Copper in PDB 2eir: Design of Disulfide-Linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts

The structure of Design of Disulfide-Linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts, PDB code: 2eir was solved by M.Kobayashi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.54 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.047, 51.042, 88.973, 90.00, 90.43, 90.00
R / Rfree (%)	23.2 / 31.1

The binding sites of Copper atom in the Design of Disulfide-Linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts (pdb code 2eir). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Design of Disulfide-Linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts, PDB code: 2eir:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Design of Disulfide-Linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Design of Disulfide-Linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:44.2 occ:1.00 N A:SER1 1.9 29.6 1.0 OD1 A:ASP2 2.0 28.0 1.0 N A:ASP2 2.1 29.4 1.0 CA A:SER1 2.9 29.9 1.0 C A:SER1 2.9 29.6 1.0 CG A:ASP2 3.0 29.3 1.0 CA A:ASP2 3.2 29.1 1.0 CB A:ASP2 3.3 29.2 1.0 N A:LYS3 3.7 28.3 1.0 C A:ASP2 4.0 28.9 1.0 OD1 A:ASP43 4.0 28.6 1.0 CB A:SER1 4.0 30.4 1.0 O A:SER1 4.1 29.7 1.0 OD2 A:ASP2 4.1 29.9 1.0 OG A:SER1 4.2 30.3 1.0 CG A:ASP43 4.8 29.0 1.0 CG A:LYS3 4.9 28.0 1.0 CA A:LYS3 5.0 27.8 1.0

Copper binding site 2 out of 4 in the Design of Disulfide-Linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Design of Disulfide-Linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu1201 b:48.9 occ:1.00 OD1 B:ASP2 2.1 26.6 1.0 N B:ASP2 2.1 30.5 1.0 N B:SER1 2.2 31.5 1.0 C B:SER1 2.9 31.3 1.0 CA B:SER1 3.0 31.4 1.0 CG B:ASP2 3.0 29.7 1.0 CA B:ASP2 3.2 30.1 1.0 CB B:ASP2 3.4 30.1 1.0 N B:LYS3 3.6 29.8 1.0 OD1 B:ASP43 3.8 35.1 1.0 C B:ASP2 3.9 29.9 1.0 O B:SER1 4.1 31.4 1.0 OD2 B:ASP2 4.2 31.4 1.0 CG B:ASP43 4.2 35.8 1.0 CB B:SER1 4.4 31.7 1.0 OG B:SER1 4.6 31.8 1.0 CB B:ASP43 4.7 35.4 1.0 OD2 B:ASP43 4.7 37.6 1.0 CA B:LYS3 4.9 30.1 1.0

Copper binding site 3 out of 4 in the Design of Disulfide-Linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Design of Disulfide-Linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu2201 b:41.3 occ:1.00 N C:SER1 1.9 32.4 1.0 OD1 C:ASP2 2.1 32.4 1.0 N C:ASP2 2.2 32.7 1.0 CA C:SER1 2.9 32.5 1.0 C C:SER1 3.0 32.6 1.0 CG C:ASP2 3.1 32.5 1.0 CA C:ASP2 3.2 32.1 1.0 CB C:ASP2 3.3 32.3 1.0 N C:LYS3 3.8 31.4 1.0 O C:HOH2211 3.9 27.1 1.0 OD1 C:ASP43 3.9 23.5 1.0 OG C:SER1 4.0 33.5 1.0 C C:ASP2 4.0 31.8 1.0 CB C:SER1 4.1 32.8 1.0 O C:SER1 4.2 32.9 1.0 OD2 C:ASP2 4.2 32.2 1.0 CG C:ASP43 4.3 24.7 1.0 OD2 C:ASP43 4.5 21.8 1.0

Copper binding site 4 out of 4 in the Design of Disulfide-Linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Design of Disulfide-Linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu3201 b:46.6 occ:1.00 OD2 D:ASP2 1.6 36.5 1.0 N D:SER1 2.3 35.5 1.0 CG D:ASP2 2.5 34.8 1.0 C D:SER1 2.6 35.4 1.0 N D:ASP2 2.8 34.3 1.0 CA D:SER1 2.9 35.4 1.0 O D:SER1 3.0 36.5 1.0 CB D:ASP2 3.1 33.8 1.0 O D:HOH3204 3.4 16.1 1.0 CA D:ASP2 3.5 33.4 1.0 OD1 D:ASP2 3.5 35.3 1.0 OG D:SER1 4.1 35.2 1.0 CB D:SER1 4.1 35.7 1.0 N D:LYS3 4.2 31.3 1.0 C D:ASP2 4.4 32.5 1.0 OD1 D:ASP43 4.5 27.2 1.0 CG D:ASP43 4.8 28.6 1.0

M.Das, M.Kobayashi, Y.Yamada, S.Sreeramulu, C.Ramakrishnan, S.Wakatsuki, R.Kato, R.Varadarajan. Design of Disulfide-Linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts J.Mol.Biol. V. 372 1278 2007.
ISSN: ISSN 0022-2836
PubMed: 17727880
DOI: 10.1016/J.JMB.2007.07.033