Ruthenium in PDB 1jze: Pseudomonas Aeruginosa Azurin Ru(Bpy)2(Im)(HIS83)

The structure of Pseudomonas Aeruginosa Azurin Ru(Bpy)2(Im)(HIS83), PDB code: 1jze was solved by B.R.Crane, A.J.Di Bilio, J.R.Winkler, H.B.Gray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.72 / 1.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	53.430, 61.760, 68.780, 90.00, 90.00, 90.00
R / Rfree (%)	24.9 / 27.4

The structure of Pseudomonas Aeruginosa Azurin Ru(Bpy)2(Im)(HIS83) also contains other interesting chemical elements:

Copper

(Cu)

2 atoms

The binding sites of Ruthenium atom in the Pseudomonas Aeruginosa Azurin Ru(Bpy)2(Im)(HIS83) (pdb code 1jze). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 2 binding sites of Ruthenium where determined in the Pseudomonas Aeruginosa Azurin Ru(Bpy)2(Im)(HIS83), PDB code: 1jze:
Jump to Ruthenium binding site number: 1; 2;

Ruthenium binding site 1 out of 2 in the Pseudomonas Aeruginosa Azurin Ru(Bpy)2(Im)(HIS83)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of Pseudomonas Aeruginosa Azurin Ru(Bpy)2(Im)(HIS83) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru903 b:30.9 occ:0.50 RU A:DRU903 0.0 30.9 0.5 RU A:LRU904 0.1 24.2 0.5 ND1 A:LRU904 2.0 23.7 0.5 N37 A:LRU904 2.0 23.9 0.5 N13 A:DRU903 2.0 31.4 0.5 N13 A:LRU904 2.1 26.4 0.5 ND1 A:DRU903 2.1 28.2 0.5 N2 A:DRU903 2.1 31.1 0.5 N26 A:DRU903 2.1 32.3 0.5 N37 A:DRU903 2.1 32.5 0.5 NE2 A:HIS83 2.1 25.8 1.0 N2 A:LRU904 2.1 26.5 0.5 N26 A:LRU904 2.2 24.6 0.5 C8 A:DRU903 2.9 31.6 0.5 C7 A:DRU903 2.9 30.9 0.5 C8 A:LRU904 2.9 27.6 0.5 C32 A:DRU903 2.9 32.8 0.5 C32 A:LRU904 2.9 23.5 0.5 C31 A:DRU903 2.9 33.0 0.5 CE1 A:LRU904 2.9 24.8 0.5 C7 A:LRU904 3.0 27.2 0.5 C31 A:LRU904 3.0 23.9 0.5 CG A:DRU903 3.0 26.8 0.5 C12 A:LRU904 3.0 27.7 0.5 C12 A:DRU903 3.0 31.7 0.5 C36 A:LRU904 3.0 22.7 0.5 C27 A:DRU903 3.1 33.0 0.5 CD2 A:HIS83 3.1 24.9 1.0 CG A:LRU904 3.1 23.3 0.5 CE1 A:HIS83 3.1 25.4 1.0 C36 A:DRU903 3.1 32.9 0.5 C3 A:DRU903 3.1 30.8 0.5 C3 A:LRU904 3.1 27.2 0.5 C27 A:LRU904 3.2 24.6 0.5 CE1 A:DRU903 3.2 28.3 0.5 NE2 A:LRU904 4.1 24.4 0.5 CD2 A:LRU904 4.2 24.3 0.5 ND1 A:HIS83 4.2 24.9 1.0 CG A:HIS83 4.2 22.6 1.0 C9 A:DRU903 4.2 31.9 0.5 C9 A:LRU904 4.2 28.2 0.5 CD2 A:DRU903 4.2 28.0 0.5 C6 A:DRU903 4.2 31.0 0.5 C33 A:LRU904 4.3 23.2 0.5 C33 A:DRU903 4.3 33.2 0.5 C30 A:DRU903 4.3 33.5 0.5 C11 A:LRU904 4.3 28.4 0.5 C6 A:LRU904 4.3 27.6 0.5 C11 A:DRU903 4.3 32.0 0.5 C35 A:LRU904 4.3 22.8 0.5 NE2 A:DRU903 4.3 27.9 0.5 C28 A:DRU903 4.3 33.7 0.5 C30 A:LRU904 4.4 24.3 0.5 C35 A:DRU903 4.4 33.7 0.5 C4 A:DRU903 4.4 31.3 0.5 C4 A:LRU904 4.4 28.2 0.5 C28 A:LRU904 4.5 24.8 0.5 C10 A:DRU903 4.8 31.7 0.5 C10 A:LRU904 4.8 28.5 0.5 C5 A:DRU903 4.8 30.9 0.5 C34 A:LRU904 4.8 23.2 0.5 C29 A:DRU903 4.8 33.8 0.5 C34 A:DRU903 4.9 33.3 0.5 C5 A:LRU904 4.9 27.7 0.5 O A:HOH349 5.0 25.4 1.0

Ruthenium binding site 2 out of 2 in the Pseudomonas Aeruginosa Azurin Ru(Bpy)2(Im)(HIS83)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of Pseudomonas Aeruginosa Azurin Ru(Bpy)2(Im)(HIS83) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru904 b:24.2 occ:0.50 RU A:LRU904 0.0 24.2 0.5 RU A:DRU903 0.1 30.9 0.5 ND1 A:DRU903 2.0 28.2 0.5 N37 A:DRU903 2.0 32.5 0.5 N13 A:LRU904 2.1 26.4 0.5 ND1 A:LRU904 2.1 23.7 0.5 N2 A:LRU904 2.1 26.5 0.5 N26 A:DRU903 2.1 32.3 0.5 NE2 A:HIS83 2.1 25.8 1.0 N37 A:LRU904 2.1 23.9 0.5 N26 A:LRU904 2.1 24.6 0.5 N13 A:DRU903 2.1 31.4 0.5 N2 A:DRU903 2.1 31.1 0.5 C32 A:DRU903 2.9 32.8 0.5 C8 A:LRU904 2.9 27.6 0.5 C31 A:DRU903 2.9 33.0 0.5 C7 A:LRU904 2.9 27.2 0.5 CG A:DRU903 2.9 26.8 0.5 C32 A:LRU904 2.9 23.5 0.5 C31 A:LRU904 3.0 23.9 0.5 C8 A:DRU903 3.0 31.6 0.5 C7 A:DRU903 3.0 30.9 0.5 CE1 A:LRU904 3.0 24.8 0.5 C36 A:DRU903 3.0 32.9 0.5 CE1 A:HIS83 3.0 25.4 1.0 C12 A:LRU904 3.0 27.7 0.5 C3 A:LRU904 3.1 27.2 0.5 C12 A:DRU903 3.1 31.7 0.5 C27 A:DRU903 3.1 33.0 0.5 CD2 A:HIS83 3.1 24.9 1.0 C36 A:LRU904 3.1 22.7 0.5 C27 A:LRU904 3.1 24.6 0.5 CG A:LRU904 3.1 23.3 0.5 C3 A:DRU903 3.1 30.8 0.5 CE1 A:DRU903 3.2 28.3 0.5 CD2 A:DRU903 4.2 28.0 0.5 ND1 A:HIS83 4.2 24.9 1.0 NE2 A:LRU904 4.2 24.4 0.5 C9 A:LRU904 4.2 28.2 0.5 C33 A:DRU903 4.2 33.2 0.5 CG A:HIS83 4.2 22.6 1.0 CD2 A:LRU904 4.2 24.3 0.5 C6 A:LRU904 4.3 27.6 0.5 C30 A:DRU903 4.3 33.5 0.5 NE2 A:DRU903 4.3 27.9 0.5 C33 A:LRU904 4.3 23.2 0.5 C11 A:LRU904 4.3 28.4 0.5 C9 A:DRU903 4.3 31.9 0.5 C35 A:DRU903 4.3 33.7 0.5 C6 A:DRU903 4.3 31.0 0.5 C30 A:LRU904 4.3 24.3 0.5 C28 A:DRU903 4.4 33.7 0.5 C4 A:LRU904 4.4 28.2 0.5 C11 A:DRU903 4.4 32.0 0.5 C35 A:LRU904 4.4 22.8 0.5 C4 A:DRU903 4.4 31.3 0.5 C28 A:LRU904 4.5 24.8 0.5 C10 A:LRU904 4.8 28.5 0.5 C34 A:DRU903 4.8 33.3 0.5 C5 A:LRU904 4.8 27.7 0.5 C29 A:DRU903 4.8 33.8 0.5 C10 A:DRU903 4.9 31.7 0.5 C34 A:LRU904 4.9 23.2 0.5 C5 A:DRU903 4.9 30.9 0.5 C29 A:LRU904 5.0 24.1 0.5 O A:HOH349 5.0 25.4 1.0

B.R.Crane, A.J.Di Bilio, J.R.Winkler, H.B.Gray. Electron Tunneling in Single Crystals of Pseudomonas Aeruginosa Azurins. J.Am.Chem.Soc. V. 123 11623 2001.
ISSN: ISSN 0002-7863
PubMed: 11716717
DOI: 10.1021/JA0115870