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Copper in PDB 5i0x: Copper-Bound M90I Variant of Uropathogenic Escherichia Coli Strain F11 Fetp

Protein crystallography data

The structure of Copper-Bound M90I Variant of Uropathogenic Escherichia Coli Strain F11 Fetp, PDB code: 5i0x was solved by A.C.Chan, M.E.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 66.03 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.155, 51.612, 66.136, 90.00, 93.30, 90.00
R / Rfree (%) 17.6 / 20.8

Copper Binding Sites:

The binding sites of Copper atom in the Copper-Bound M90I Variant of Uropathogenic Escherichia Coli Strain F11 Fetp (pdb code 5i0x). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 binding sites of Copper where determined in the Copper-Bound M90I Variant of Uropathogenic Escherichia Coli Strain F11 Fetp, PDB code: 5i0x:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in 5i0x

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Copper binding site 1 out of 3 in the Copper-Bound M90I Variant of Uropathogenic Escherichia Coli Strain F11 Fetp


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Copper-Bound M90I Variant of Uropathogenic Escherichia Coli Strain F11 Fetp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu201

b:12.5
occ:1.00
NE2 A:HIS44 1.9 11.7 1.0
NE2 A:HIS97 2.0 12.7 1.0
NE2 B:HIS127 2.1 13.0 1.0
OE1 A:GLU46 2.3 13.2 0.5
OE2 A:GLU46 2.7 13.2 0.5
CD A:GLU46 2.8 13.0 0.5
OE2 A:GLU46 2.9 13.3 0.5
CD2 A:HIS44 2.9 11.6 1.0
CE1 B:HIS127 2.9 14.6 1.0
CE1 A:HIS44 2.9 12.1 1.0
CD2 A:HIS97 3.0 11.9 1.0
CE1 A:HIS97 3.0 13.2 1.0
CD2 B:HIS127 3.2 14.5 1.0
CD A:GLU46 3.4 12.9 0.5
CG A:GLU46 3.5 12.3 0.5
CD1 A:ILE90 3.6 11.8 1.0
ND1 A:HIS44 4.1 12.2 1.0
CG A:HIS44 4.1 11.7 1.0
ND1 A:HIS97 4.1 13.4 1.0
CG2 A:ILE90 4.1 12.4 1.0
CG A:HIS97 4.1 11.7 1.0
ND1 B:HIS127 4.1 14.6 1.0
CG B:HIS127 4.3 14.6 1.0
CG A:GLU46 4.3 12.7 0.5
CB A:ILE90 4.4 11.2 1.0
OE1 A:GLU46 4.5 14.4 0.5
CG1 A:ILE90 4.6 11.5 1.0
CB A:GLU46 4.8 11.5 0.5
O A:HOH321 4.9 36.6 1.0
CA A:GLY99 5.0 10.0 1.0

Copper binding site 2 out of 3 in 5i0x

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Copper binding site 2 out of 3 in the Copper-Bound M90I Variant of Uropathogenic Escherichia Coli Strain F11 Fetp


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Copper-Bound M90I Variant of Uropathogenic Escherichia Coli Strain F11 Fetp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu202

b:11.4
occ:1.00
NE2 B:HIS97 2.0 9.9 1.0
NE2 B:HIS44 2.0 9.8 1.0
NE2 A:HIS127 2.1 11.8 1.0
OE2 B:GLU46 2.2 11.8 0.5
OE1 B:GLU46 2.7 11.7 0.5
CD B:GLU46 2.8 11.8 0.5
CD2 B:HIS44 2.9 9.8 1.0
CE1 A:HIS127 2.9 12.9 1.0
CE1 B:HIS97 3.0 10.4 1.0
CD2 B:HIS97 3.0 10.1 1.0
OE2 B:GLU46 3.0 11.5 0.5
CE1 B:HIS44 3.1 10.0 1.0
CD2 A:HIS127 3.2 12.1 1.0
CD1 B:ILE90 3.6 11.1 1.0
CD B:GLU46 3.6 10.8 0.5
CG B:GLU46 3.7 10.6 0.5
CG2 B:ILE90 4.0 10.3 1.0
CG B:HIS44 4.1 9.7 1.0
ND1 B:HIS97 4.1 11.1 1.0
ND1 A:HIS127 4.1 12.8 1.0
CG B:HIS97 4.1 10.1 1.0
ND1 B:HIS44 4.1 10.2 1.0
CG A:HIS127 4.3 12.4 1.0
CG B:GLU46 4.3 11.4 0.5
CB B:ILE90 4.3 9.6 1.0
CG1 B:ILE90 4.5 10.2 1.0
OE1 B:GLU46 4.5 13.1 0.5
O B:HOH314 4.7 28.3 1.0
SD B:MET29 4.9 14.9 1.0
CB B:GLU46 5.0 10.1 0.5

Copper binding site 3 out of 3 in 5i0x

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Copper binding site 3 out of 3 in the Copper-Bound M90I Variant of Uropathogenic Escherichia Coli Strain F11 Fetp


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Copper-Bound M90I Variant of Uropathogenic Escherichia Coli Strain F11 Fetp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu201

b:14.4
occ:0.75
ND1 B:HIS115 2.0 13.6 1.0
OD1 B:ASP142 2.1 16.1 1.0
O B:HOH349 2.7 32.8 1.0
CG B:HIS115 2.9 13.1 1.0
CE1 B:HIS115 3.0 15.2 1.0
CG B:ASP142 3.0 14.9 1.0
CB B:HIS115 3.2 12.2 1.0
OD2 B:ASP142 3.2 17.2 1.0
CA B:HIS115 3.9 11.2 1.0
CD2 B:HIS115 4.1 13.6 1.0
NE2 B:HIS115 4.1 14.1 1.0
CB B:ASP142 4.4 14.3 1.0
O B:HOH447 4.5 31.6 1.0
O B:PHE141 4.8 12.7 1.0
C B:HIS115 4.9 11.9 1.0
CA B:ASP142 4.9 13.0 1.0
C B:PHE141 4.9 12.8 1.0
N B:HIS115 4.9 10.3 1.0
N B:ASP142 4.9 12.4 1.0

Reference:

A.C.Chan, D.Koch, G.Grass, M.E.Murphy, D.H.Nies. Metal-Handling and Receptor Recognition By Fetp and P19 From Uropathogenic Escherichia Coli and Campylobacter Jejuni To Be Published.
Page generated: Wed Jul 31 04:11:27 2024

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