Calcium in PDB 3ru4: Crystal Structure of the Bowman-Birk Serine Protease Inhibitor Btci in Complex with Trypsin and Chymotrypsin

Enzymatic activity of Crystal Structure of the Bowman-Birk Serine Protease Inhibitor Btci in Complex with Trypsin and Chymotrypsin

All present enzymatic activity of Crystal Structure of the Bowman-Birk Serine Protease Inhibitor Btci in Complex with Trypsin and Chymotrypsin:
3.4.21.1; 3.4.21.4;

Protein crystallography data

The structure of Crystal Structure of the Bowman-Birk Serine Protease Inhibitor Btci in Complex with Trypsin and Chymotrypsin, PDB code: 3ru4 was solved by G.F.Esteves, C.R.Santos, M.M.Ventura, J.A.R.G.Barbosa, S.M.Freitas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	62.02 / 1.68
*Space group*	P 1
*Cell size a, b, c (Å), α, β, γ (°)*	49.477, 54.571, 69.286, 67.28, 71.04, 73.55
*R / R_free (%)*	15.7 / 19.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Bowman-Birk Serine Protease Inhibitor Btci in Complex with Trypsin and Chymotrypsin (pdb code 3ru4). 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 Crystal Structure of the Bowman-Birk Serine Protease Inhibitor Btci in Complex with Trypsin and Chymotrypsin, PDB code: 3ru4:

Calcium binding site 1 out of 1 in 3ru4

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Calcium Binding Sites List in 3ru4

Calcium binding site 1 out of 1 in the Crystal Structure of the Bowman-Birk Serine Protease Inhibitor Btci in Complex with Trypsin and Chymotrypsin

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 the Bowman-Birk Serine Protease Inhibitor Btci in Complex with Trypsin and Chymotrypsin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
T:Ca300 b:24.1 occ:1.00	OE1	T:GLU67	2.2	25.3	1.0
	O	T:VAL72	2.2	21.3	1.0
	OE2	T:GLU77	2.3	24.3	1.0
	O	T:ASN69	2.3	21.8	1.0
	O	T:HOH650	2.4	22.8	1.0
	O	T:HOH651	2.4	21.3	1.0
	CD	T:GLU77	3.3	23.4	1.0
	CD	T:GLU67	3.3	23.1	1.0
	C	T:VAL72	3.3	23.4	1.0
	C	T:ASN69	3.5	20.6	1.0
	CG	T:GLU77	3.6	23.9	1.0
	OE2	T:GLU67	3.7	22.1	1.0
	N	T:GLU74	4.1	24.4	1.0
	OE1	T:GLU74	4.1	24.9	1.0
	CA	T:VAL73	4.1	26.4	1.0
	N	T:VAL73	4.1	25.3	1.0
	N	T:VAL72	4.2	22.6	1.0
	CA	T:ILE70	4.2	21.3	1.0
	CG	T:GLU74	4.3	24.6	1.0
	N	T:ASN69	4.3	20.1	1.0
	N	T:ILE70	4.3	20.8	1.0
	O	T:HOH635	4.4	25.7	1.0
	CA	T:VAL72	4.4	23.4	1.0
	CA	T:ASN69	4.4	20.8	1.0
	C	T:ILE70	4.4	22.3	1.0
	OE1	T:GLU77	4.4	26.2	1.0
	O	T:HOH507	4.5	37.0	1.0
	N	T:ASP68	4.6	18.3	1.0
	CG	T:GLU67	4.6	18.9	1.0
	C	T:VAL73	4.6	26.5	1.0
	CB	T:GLU74	4.6	23.8	1.0
	CD	T:GLU74	4.6	24.6	1.0
	CB	T:ASN69	4.7	20.1	1.0
	CA	T:GLU67	4.7	18.3	1.0
	O	T:ILE70	4.7	24.2	1.0
	CB	T:GLU67	4.8	16.1	1.0
	N	T:ASN71	4.9	21.3	1.0
	C	T:ASP68	5.0	18.4	1.0

Reference:

G.F.Esteves, R.C.L.Teles, N.S.Cavalcante, D.Neves, M.M.Ventura, J.A.R.G.Barbosa, S.M.Freitas. Crystal Structure of the Bowman-Birk Serine Protease Inhibitor Btci in Complex with Trypsin and Chymotrypsin To Be Published.

Page generated: Tue Jul 8 16:25:42 2025

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