Iridium in PDB 6s4q: Scdsav(Sask) - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes

The structure of Scdsav(Sask) - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes, PDB code: 6s4q 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)	43.82 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	184.219, 57.201, 57.201, 90.00, 108.09, 90.00
R / Rfree (%)	19.5 / 23.1

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

Chlorine

(Cl)

8 atoms

The binding sites of Iridium atom in the Scdsav(Sask) - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes (pdb code 6s4q). This binding sites where shown within 5.0 Angstroms radius around Iridium atom.
In total 8 binding sites of Iridium where determined in the Scdsav(Sask) - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes, PDB code: 6s4q:
Jump to Iridium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iridium binding site 1 out of 8 in the Scdsav(Sask) - 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(Sask) - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes within 5.0Å range: probe atom residue distance (Å) B Occ A:Ir401 b:45.6 occ:0.50 IR1 A:4IR401 0.0 45.6 0.5 N5 A:4IR401 2.0 47.6 0.5 N4 A:4IR401 2.1 44.7 0.5 C18 A:4IR401 2.1 47.8 0.5 C17 A:4IR401 2.1 48.1 0.5 C19 A:4IR401 2.1 49.0 0.5 C21 A:4IR401 2.1 49.2 0.5 C20 A:4IR401 2.1 47.3 0.5 CL1 A:4IR401 2.4 57.3 0.5 C28 A:4IR401 2.8 37.5 0.5 C27 A:4IR401 3.0 40.0 0.5 O4 A:4IR401 3.0 39.1 0.5 S2 A:4IR401 3.1 40.0 0.5 CL1 B:4IR402 3.2 51.2 0.5 C23 A:4IR401 3.2 49.0 0.5 C22 A:4IR401 3.2 50.0 0.5 C24 A:4IR401 3.2 51.5 0.5 C26 A:4IR401 3.2 44.5 0.5 C25 A:4IR401 3.2 48.0 0.5 O3 A:4IR401 4.1 39.4 0.5 C16 A:4IR401 4.4 35.7 0.5 O4 B:4IR402 4.6 35.4 0.5 O A:ALA121 4.7 27.3 1.0 O3 A:4IR401 4.8 46.3 0.5 C13 A:4IR401 4.8 31.6 0.5

Iridium binding site 2 out of 8 in the Scdsav(Sask) - 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(Sask) - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes within 5.0Å range: probe atom residue distance (Å) B Occ A:Ir401 b:41.7 occ:0.50 IR1 A:4IR401 0.0 41.7 0.5 N4 A:4IR401 2.0 43.8 0.5 N5 A:4IR401 2.1 45.3 0.5 C19 A:4IR401 2.1 48.1 0.5 C18 A:4IR401 2.1 47.0 0.5 C20 A:4IR401 2.1 48.2 0.5 C17 A:4IR401 2.1 48.1 0.5 C21 A:4IR401 2.1 45.8 0.5 CL1 A:4IR401 2.4 52.0 0.5 O4 A:4IR401 2.8 45.7 0.5 C28 A:4IR401 2.9 38.7 0.5 C27 A:4IR401 2.9 39.3 0.5 S2 A:4IR401 3.0 44.7 0.5 C24 A:4IR401 3.1 48.0 0.5 C23 A:4IR401 3.2 46.5 0.5 C25 A:4IR401 3.2 43.6 0.5 C22 A:4IR401 3.2 48.0 0.5 C26 A:4IR401 3.2 46.5 0.5 O3 A:4IR401 3.8 46.3 0.5 C16 A:4IR401 4.3 41.4 0.5 C23 A:4IR401 4.8 49.0 0.5 CD2 A:HIS87 4.9 46.0 1.0

Iridium binding site 3 out of 8 in the Scdsav(Sask) - 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(Sask) - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes within 5.0Å range: probe atom residue distance (Å) B Occ A:Ir402 b:44.9 occ:0.50 IR1 A:4IR402 0.0 44.9 0.5 N5 A:4IR402 2.0 45.3 0.5 N4 A:4IR402 2.1 42.0 0.5 C19 A:4IR402 2.1 43.3 0.5 C20 A:4IR402 2.1 44.9 0.5 C21 A:4IR402 2.1 44.3 0.5 C18 A:4IR402 2.1 46.1 0.5 C17 A:4IR402 2.1 47.2 0.5 CL1 A:4IR402 2.4 56.8 0.5 C28 A:4IR402 2.8 36.5 0.5 O4 A:4IR402 3.0 35.3 0.5 C27 A:4IR402 3.0 38.8 0.5 S2 A:4IR402 3.0 39.9 0.5 C24 A:4IR402 3.1 46.3 0.5 C25 A:4IR402 3.2 45.8 0.5 C26 A:4IR402 3.2 45.0 0.5 C23 A:4IR402 3.2 43.1 0.5 C22 A:4IR402 3.2 45.6 0.5 CL1 B:4IR401 3.3 54.1 0.5 O3 A:4IR402 3.7 35.4 0.5 O4 A:4IR402 4.2 50.4 0.5 C16 A:4IR402 4.5 32.4 0.5 O3 B:4IR401 4.6 35.5 0.5 O A:LYS305 4.7 25.2 1.0 C15 A:4IR402 4.8 57.7 0.5 C13 A:4IR402 4.9 30.4 0.5

Iridium binding site 4 out of 8 in the Scdsav(Sask) - 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(Sask) - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes within 5.0Å range: probe atom residue distance (Å) B Occ A:Ir402 b:42.1 occ:0.50 IR1 A:4IR402 0.0 42.1 0.5 N4 A:4IR402 2.0 45.4 0.5 N5 A:4IR402 2.0 44.3 0.5 C18 A:4IR402 2.1 47.8 0.5 C19 A:4IR402 2.1 48.2 0.5 C17 A:4IR402 2.1 48.0 0.5 C20 A:4IR402 2.1 48.4 0.5 C21 A:4IR402 2.1 46.5 0.5 CL1 A:4IR402 2.4 47.6 0.5 C27 A:4IR402 2.9 40.2 0.5 C28 A:4IR402 2.9 39.6 0.5 S2 A:4IR402 3.1 49.6 0.5 C23 A:4IR402 3.1 47.2 0.5 C24 A:4IR402 3.1 50.0 0.5 O3 A:4IR402 3.2 44.7 0.5 C22 A:4IR402 3.2 48.4 0.5 C25 A:4IR402 3.2 42.2 0.5 C26 A:4IR402 3.2 49.2 0.5 O4 A:4IR402 3.6 50.4 0.5 C16 A:4IR402 4.4 52.5 0.5 C25 A:4IR402 4.4 45.8 0.5 C13 A:4IR402 5.0 54.5 0.5

Iridium binding site 5 out of 8 in the Scdsav(Sask) - 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 5 of Scdsav(Sask) - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes within 5.0Å range: probe atom residue distance (Å) B Occ B:Ir401 b:46.4 occ:0.50 IR1 B:4IR401 0.0 46.4 0.5 N5 B:4IR401 2.1 44.6 0.5 N4 B:4IR401 2.1 41.6 0.5 C19 B:4IR401 2.1 46.5 0.5 C18 B:4IR401 2.1 47.1 0.5 C20 B:4IR401 2.1 47.5 0.5 C17 B:4IR401 2.1 48.5 0.5 C21 B:4IR401 2.1 46.1 0.5 CL1 B:4IR401 2.4 54.1 0.5 C28 B:4IR401 2.9 36.5 0.5 C27 B:4IR401 3.0 37.8 0.5 O4 B:4IR401 3.1 35.4 0.5 S2 B:4IR401 3.1 40.3 0.5 C24 B:4IR401 3.2 47.3 0.5 C23 B:4IR401 3.2 51.0 0.5 C25 B:4IR401 3.2 49.8 0.5 C22 B:4IR401 3.2 44.1 0.5 C26 B:4IR401 3.2 47.7 0.5 O3 B:4IR401 3.8 35.5 0.5 CL1 A:4IR402 4.0 56.8 0.5 C16 B:4IR401 4.5 33.1 0.5 O3 B:4IR401 4.6 54.4 0.5 O3 A:4IR402 4.6 35.4 0.5 O B:ALA121 4.7 28.1 1.0 C13 B:4IR401 4.9 30.8 0.5 N5 A:4IR402 5.0 45.3 0.5

Iridium binding site 6 out of 8 in the Scdsav(Sask) - 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 6 of Scdsav(Sask) - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes within 5.0Å range: probe atom residue distance (Å) B Occ B:Ir401 b:41.6 occ:0.50 IR1 B:4IR401 0.0 41.6 0.5 N5 B:4IR401 2.0 45.9 0.5 N4 B:4IR401 2.0 47.6 0.5 C19 B:4IR401 2.1 48.5 0.5 C18 B:4IR401 2.1 48.0 0.5 C17 B:4IR401 2.1 49.1 0.5 C20 B:4IR401 2.1 49.3 0.5 C21 B:4IR401 2.1 46.8 0.5 CL1 B:4IR401 2.4 51.6 0.5 O4 B:4IR401 2.8 53.9 0.5 C28 B:4IR401 2.9 40.2 0.5 C27 B:4IR401 2.9 42.5 0.5 S2 B:4IR401 3.0 50.8 0.5 C23 B:4IR401 3.2 46.6 0.5 C24 B:4IR401 3.2 48.5 0.5 C25 B:4IR401 3.2 45.1 0.5 C22 B:4IR401 3.2 49.5 0.5 C26 B:4IR401 3.2 48.5 0.5 O3 B:4IR401 3.8 54.4 0.5 C16 B:4IR401 4.3 47.3 0.5 CD2 B:HIS87 4.8 49.0 1.0 C15 B:4IR401 4.9 44.4 0.5 C25 B:4IR401 4.9 49.8 0.5

Iridium binding site 7 out of 8 in the Scdsav(Sask) - 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 7 of Scdsav(Sask) - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes within 5.0Å range: probe atom residue distance (Å) B Occ B:Ir402 b:43.5 occ:0.50 IR1 B:4IR402 0.0 43.5 0.5 N5 B:4IR402 2.1 42.3 0.5 N4 B:4IR402 2.1 41.3 0.5 C19 B:4IR402 2.1 44.8 0.5 C18 B:4IR402 2.1 44.1 0.5 C17 B:4IR402 2.1 46.6 0.5 C20 B:4IR402 2.1 44.5 0.5 C21 B:4IR402 2.1 43.5 0.5 CL1 B:4IR402 2.4 51.2 0.5 C28 B:4IR402 2.9 33.9 0.5 C27 B:4IR402 3.0 37.5 0.5 O3 B:4IR402 3.0 36.8 0.5 S2 B:4IR402 3.1 39.2 0.5 C24 B:4IR402 3.2 48.6 0.5 C23 B:4IR402 3.2 47.3 0.5 C22 B:4IR402 3.2 41.8 0.5 C25 B:4IR402 3.2 49.3 0.5 C26 B:4IR402 3.2 45.5 0.5 O4 B:4IR402 3.7 35.4 0.5 C25 A:4IR401 4.5 48.0 0.5 C16 B:4IR402 4.5 33.7 0.5 O3 A:4IR401 4.5 39.4 0.5 O B:LYS305 4.7 29.1 1.0 N4 A:4IR401 4.9 44.7 0.5 C15 B:4IR402 4.9 30.1 0.5

Iridium binding site 8 out of 8 in the Scdsav(Sask) - 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 8 of Scdsav(Sask) - Engineering Single-Chain Dimeric Streptavidin As Host For Artificial Metalloenzymes within 5.0Å range: probe atom residue distance (Å) B Occ B:Ir402 b:41.5 occ:0.50 IR1 B:4IR402 0.0 41.5 0.5 N4 B:4IR402 2.0 43.7 0.5 N5 B:4IR402 2.1 43.2 0.5 C19 B:4IR402 2.1 47.1 0.5 C18 B:4IR402 2.1 46.5 0.5 C17 B:4IR402 2.1 48.4 0.5 C20 B:4IR402 2.1 48.0 0.5 C21 B:4IR402 2.1 45.6 0.5 CL1 B:4IR402 2.4 48.4 0.5 O4 B:4IR402 2.6 45.6 0.5 C28 B:4IR402 2.9 36.8 0.5 S2 B:4IR402 2.9 45.9 0.5 C27 B:4IR402 2.9 39.3 0.5 C23 B:4IR402 3.2 45.4 0.5 C24 B:4IR402 3.2 50.2 0.5 C22 B:4IR402 3.2 47.6 0.5 C25 B:4IR402 3.2 45.6 0.5 C26 B:4IR402 3.2 47.4 0.5 O3 B:4IR402 3.6 46.1 0.5 C16 B:4IR402 4.2 43.4 0.5 CD2 B:HIS271 4.9 46.5 1.0 C13 B:4IR402 4.9 40.9 0.5

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