Copper in PDB 1xtm: Crystal Structure of the Double Mutant Y88H-P104H of A Sod-Like Protein From Bacillus Subtilis.

The structure of Crystal Structure of the Double Mutant Y88H-P104H of A Sod-Like Protein From Bacillus Subtilis., PDB code: 1xtm was solved by V.Calderone, S.Mangani, L.Banci, M.Benvenuti, I.Bertini, A.Fantoni, M.S.Viezzoli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.60 / 1.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	52.462, 104.350, 58.756, 90.00, 90.00, 90.00
R / Rfree (%)	25.3 / 26.6

The structure of Crystal Structure of the Double Mutant Y88H-P104H of A Sod-Like Protein From Bacillus Subtilis. also contains other interesting chemical elements:

Zinc

(Zn)

5 atoms

The binding sites of Copper atom in the Crystal Structure of the Double Mutant Y88H-P104H of A Sod-Like Protein From Bacillus Subtilis. (pdb code 1xtm). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Crystal Structure of the Double Mutant Y88H-P104H of A Sod-Like Protein From Bacillus Subtilis., PDB code: 1xtm:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Crystal Structure of the Double Mutant Y88H-P104H of A Sod-Like Protein From Bacillus Subtilis.


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 the Double Mutant Y88H-P104H of A Sod-Like Protein From Bacillus Subtilis. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu500 b:23.3 occ:1.00 NE2 B:HIS166 2.0 15.8 1.0 ND1 B:HIS86 2.1 14.7 1.0 NE2 B:HIS88 2.1 16.3 1.0 O B:HOH508 2.8 21.3 1.0 CE1 B:HIS88 2.9 13.1 1.0 CE1 B:HIS166 3.0 15.2 1.0 CE1 B:HIS86 3.0 19.1 1.0 CD2 B:HIS166 3.0 12.3 1.0 CG B:HIS86 3.1 13.9 1.0 NE2 B:HIS104 3.2 18.5 1.0 CD2 B:HIS88 3.2 11.0 1.0 CB B:HIS86 3.4 11.3 1.0 CD2 B:HIS104 3.6 15.6 1.0 ND1 B:HIS88 4.0 12.6 1.0 ND1 B:HIS166 4.1 12.4 1.0 CG B:HIS166 4.1 9.3 1.0 NE2 B:HIS86 4.1 17.0 1.0 CD2 B:HIS86 4.2 16.1 1.0 CE1 B:HIS104 4.2 19.3 1.0 CG B:HIS88 4.2 11.2 1.0 CG2 B:ILE164 4.4 13.1 1.0 CB B:ILE164 4.5 9.2 1.0 CA B:HIS86 4.6 9.4 1.0 N B:HIS86 4.7 8.9 1.0 CG B:HIS104 4.8 15.5 1.0 O B:ILE164 4.8 11.9 1.0 O B:HIS86 5.0 10.0 1.0

Copper binding site 2 out of 2 in the Crystal Structure of the Double Mutant Y88H-P104H of A Sod-Like Protein From Bacillus Subtilis.


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 the Double Mutant Y88H-P104H of A Sod-Like Protein From Bacillus Subtilis. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu503 b:42.0 occ:1.00 NE2 A:HIS166 1.9 19.3 1.0 NE2 A:HIS88 2.2 33.8 1.0 ND1 A:HIS86 2.4 28.9 1.0 NE2 A:HIS104 2.5 33.5 1.0 CE1 A:HIS166 2.8 25.6 1.0 CD2 A:HIS166 2.9 26.4 1.0 CE1 A:HIS88 3.0 35.0 1.0 CG A:HIS86 3.2 27.1 1.0 CD2 A:HIS104 3.2 33.6 1.0 O A:HOH531 3.2 44.7 1.0 CE1 A:HIS86 3.2 27.9 1.0 CD2 A:HIS88 3.4 34.3 1.0 CE1 A:HIS104 3.4 31.6 1.0 CB A:HIS86 3.5 26.1 1.0 ND1 A:HIS166 3.9 25.2 1.0 CG A:HIS166 4.0 26.0 1.0 ND1 A:HIS88 4.2 35.0 1.0 CD2 A:HIS86 4.2 27.9 1.0 NE2 A:HIS86 4.2 28.0 1.0 CG A:HIS104 4.3 34.8 1.0 ND1 A:HIS104 4.4 32.1 1.0 CG A:HIS88 4.4 33.3 1.0 N A:HIS86 4.4 24.8 1.0 CA A:HIS86 4.5 25.4 1.0 CB A:ILE164 4.6 27.9 1.0 CG2 A:ILE164 4.6 28.3 1.0 O A:HOH541 4.7 43.6 1.0 O A:ILE164 4.9 27.0 1.0 O A:HIS86 4.9 26.7 1.0 C A:HIS86 5.0 25.5 1.0

L.Banci, M.Benvenuti, I.Bertini, D.E.Cabelli, V.Calderone, A.Fantoni, S.Mangani, M.Migliardi, M.S.Viezzoli. From An Inactive Prokaryotic Sod Homologue to An Active Protein Through Site-Directed Mutagenesis. J.Am.Chem.Soc. V. 127 13287 2005.
ISSN: ISSN 0002-7863
PubMed: 16173759
DOI: 10.1021/JA052790O