Copper in PDB 3nrq: Crystal Structure of Copper-Reconstituted Fetp From Uropathogenic Escherichia Coli Strain F11

The structure of Crystal Structure of Copper-Reconstituted Fetp From Uropathogenic Escherichia Coli Strain F11, PDB code: 3nrq was solved by A.C.K.Chan, M.E.P.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.16 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.410, 51.970, 146.650, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23.5

The binding sites of Copper atom in the Crystal Structure of Copper-Reconstituted Fetp From Uropathogenic Escherichia Coli Strain F11 (pdb code 3nrq). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Crystal Structure of Copper-Reconstituted Fetp From Uropathogenic Escherichia Coli Strain F11, PDB code: 3nrq:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Crystal Structure of Copper-Reconstituted Fetp From Uropathogenic Escherichia Coli Strain F11


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Copper-Reconstituted Fetp From Uropathogenic Escherichia Coli Strain F11 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu200 b:16.4 occ:0.50 CU A:CU200 0.0 16.4 0.5 CU A:CU200 1.3 17.2 0.5 NE2 A:HIS97 1.8 23.6 1.0 NE2 A:HIS44 1.9 19.4 1.0 NE2 B:HIS127 2.0 23.8 1.0 SD A:MET90 2.7 18.0 0.5 CD2 A:HIS44 2.7 19.4 1.0 CE1 B:HIS127 2.7 27.3 1.0 CE1 A:HIS97 2.7 23.7 1.0 CD2 A:HIS97 2.9 20.2 1.0 OE2 A:GLU46 3.0 23.4 1.0 CE1 A:HIS44 3.0 20.8 1.0 CD2 B:HIS127 3.3 28.4 1.0 SD A:MET90 3.4 27.2 0.5 CG A:MET90 3.6 15.9 0.5 CD A:GLU46 3.6 25.9 1.0 CG A:GLU46 3.8 21.5 1.0 ND1 A:HIS97 3.9 26.0 1.0 CG A:HIS44 3.9 19.2 1.0 CG A:HIS97 4.0 20.9 1.0 ND1 B:HIS127 4.0 27.2 1.0 ND1 A:HIS44 4.0 21.4 1.0 CE A:MET90 4.1 12.5 0.5 CG B:HIS127 4.2 24.9 1.0 O A:HOH205 4.4 56.4 1.0 CB A:MET90 4.4 18.8 0.5 CA A:GLY99 4.6 18.0 1.0 CG A:MET90 4.6 21.2 0.5 OE1 A:GLU46 4.6 28.1 1.0 CE A:MET90 4.8 28.2 0.5 CG1 A:ILE27 4.9 27.2 0.5 CB A:MET90 5.0 16.2 0.5

Copper binding site 2 out of 4 in the Crystal Structure of Copper-Reconstituted Fetp From Uropathogenic Escherichia Coli Strain F11


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of Copper-Reconstituted Fetp From Uropathogenic Escherichia Coli Strain F11 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu200 b:17.2 occ:0.50 CU A:CU200 0.0 17.2 0.5 CU A:CU200 1.3 16.4 0.5 SD A:MET90 1.5 18.0 0.5 NE2 A:HIS44 2.1 19.4 1.0 SD A:MET90 2.2 27.2 0.5 NE2 B:HIS127 2.2 23.8 1.0 NE2 A:HIS97 2.4 23.6 1.0 CE1 A:HIS44 2.7 20.8 1.0 CG A:MET90 2.8 15.9 0.5 CE A:MET90 2.9 12.5 0.5 CD2 B:HIS127 3.0 28.4 1.0 CD2 A:HIS44 3.3 19.4 1.0 CE1 B:HIS127 3.3 27.3 1.0 CE1 A:HIS97 3.4 23.7 1.0 CD2 A:HIS97 3.4 20.2 1.0 CG A:MET90 3.5 21.2 0.5 CB A:MET90 3.5 18.8 0.5 CE A:MET90 3.6 28.2 0.5 ND1 A:HIS44 3.9 21.4 1.0 CB A:MET90 4.0 16.2 0.5 CG B:HIS127 4.2 24.9 1.0 CG A:HIS44 4.2 19.2 1.0 OE2 A:GLU46 4.3 23.4 1.0 ND1 B:HIS127 4.3 27.2 1.0 CA A:GLY99 4.3 18.0 1.0 ND1 A:HIS97 4.5 26.0 1.0 CG A:HIS97 4.5 20.9 1.0 N A:GLY99 4.7 17.6 1.0 CG1 A:ILE27 4.7 27.2 0.5 C A:GLY99 4.7 18.0 1.0 CD1 A:ILE27 4.8 28.6 0.5 CG A:GLU46 4.8 21.5 1.0 CD A:GLU46 4.9 25.9 1.0 CA A:MET90 5.0 17.7 0.5

Copper binding site 3 out of 4 in the Crystal Structure of Copper-Reconstituted Fetp From Uropathogenic Escherichia Coli Strain F11


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of Copper-Reconstituted Fetp From Uropathogenic Escherichia Coli Strain F11 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu200 b:21.7 occ:0.50 CU B:CU200 0.0 21.7 0.5 SD B:MET90 1.4 27.4 0.5 CU B:CU200 1.4 28.7 0.5 NE2 B:HIS44 2.1 26.1 1.0 NE2 A:HIS127 2.2 34.1 1.0 NE2 B:HIS97 2.3 29.2 1.0 SD B:MET90 2.3 30.4 0.5 CG B:MET90 2.7 23.8 0.5 CE B:MET90 2.8 25.8 0.5 CE1 B:HIS44 2.8 26.8 1.0 CG B:MET90 2.9 27.3 0.5 CD2 A:HIS127 3.2 34.3 1.0 CD2 B:HIS44 3.2 27.1 1.0 CE1 A:HIS127 3.2 35.3 1.0 CD2 B:HIS97 3.3 25.4 1.0 CE1 B:HIS97 3.3 29.7 1.0 CE B:MET90 3.3 33.6 0.5 CB B:MET90 3.4 23.9 0.5 CB B:MET90 4.0 21.8 0.5 OE2 B:GLU46 4.0 35.7 1.0 ND1 B:HIS44 4.0 26.8 1.0 CE B:MET29 4.1 41.7 0.3 CG B:HIS44 4.2 26.2 1.0 SD B:MET29 4.2 42.9 0.3 ND1 A:HIS127 4.3 36.0 1.0 CG A:HIS127 4.4 34.0 1.0 ND1 B:HIS97 4.4 28.9 1.0 CG B:HIS97 4.4 26.2 1.0 CA B:GLY99 4.5 23.7 1.0 CD B:GLU46 4.6 35.7 1.0 CD1 B:ILE27 4.6 40.8 1.0 CG B:GLU46 4.6 30.7 1.0 CG1 B:ILE27 4.7 40.1 1.0 N B:GLY99 4.7 22.6 1.0 C B:GLY99 4.8 24.6 1.0 CA B:MET90 4.9 22.8 0.5

Copper binding site 4 out of 4 in the Crystal Structure of Copper-Reconstituted Fetp From Uropathogenic Escherichia Coli Strain F11


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of Copper-Reconstituted Fetp From Uropathogenic Escherichia Coli Strain F11 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu200 b:28.7 occ:0.50 CU B:CU200 0.0 28.7 0.5 CU B:CU200 1.4 21.7 0.5 NE2 B:HIS97 1.8 29.2 1.0 NE2 B:HIS44 2.1 26.1 1.0 NE2 A:HIS127 2.3 34.1 1.0 OE2 B:GLU46 2.6 35.7 1.0 CD2 B:HIS44 2.7 27.1 1.0 SD B:MET90 2.7 27.4 0.5 CE1 B:HIS97 2.7 29.7 1.0 CE1 A:HIS127 2.7 35.3 1.0 CD2 B:HIS97 2.8 25.4 1.0 CE1 B:HIS44 3.3 26.8 1.0 CD B:GLU46 3.3 35.7 1.0 CG B:GLU46 3.6 30.7 1.0 CD2 A:HIS127 3.6 34.3 1.0 CG B:MET90 3.6 23.8 0.5 SD B:MET90 3.7 30.4 0.5 ND1 B:HIS97 3.8 28.9 1.0 CG B:HIS97 3.9 26.2 1.0 CG B:HIS44 4.0 26.2 1.0 ND1 A:HIS127 4.0 36.0 1.0 CE B:MET90 4.1 25.8 0.5 CG B:MET90 4.1 27.3 0.5 ND1 B:HIS44 4.2 26.8 1.0 OE1 B:GLU46 4.3 37.3 1.0 CB B:MET90 4.4 23.9 0.5 CG A:HIS127 4.5 34.0 1.0 CE B:MET90 4.7 33.6 0.5 CG1 B:ILE27 4.8 40.1 1.0 CA B:GLY99 4.9 23.7 1.0 CB B:GLU46 4.9 27.9 1.0

D.Koch, A.C.Chan, M.E.Murphy, H.Lilie, G.Grass, D.H.Nies. Characterization of A Dipartite Iron Uptake System From Uropathogenic Escherichia Coli Strain F11. J.Biol.Chem. V. 286 25317 2011.
ISSN: ISSN 0021-9258
PubMed: 21596746
DOI: 10.1074/JBC.M111.222745