Calcium in PDB 3gy5: A Comparative Study on the Inhibition of Bovine Beta-Trypsin By Bis- Benzamidines Diminazene and Pentamidine By X-Ray Crystallography and Itc

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

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

Protein crystallography data

The structure of A Comparative Study on the Inhibition of Bovine Beta-Trypsin By Bis- Benzamidines Diminazene and Pentamidine By X-Ray Crystallography and Itc, PDB code: 3gy5 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)*	42.99 / 1.57
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	53.246, 56.976, 65.523, 90.00, 90.00, 90.00
*R / R_free (%)*	16.3 / 19.7

Calcium Binding Sites:

The binding sites of Calcium atom in the A Comparative Study on the Inhibition of Bovine Beta-Trypsin By Bis- Benzamidines Diminazene and Pentamidine By X-Ray Crystallography and Itc (pdb code 3gy5). 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 Bis- Benzamidines Diminazene and Pentamidine By X-Ray Crystallography and Itc, PDB code: 3gy5:

Calcium binding site 1 out of 1 in 3gy5

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Calcium Binding Sites List in 3gy5

Calcium binding site 1 out of 1 in the A Comparative Study on the Inhibition of Bovine Beta-Trypsin By Bis- Benzamidines Diminazene and Pentamidine By X-Ray Crystallography and Itc

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 Bis- Benzamidines Diminazene and Pentamidine By X-Ray Crystallography and Itc within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca1 b:6.0 occ:1.00	OE1	A:GLU70	2.0	13.0	1.0
	O	A:VAL75	2.2	6.5	1.0
	OE2	A:GLU80	2.3	5.2	1.0
	O	A:ASN72	2.3	6.8	1.0
	O	A:HOH304	2.3	7.2	1.0
	O	A:HOH15	2.4	7.8	1.0
	CD	A:GLU70	3.1	13.4	1.0
	CD	A:GLU80	3.3	7.2	1.0
	C	A:VAL75	3.3	7.5	1.0
	C	A:ASN72	3.4	6.0	1.0
	CG	A:GLU80	3.7	7.8	1.0
	OE2	A:GLU70	3.8	8.1	1.0
	CA	A:VAL76	4.1	7.8	1.0
	N	A:GLU77	4.1	8.0	1.0
	N	A:VAL76	4.1	7.2	1.0
	CA	A:ILE73	4.2	6.2	1.0
	N	A:VAL75	4.2	6.8	1.0
	CG	A:GLU70	4.2	16.0	1.0
	OE1	A:GLU77	4.2	8.4	1.0
	N	A:ILE73	4.2	6.5	1.0
	N	A:ASN72	4.3	6.4	1.0
	CG	A:GLU77	4.3	8.7	1.0
	CA	A:ASN72	4.4	6.3	1.0
	CA	A:VAL75	4.4	6.9	1.0
	O	A:HOH261	4.4	7.8	1.0
	C	A:ILE73	4.4	6.0	1.0
	OE1	A:GLU80	4.4	7.6	1.0
	N	A:ASP71	4.5	8.3	1.0
	C	A:VAL76	4.5	7.9	1.0
	CB	A:GLU70	4.6	15.0	1.0
	CA	A:GLU70	4.6	12.6	1.0
	O1	A:EDO247	4.7	11.3	1.0
	CB	A:GLU77	4.7	7.9	1.0
	CD	A:GLU77	4.7	8.9	1.0
	CB	A:ASN72	4.7	5.8	1.0
	N	A:ASN74	4.8	6.3	1.0
	O	A:ILE73	4.8	6.2	1.0
	C	A:ASP71	4.9	7.0	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 12:50:32 2025

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