Copper in PDB 3s8g: 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment

Enzymatic activity of 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment

All present enzymatic activity of 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment:
1.9.3.1;

Protein crystallography data

The structure of 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment, PDB code: 3s8g was solved by T.Tiefenbrunn, W.Liu, Y.Chen, V.Katritch, C.D.Stout, J.A.Fee, V.Cherezov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	39.48 / 1.80
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	144.963, 98.636, 95.060, 90.00, 128.07, 90.00
*R / R_free (%)*	17.5 / 19.6

Other elements in 3s8g:

The structure of 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

Copper Binding Sites:

The binding sites of Copper atom in the 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment (pdb code 3s8g). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 binding sites of Copper where determined in the 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment, PDB code: 3s8g:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in 3s8g

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Copper Binding Sites List in 3s8g

Copper binding site 1 out of 3 in the 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment

Mono view

Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cu803 b:15.3 occ:1.00	ND1	A:HIS233	1.9	10.9	1.0
	NE2	A:HIS283	2.0	14.4	1.0
	NE2	A:HIS282	2.0	16.0	1.0
	O2	A:PER563	2.2	14.6	1.0
	O1	A:PER563	2.7	15.7	1.0
	CG	A:HIS233	2.9	15.1	1.0
	CE1	A:HIS283	2.9	12.5	1.0
	CE1	A:HIS282	3.0	17.6	1.0
	CE1	A:HIS233	3.0	13.9	1.0
	CD2	A:HIS283	3.0	13.3	1.0
	CD2	A:HIS282	3.1	15.8	1.0
	CB	A:HIS233	3.2	14.9	1.0
	CA	A:HIS233	3.6	14.6	1.0
	ND1	A:HIS283	4.0	12.3	1.0
	CD2	A:HIS233	4.0	13.9	1.0
	NE2	A:HIS233	4.1	13.5	1.0
	CG	A:HIS283	4.1	13.8	1.0
	ND1	A:HIS282	4.1	17.0	1.0
	CG	A:HIS282	4.2	16.9	1.0
	C1D	A:HAS801	4.4	14.1	1.0
	ND	A:HAS801	4.4	13.2	1.0
	N	A:HIS233	4.5	14.8	1.0
	C2D	A:HAS801	4.5	13.6	1.0
	C4D	A:HAS801	4.5	11.5	1.0
	O	A:HOH618	4.6	45.4	1.0
	C3D	A:HAS801	4.6	13.3	1.0
	C	A:HIS233	4.6	15.0	1.0
	O	A:HIS233	4.7	15.1	1.0
	O	A:GLY232	4.8	15.6	1.0
	CHB	A:HAS801	4.9	11.2	1.0
	FE	A:HAS801	4.9	14.0	1.0
	CMD	A:HAS801	5.0	16.0	1.0

Copper binding site 2 out of 3 in 3s8g

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Copper Binding Sites List in 3s8g

Copper binding site 2 out of 3 in the 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment

Mono view

Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cu802 b:14.3 occ:1.00	CU1	B:CUA802	0.0	14.3	1.0
	ND1	B:HIS157	1.9	11.8	1.0
	SG	B:CYS149	2.4	13.6	1.0
	SG	B:CYS153	2.4	14.5	1.0
	O	B:GLN151	2.6	14.3	1.0
	CU2	B:CUA802	2.6	14.1	1.0
	CE1	B:HIS157	2.8	12.7	1.0
	CG	B:HIS157	3.0	10.6	1.0
	CB	B:CYS149	3.4	13.0	1.0
	CB	B:CYS153	3.5	15.3	1.0
	CB	B:HIS157	3.5	12.0	1.0
	C	B:GLN151	3.5	13.0	1.0
	N	B:CYS153	3.6	13.4	1.0
	CA	B:HIS157	3.7	13.1	1.0
	NE2	B:HIS157	4.0	12.8	1.0
	CD2	B:HIS157	4.1	11.6	1.0
	C	B:TYR152	4.1	13.4	1.0
	CA	B:TYR152	4.2	13.5	1.0
	CA	B:CYS153	4.2	14.2	1.0
	O	B:CYS149	4.2	13.3	1.0
	O	B:HIS157	4.2	11.8	1.0
	N	B:TYR152	4.2	13.8	1.0
	C	B:CYS149	4.3	11.6	1.0
	N	B:GLN151	4.3	12.1	1.0
	C	B:HIS157	4.4	11.9	1.0
	ND1	B:HIS114	4.4	10.1	1.0
	SD	B:MET160	4.4	14.2	1.0
	CA	B:CYS149	4.5	12.7	1.0
	CA	B:GLN151	4.5	13.2	1.0
	CB	B:MET160	4.8	13.2	1.0
	N	B:HIS157	4.9	12.8	1.0
	N	B:ASN150	4.9	11.6	1.0

Copper binding site 3 out of 3 in 3s8g

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Copper Binding Sites List in 3s8g

Copper binding site 3 out of 3 in the 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment

Mono view

Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cu802 b:14.1 occ:1.00	CU2	B:CUA802	0.0	14.1	1.0
	ND1	B:HIS114	2.1	10.1	1.0
	SD	B:MET160	2.3	14.2	1.0
	SG	B:CYS149	2.4	13.6	1.0
	SG	B:CYS153	2.4	14.5	1.0
	CU1	B:CUA802	2.6	14.3	1.0
	CE1	B:HIS114	2.9	11.8	1.0
	CE	B:MET160	3.2	12.1	1.0
	CG	B:HIS114	3.2	13.4	1.0
	CB	B:CYS149	3.3	13.0	1.0
	CB	B:CYS153	3.3	15.3	1.0
	CB	B:HIS114	3.6	12.8	1.0
	CG	B:MET160	3.7	13.0	1.0
	CA	B:HIS114	4.1	13.8	1.0
	NE2	B:HIS114	4.1	13.5	1.0
	O	B:GLN151	4.1	14.3	1.0
	CB	B:MET160	4.2	13.2	1.0
	CD2	B:HIS114	4.2	10.8	1.0
	ND1	B:HIS157	4.5	11.8	1.0
	CD2	B:PHE88	4.7	13.4	1.0
	O	B:ILE113	4.7	14.2	1.0
	CA	B:CYS149	4.7	12.7	1.0
	CA	B:CYS153	4.7	14.2	1.0
	N	B:GLY115	4.7	13.6	1.0
	N	B:CYS153	5.0	13.4	1.0
	C	B:HIS114	5.0	14.2	1.0

Reference:

T.Tiefenbrunn, W.Liu, Y.Chen, V.Katritch, C.D.Stout, J.A.Fee, V.Cherezov. High Resolution Structure of the BA3 Cytochrome C Oxidase From Thermus Thermophilus in A Lipidic Environment. Plos One V. 6 22348 2011.
ISSN: ESSN 1932-6203
PubMed: 21814577
DOI: 10.1371/JOURNAL.PONE.0022348

Page generated: Wed Jul 31 01:42:44 2024

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