Calcium in PDB 6e5m: Crystallographic Structure of the Cyclic Nonapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 32 2 1

Enzymatic activity of Crystallographic Structure of the Cyclic Nonapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 32 2 1

All present enzymatic activity of Crystallographic Structure of the Cyclic Nonapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 32 2 1:
3.4.21.4;

Protein crystallography data

The structure of Crystallographic Structure of the Cyclic Nonapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 32 2 1, PDB code: 6e5m was solved by J.C.Fernandes, N.F.Valadares, S.M.Freitas, J.A.R.G.Barbosa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	25.26 / 1.61
*Space group*	P 3₂ 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	68.696, 68.696, 74.577, 90.00, 90.00, 120.00
*R / R_free (%)*	15.7 / 18.9

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystallographic Structure of the Cyclic Nonapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 32 2 1 (pdb code 6e5m). 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 Crystallographic Structure of the Cyclic Nonapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 32 2 1, PDB code: 6e5m:

Calcium binding site 1 out of 1 in 6e5m

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Calcium Binding Sites List in 6e5m

Calcium binding site 1 out of 1 in the Crystallographic Structure of the Cyclic Nonapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 32 2 1

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystallographic Structure of the Cyclic Nonapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 32 2 1 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca301 b:23.1 occ:1.00	OE2	A:GLU80	2.2	22.9	1.0
	OE1	A:GLU70	2.3	19.4	1.0
	O	A:ASN72	2.3	22.9	1.0
	O	A:VAL75	2.3	24.2	1.0
	O	A:HOH436	2.3	22.7	1.0
	O	A:HOH408	2.4	20.3	1.0
	HG2	A:GLU80	3.1	31.1	1.0
	CD	A:GLU80	3.2	25.1	1.0
	CD	A:GLU70	3.3	19.6	1.0
	HA	A:VAL76	3.4	27.8	1.0
	C	A:ASN72	3.4	20.7	1.0
	C	A:VAL75	3.5	25.5	1.0
	HA	A:ILE73	3.5	26.8	1.0
	CG	A:GLU80	3.5	25.9	1.0
	HG3	A:GLU80	3.6	31.1	1.0
	H	A:GLU77	3.6	27.3	1.0
	OE2	A:GLU70	3.6	22.9	1.0
	H	A:VAL75	3.7	29.6	1.0
	HG3	A:GLU77	3.7	37.4	1.0
	H	A:ASP71	3.9	22.9	1.0
	HA	A:GLU70	4.0	25.5	1.0
	HB3	A:ASN72	4.1	33.7	1.0
	HB2	A:GLU77	4.2	31.8	1.0
	CA	A:ILE73	4.2	22.3	1.0
	CA	A:VAL76	4.2	23.2	1.0
	N	A:GLU77	4.2	22.8	1.0
	N	A:VAL76	4.2	25.2	1.0
	N	A:ILE73	4.3	21.8	1.0
	N	A:VAL75	4.3	24.7	1.0
	OE1	A:GLU77	4.3	24.6	1.0
	H	A:ASN72	4.3	25.9	1.0
	OE1	A:GLU80	4.4	25.6	1.0
	N	A:ASN72	4.4	21.6	1.0
	CA	A:ASN72	4.4	20.3	1.0
	CA	A:VAL75	4.5	25.1	1.0
	CG	A:GLU77	4.5	31.1	1.0
	C	A:ILE73	4.5	20.4	1.0
	HB3	A:GLU70	4.6	23.6	1.0
	CG	A:GLU70	4.6	20.5	1.0
	O	A:HOH519	4.6	22.8	1.0
	N	A:ASP71	4.6	19.1	1.0
	C	A:VAL76	4.7	27.6	1.0
	CB	A:GLU77	4.8	26.5	1.0
	O	A:HOH593	4.8	27.6	1.0
	CB	A:ASN72	4.8	28.1	1.0
	CA	A:GLU70	4.8	21.2	1.0
	N	A:ASN74	4.8	21.3	1.0
	HB	A:VAL75	4.8	30.0	1.0
	CD	A:GLU77	4.8	27.1	1.0
	H	A:ASN74	4.8	25.6	1.0
	CB	A:GLU70	4.9	19.6	1.0
	HG2	A:GLU70	4.9	24.6	1.0
	O	A:ILE73	5.0	20.8	1.0

Reference:

J.P.C.Fernandes, A.Mehdad, N.F.Valadares, C.B.F.Mourao, M.M.Ventura, J.A.R.G.Barbosa, S.M.Freitas. Crystallographic Structure of A Complex Between Trypsin and A Nonapeptide Derived From A Bowman-Birk Inhibitor Found in Vigna Unguiculata Seeds. Arch. Biochem. Biophys. V. 665 79 2019.
ISSN: ESSN 1096-0384
PubMed: 30817908
DOI: 10.1016/J.ABB.2019.02.013

Page generated: Mon Jul 15 18:10:13 2024

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