Copper in PDB 4b61: In Meso Structure of Alginate Transporter, Alge, From Pseudomoas Aeruginosa, PAO1. Crystal Form 3.

The structure of In Meso Structure of Alginate Transporter, Alge, From Pseudomoas Aeruginosa, PAO1. Crystal Form 3., PDB code: 4b61 was solved by J.Tan, V.E.Pye, D.Aragao, M.Caffrey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.87 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.672, 77.463, 240.290, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 24.4

The structure of In Meso Structure of Alginate Transporter, Alge, From Pseudomoas Aeruginosa, PAO1. Crystal Form 3. also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Copper atom in the In Meso Structure of Alginate Transporter, Alge, From Pseudomoas Aeruginosa, PAO1. Crystal Form 3. (pdb code 4b61). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the In Meso Structure of Alginate Transporter, Alge, From Pseudomoas Aeruginosa, PAO1. Crystal Form 3., PDB code: 4b61:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the In Meso Structure of Alginate Transporter, Alge, From Pseudomoas Aeruginosa, PAO1. Crystal Form 3.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of In Meso Structure of Alginate Transporter, Alge, From Pseudomoas Aeruginosa, PAO1. Crystal Form 3. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1504 b:62.5 occ:1.00 OXT A:ACT1508 2.0 58.2 1.0 NE2 A:HIS218 2.0 46.6 1.0 O A:HOH2112 2.5 47.9 1.0 CE1 A:HIS218 2.6 43.2 1.0 C A:ACT1508 2.9 57.1 1.0 O A:ACT1508 3.1 56.7 1.0 CD2 A:HIS218 3.2 44.1 1.0 O A:HOH2113 3.6 38.9 1.0 ND1 A:HIS218 3.8 41.7 1.0 CG A:HIS218 4.1 40.5 1.0 CH3 A:ACT1508 4.3 55.7 1.0 O A:HOH2060 4.4 53.9 1.0 O A:HOH2076 4.5 61.2 1.0 O A:HOH2061 4.6 60.4 1.0 CB A:PRO217 5.0 30.6 1.0

Copper binding site 2 out of 4 in the In Meso Structure of Alginate Transporter, Alge, From Pseudomoas Aeruginosa, PAO1. Crystal Form 3.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of In Meso Structure of Alginate Transporter, Alge, From Pseudomoas Aeruginosa, PAO1. Crystal Form 3. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1505 b:77.2 occ:1.00 O A:GLY63 2.3 67.1 1.0 OD1 A:ASP57 2.4 51.9 1.0 OD2 A:ASP55 2.4 49.9 1.0 O A:ALA61 2.4 72.6 1.0 OD2 A:ASP57 2.4 55.9 1.0 CG A:ASP57 2.7 53.3 1.0 OD1 A:ASP55 2.9 47.1 1.0 CG A:ASP55 3.0 46.8 1.0 C A:GLY63 3.5 66.5 1.0 C A:ALA61 3.5 72.4 1.0 C A:PRO62 3.8 73.7 1.0 N A:GLY63 3.9 72.2 1.0 O A:PRO62 4.1 74.5 1.0 CA A:GLY59 4.2 55.6 1.0 CA A:GLY63 4.2 69.1 1.0 CB A:ASP57 4.3 51.0 1.0 N A:ALA61 4.3 68.2 1.0 CA A:PRO62 4.3 74.0 1.0 N A:PRO62 4.4 74.5 1.0 N A:GLY59 4.4 53.3 1.0 C A:GLY59 4.5 59.2 1.0 CA A:ALA61 4.5 70.5 1.0 N A:GLY64 4.5 63.2 1.0 CB A:ASP55 4.5 44.4 1.0 CA A:GLY64 4.6 60.7 1.0 N A:THR60 4.7 61.8 1.0 N A:ASP57 4.8 45.1 1.0 CA A:ASP57 4.9 47.7 1.0 CG2 A:THR65 4.9 45.8 1.0 O A:GLY59 4.9 60.4 1.0 C A:GLY64 4.9 58.3 1.0

Copper binding site 3 out of 4 in the In Meso Structure of Alginate Transporter, Alge, From Pseudomoas Aeruginosa, PAO1. Crystal Form 3.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of In Meso Structure of Alginate Transporter, Alge, From Pseudomoas Aeruginosa, PAO1. Crystal Form 3. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu1499 b:78.8 occ:1.00 OD2 B:ASP55 2.1 55.8 1.0 OD1 B:ASP57 2.2 61.9 1.0 O B:GLY63 2.2 66.6 1.0 OD1 B:ASP55 2.5 54.2 1.0 OD2 B:ASP57 2.5 57.0 1.0 CG B:ASP55 2.7 54.2 1.0 CG B:ASP57 2.7 58.3 1.0 O B:ALA61 2.8 76.1 1.0 C B:GLY63 3.5 65.1 1.0 C B:ALA61 3.9 76.2 1.0 CA B:GLY59 4.0 60.7 1.0 N B:GLY59 4.1 56.0 1.0 CB B:ASP57 4.2 54.6 1.0 CB B:ASP55 4.2 51.8 1.0 N B:GLY63 4.2 71.6 1.0 C B:PRO62 4.2 72.8 1.0 N B:GLY64 4.4 62.1 1.0 CA B:GLY63 4.4 68.1 1.0 CA B:GLY64 4.4 60.5 1.0 C B:GLY59 4.4 65.3 1.0 O B:PRO62 4.4 71.1 1.0 N B:ALA61 4.5 71.8 1.0 N B:ASP57 4.6 49.5 1.0 CG2 B:THR65 4.6 62.0 1.0 C B:GLY64 4.7 59.3 1.0 N B:THR60 4.7 67.7 1.0 CA B:PRO62 4.7 76.5 1.0 CA B:ASP57 4.7 51.7 1.0 CA B:ALA61 4.8 73.4 1.0 N B:PRO62 4.8 78.1 1.0 C B:ASP57 4.8 51.5 1.0 O B:GLY59 5.0 67.7 1.0 O B:GLY64 5.0 56.7 1.0

Copper binding site 4 out of 4 in the In Meso Structure of Alginate Transporter, Alge, From Pseudomoas Aeruginosa, PAO1. Crystal Form 3.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of In Meso Structure of Alginate Transporter, Alge, From Pseudomoas Aeruginosa, PAO1. Crystal Form 3. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu1500 b:67.9 occ:1.00 NE2 B:HIS145 2.1 24.9 1.0 O B:HOH2027 2.1 48.1 1.0 O B:HOH2090 2.4 57.5 1.0 CD2 B:HIS145 3.0 23.6 1.0 CE1 B:HIS145 3.1 23.5 1.0 O B:HOH2026 3.1 44.9 1.0 CG B:HIS145 4.1 20.4 1.0 ND1 B:HIS145 4.2 21.4 1.0 OE2 B:GLU173 4.4 55.3 1.0 CB B:SER171 4.5 21.1 1.0 O B:GLY143 4.6 25.7 1.0 OG B:SER171 4.7 21.4 1.0 CD B:GLU173 4.8 53.3 1.0

J.Tan, S.L.Rouse, D.Li, V.E.Pye, L.Vogeley, A.R.Brinth, T.El Arnaout, J.C.Whitney, P.L.Howell, M.S.P.Sansom, M.Caffrey. A Conformational Landscape For Alginate Secretion Across the Outer Membrane of Pseudomonas Aeruginosa. Acta Crystallogr.,Sect.D V. 70 2054 2014.
ISSN: ISSN 0907-4449
PubMed: 25084326
DOI: 10.1107/S1399004714001850