A:ILE73 4.4 11.7 1.0
CG A:GLU77 4.5 14.1 1.0
N A:ASP71 4.5 14.3 1.0
C A:VAL76 4.6 15.1 1.0
CG A:GLU70 4.6 12.6 1.0
CA A:GLU70 4.6 14.0 1.0
CB A:GLU77 4.8 15.0 1.0
O A:ILE73 4.8 12.2 1.0
CB A:GLU70 4.8 13.2 1.0
CB A:ASN72 4.8 13.2 1.0
CD A:GLU77 4.8 16.9 1.0
N A:ASN74 4.8 12.1 1.0
C A:ASP71 4.9 13.8 1.0

Reference:

C.S.Perilo, M.T.Pereira, M.M.Santoro, R.A.Nagem. Structural Binding Evidence of the Trypanocidal Drugs Berenil and Pentacarinate Active Principles to A Serine Protease Model. Int.J.Biol.Macromol. V. 46 502 2010.
ISSN: ISSN 0141-8130
PubMed: 20356563
DOI: 10.1016/J.IJBIOMAC.2010.03.006
Page generated: Tue Jul 8 12:50:57 2025

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