Zinc in PDB 3ase: Crystal Structure of Zinc Myoglobin Soaked with RU3O Cluster

The structure of Crystal Structure of Zinc Myoglobin Soaked with RU3O Cluster, PDB code: 3ase was solved by T.Koshiyama, M.Shirai, T.Hikage, H.Tabe, K.Tanaka, S.Kitagawa, T.Ueno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.65 / 1.75
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	90.722, 90.722, 45.395, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / 23.2

The structure of Crystal Structure of Zinc Myoglobin Soaked with RU3O Cluster also contains other interesting chemical elements:

Ruthenium

(Ru)

6 atoms

The binding sites of Zinc atom in the Crystal Structure of Zinc Myoglobin Soaked with RU3O Cluster (pdb code 3ase). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Zinc Myoglobin Soaked with RU3O Cluster, PDB code: 3ase:

Zinc binding site 1 out of 1 in the Crystal Structure of Zinc Myoglobin Soaked with RU3O Cluster


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Zinc Myoglobin Soaked with RU3O Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn156 b:14.0 occ:1.00 ZN A:ZNH156 0.0 14.0 1.0 NA A:ZNH156 2.1 12.8 1.0 NB A:ZNH156 2.1 11.6 1.0 ND A:ZNH156 2.2 13.8 1.0 NE2 A:HIS93 2.2 12.1 1.0 NC A:ZNH156 2.2 12.4 1.0 CE1 A:HIS93 3.1 14.7 1.0 C4B A:ZNH156 3.1 10.8 1.0 C1A A:ZNH156 3.1 13.6 1.0 C4A A:ZNH156 3.1 12.3 1.0 C4D A:ZNH156 3.1 13.4 1.0 C1B A:ZNH156 3.1 12.2 1.0 C4C A:ZNH156 3.2 12.3 1.0 C1D A:ZNH156 3.2 12.7 1.0 C1C A:ZNH156 3.2 12.1 1.0 CD2 A:HIS93 3.2 12.2 1.0 CHA A:ZNH156 3.5 12.7 1.0 CHB A:ZNH156 3.5 11.9 1.0 CHC A:ZNH156 3.5 12.1 1.0 CHD A:ZNH156 3.5 11.3 1.0 O A:HOH204 4.0 20.0 1.0 ND1 A:HIS93 4.2 12.5 1.0 C3B A:ZNH156 4.3 11.5 1.0 CG A:HIS93 4.3 12.9 1.0 C2A A:ZNH156 4.3 13.6 1.0 C3A A:ZNH156 4.3 12.6 1.0 C3D A:ZNH156 4.3 13.7 1.0 C3C A:ZNH156 4.4 12.9 1.0 C2D A:ZNH156 4.4 14.2 1.0 CE1 A:HIS64 4.4 12.9 1.0 C2B A:ZNH156 4.4 12.2 1.0 C2C A:ZNH156 4.4 11.2 1.0 CG2 A:VAL68 4.5 8.3 1.0 NE2 A:HIS64 4.6 14.5 1.0 CD2 A:HIS97 4.9 16.3 1.0

T.Koshiyama, M.Shirai, T.Hikage, H.Tabe, K.Tanaka, S.Kitagawa, T.Ueno. Post-Crystal Engineering of Zinc-Substituted Myoglobin to Construct A Long-Lived Photoinduced Charge-Separation System Angew.Chem.Int.Ed.Engl. 2011.
ISSN: ESSN 1521-3773
PubMed: 21495132
DOI: 10.1002/ANIE.201008004