Calcium in PDB 3niu: Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution

Enzymatic activity of Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution

All present enzymatic activity of Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution:
1.11.1.7;

Protein crystallography data

The structure of Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution, PDB code: 3niu was solved by G.Vikram, R.P.Singh, A.K.Singh, M.Sinha, P.Kaur, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	25.00 / 2.94
*Space group*	P 1
*Cell size a, b, c (Å), α, β, γ (°)*	59.199, 75.587, 83.808, 79.93, 77.86, 72.50
*R / R_free (%)*	19.7 / 23.2

Other elements in 3niu:

The structure of Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution (pdb code 3niu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution, PDB code: 3niu:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 3niu

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Calcium Binding Sites List in 3niu

Calcium binding site 1 out of 2 in the Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution

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 Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca1000 b:13.9 occ:1.00	OD1	A:ASP188	2.1	12.7	1.0
	OG	A:SER190	2.3	12.1	1.0
	O	A:PHE186	2.3	10.3	1.0
	O	A:THR184	2.3	11.1	1.0
	OD1	A:ASP110	2.4	11.2	1.0
	O	A:ASP110	2.4	12.2	1.0
	OG1	A:THR184	2.4	11.2	1.0
	CG	A:ASP188	3.3	12.1	1.0
	C	A:THR184	3.3	11.1	1.0
	C	A:PHE186	3.5	10.3	1.0
	CB	A:SER190	3.5	11.9	1.0
	C	A:ASP110	3.5	12.1	1.0
	CG	A:ASP110	3.6	11.5	1.0
	CB	A:THR184	3.6	11.2	1.0
	OD2	A:ASP188	3.8	12.8	1.0
	CA	A:THR184	3.9	11.3	1.0
	N	A:ASP188	3.9	11.2	1.0
	N	A:PHE186	4.0	10.2	1.0
	N	A:THR184	4.0	11.8	1.0
	CA	A:ASP110	4.3	11.5	1.0
	CA	A:PHE186	4.3	10.1	1.0
	N	A:SER190	4.3	11.7	1.0
	N	A:SER185	4.4	10.8	1.0
	C	A:SER185	4.4	10.4	1.0
	CB	A:ASP110	4.5	11.4	1.0
	N	A:LEU187	4.5	10.4	1.0
	CB	A:ASP188	4.5	11.6	1.0
	OD2	A:ASP110	4.5	11.9	1.0
	CA	A:SER190	4.5	11.9	1.0
	N	A:LEU111	4.5	12.8	1.0
	CA	A:LEU187	4.6	10.7	1.0
	CA	A:ASP188	4.7	11.4	1.0
	CG2	A:THR184	4.7	11.3	1.0
	CA	A:LEU111	4.7	13.6	1.0
	C	A:LEU187	4.8	10.9	1.0
	CA	A:SER185	4.8	10.5	1.0
	CB	A:PHE186	4.9	9.7	1.0
	N	A:ALA189	5.0	11.5	1.0
	O	A:SER185	5.0	10.3	1.0
	C	A:ASP188	5.0	11.5	1.0

Calcium binding site 2 out of 2 in 3niu

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Calcium Binding Sites List in 3niu

Calcium binding site 2 out of 2 in the Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Ca1000 b:22.8 occ:1.00	OG	B:SER190	2.1	12.9	1.0
	O	B:PHE186	2.2	11.5	1.0
	O	B:THR184	2.3	11.8	1.0
	OD1	B:ASP188	2.4	11.4	1.0
	O	B:ASP110	2.4	12.8	1.0
	OD1	B:ASP110	2.4	12.4	1.0
	OG1	B:THR184	2.4	11.9	1.0
	C	B:THR184	3.3	11.9	1.0
	CG	B:ASP188	3.4	11.3	1.0
	C	B:PHE186	3.4	11.5	1.0
	CB	B:SER190	3.5	12.6	1.0
	C	B:ASP110	3.5	12.7	1.0
	CG	B:ASP110	3.6	12.5	1.0
	CB	B:THR184	3.6	12.0	1.0
	OD2	B:ASP188	3.8	11.4	1.0
	CA	B:THR184	3.8	12.1	1.0
	CG1	B:VAL183	4.0	13.5	1.0
	N	B:THR184	4.0	12.5	1.0
	N	B:ASP188	4.0	11.5	1.0
	N	B:PHE186	4.0	11.6	1.0
	CA	B:PHE186	4.3	11.5	1.0
	N	B:SER185	4.3	11.7	1.0
	CA	B:ASP110	4.3	12.3	1.0
	N	B:LEU187	4.4	11.4	1.0
	C	B:SER185	4.4	11.7	1.0
	N	B:LEU111	4.4	13.3	1.0
	N	B:SER190	4.4	12.2	1.0
	OD2	B:ASP110	4.5	12.7	1.0
	CA	B:LEU111	4.5	13.8	1.0
	CA	B:LEU187	4.5	11.4	1.0
	CB	B:ASP110	4.5	12.3	1.0
	CA	B:SER190	4.6	12.6	1.0
	CB	B:ASP188	4.6	11.4	1.0
	CG2	B:THR184	4.7	11.8	1.0
	CD2	B:LEU111	4.7	12.5	1.0
	CA	B:SER185	4.8	11.6	1.0
	C	B:LEU187	4.8	11.4	1.0
	CA	B:ASP188	4.8	11.5	1.0
	O	B:SER185	4.9	11.8	1.0
	CB	B:PHE186	4.9	11.4	1.0

Reference:

G.Vikram, R.P.Singh, A.K.Singh, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution To Be Published.

Page generated: Sat Jul 13 14:59:59 2024

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