Iridium in PDB 6s50: Scdsav(Sark)MV2 - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes

The structure of Scdsav(Sark)MV2 - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes, PDB code: 6s50 was solved by J.G.Rebelein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.99 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	183.879, 57.771, 57.645, 90.00, 108.33, 90.00
R / Rfree (%)	18.6 / 20.8

The structure of Scdsav(Sark)MV2 - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iridium atom in the Scdsav(Sark)MV2 - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes (pdb code 6s50). This binding sites where shown within 5.0 Angstroms radius around Iridium atom.
In total 4 binding sites of Iridium where determined in the Scdsav(Sark)MV2 - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes, PDB code: 6s50:
Jump to Iridium binding site number: 1; 2; 3; 4;

Iridium binding site 1 out of 4 in the Scdsav(Sark)MV2 - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 1 of Scdsav(Sark)MV2 - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes within 5.0Å range: probe atom residue distance (Å) B Occ A:Ir401 b:90.6 occ:0.60 IR1 A:4IR401 0.0 90.6 0.6 N5 A:4IR401 2.1 64.3 0.6 N4 A:4IR401 2.1 60.8 0.6 C17 A:4IR401 2.1 69.9 0.6 C18 A:4IR401 2.1 71.6 0.6 C21 A:4IR401 2.1 72.8 0.6 C19 A:4IR401 2.1 69.1 0.6 C20 A:4IR401 2.1 70.3 0.6 CL1 A:4IR401 2.5 71.4 0.6 C24 B:4IR402 2.7 59.4 0.4 C28 A:4IR401 3.0 52.6 0.6 C27 A:4IR401 3.0 51.4 0.6 C22 A:4IR401 3.2 57.0 0.6 C23 A:4IR401 3.2 62.6 0.6 C26 A:4IR401 3.2 56.2 0.6 S2 A:4IR401 3.2 54.6 0.6 C24 A:4IR401 3.3 69.0 0.6 C25 A:4IR401 3.3 67.0 0.6 O3 A:4IR401 3.3 54.2 0.6 C19 B:4IR402 4.0 59.9 0.4 O4 A:4IR401 4.1 53.4 0.6 C16 A:4IR401 4.4 48.6 0.6 C25 B:4IR402 4.7 52.6 0.4 O A:ALA121 4.7 34.0 1.0 C20 B:4IR402 4.7 61.7 0.4 C13 A:4IR401 4.8 43.7 0.6 O4 B:4IR402 4.8 42.6 0.4

Iridium binding site 2 out of 4 in the Scdsav(Sark)MV2 - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 2 of Scdsav(Sark)MV2 - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes within 5.0Å range: probe atom residue distance (Å) B Occ A:Ir402 b:73.6 occ:0.40 IR1 A:4IR402 0.0 73.6 0.4 N5 A:4IR402 2.0 52.9 0.4 N4 A:4IR402 2.0 56.0 0.4 C21 A:4IR402 2.0 64.8 0.4 C17 A:4IR402 2.1 64.6 0.4 C20 A:4IR402 2.1 64.0 0.4 C18 A:4IR402 2.1 64.8 0.4 C19 A:4IR402 2.1 63.8 0.4 CL1 A:4IR402 2.5 66.0 0.4 C27 A:4IR402 2.8 52.0 0.4 C28 A:4IR402 2.8 54.2 0.4 S2 A:4IR402 3.1 55.3 0.4 C26 A:4IR402 3.1 64.9 0.4 C22 A:4IR402 3.2 58.6 0.4 C25 A:4IR402 3.2 63.0 0.4 C24 A:4IR402 3.3 60.4 0.4 C23 A:4IR402 3.3 61.7 0.4 O3 A:4IR402 3.3 52.5 0.4 O4 A:4IR402 3.3 45.2 0.4 C16 A:4IR402 4.5 42.8 0.4 O A:LYS305 4.7 32.9 1.0 CL1 B:4IR401 4.8 83.8 0.6 N5 B:4IR401 4.8 70.0 0.6

Iridium binding site 3 out of 4 in the Scdsav(Sark)MV2 - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 3 of Scdsav(Sark)MV2 - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes within 5.0Å range: probe atom residue distance (Å) B Occ B:Ir401 b:89.9 occ:0.60 IR1 B:4IR401 0.0 89.9 0.6 N5 B:4IR401 2.0 70.0 0.6 N4 B:4IR401 2.1 64.7 0.6 C18 B:4IR401 2.1 72.1 0.6 C19 B:4IR401 2.1 70.8 0.6 C20 B:4IR401 2.1 75.4 0.6 C21 B:4IR401 2.1 77.1 0.6 C17 B:4IR401 2.1 78.1 0.6 CL1 B:4IR401 2.4 83.8 0.6 C28 B:4IR401 2.8 59.4 0.6 C27 B:4IR401 3.0 52.8 0.6 C23 B:4IR401 3.2 60.0 0.6 C24 B:4IR401 3.2 61.1 0.6 C25 B:4IR401 3.2 67.7 0.6 S2 B:4IR401 3.2 58.3 0.6 C26 B:4IR401 3.2 72.2 0.6 C22 B:4IR401 3.2 66.9 0.6 O3 B:4IR401 3.3 57.9 0.6 C26 A:4IR402 3.4 64.9 0.4 C25 A:4IR402 4.0 63.0 0.4 O4 B:4IR401 4.0 51.3 0.6 C21 A:4IR402 4.3 64.8 0.4 C20 A:4IR402 4.5 64.0 0.4 C16 B:4IR401 4.6 48.1 0.6 C13 B:4IR401 5.0 44.7 0.6 O B:ALA121 5.0 34.3 1.0

Iridium binding site 4 out of 4 in the Scdsav(Sark)MV2 - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 4 of Scdsav(Sark)MV2 - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes within 5.0Å range: probe atom residue distance (Å) B Occ B:Ir402 b:68.8 occ:0.40 IR1 B:4IR402 0.0 68.8 0.4 N5 B:4IR402 2.0 58.6 0.4 C21 B:4IR402 2.0 57.9 0.4 N4 B:4IR402 2.1 51.0 0.4 C20 B:4IR402 2.1 61.7 0.4 C17 B:4IR402 2.1 60.6 0.4 C19 B:4IR402 2.1 59.9 0.4 C18 B:4IR402 2.1 60.5 0.4 CL1 B:4IR402 2.4 57.1 0.4 C27 B:4IR402 2.7 49.6 0.4 C28 B:4IR402 2.7 54.3 0.4 O3 B:4IR402 3.0 50.6 0.4 S2 B:4IR402 3.1 48.0 0.4 C26 B:4IR402 3.1 50.9 0.4 C25 B:4IR402 3.1 52.6 0.4 C22 B:4IR402 3.1 58.5 0.4 C23 B:4IR402 3.2 59.8 0.4 C24 B:4IR402 3.2 59.4 0.4 O4 B:4IR402 3.8 42.6 0.4 C16 B:4IR402 4.4 42.5 0.4 O B:LYS305 4.8 31.6 1.0 O4 A:4IR401 4.8 53.4 0.6 C13 B:4IR402 4.8 44.0 0.4

S.Wu, Y.Zhou, J.G.Rebelein, M.Kuhn, H.Mallin, J.Zhao, N.V.Igareta, T.R.Ward. Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes. J.Am.Chem.Soc. V. 141 15869 2019.
ISSN: ESSN 1520-5126
PubMed: 31509711
DOI: 10.1021/JACS.9B06923