Chlorine 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:

Iridium

(Ir)

8 atoms

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

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl401 b:57.3 occ:0.50 CL1 A:4IR401 0.0 57.3 0.5 IR1 A:4IR401 2.4 45.6 0.5 O4 B:4IR402 2.7 35.4 0.5 C26 A:4IR401 2.8 44.5 0.5 C21 A:4IR401 3.0 49.2 0.5 C28 A:4IR401 3.0 37.5 0.5 N5 A:4IR401 3.2 47.6 0.5 CL1 B:4IR402 3.2 51.2 0.5 O A:ALA121 3.3 27.3 1.0 N4 A:4IR401 3.4 44.7 0.5 C17 A:4IR401 3.4 48.1 0.5 C27 A:4IR401 3.6 40.0 0.5 C20 A:4IR401 3.6 47.3 0.5 C22 A:4IR401 3.7 50.0 0.5 S2 B:4IR402 4.1 39.2 0.5 CB A:ALA121 4.1 28.1 1.0 C18 A:4IR401 4.2 47.8 0.5 C27 B:4IR402 4.2 37.5 0.5 C25 A:4IR401 4.3 48.0 0.5 C19 A:4IR401 4.3 49.0 0.5 C A:ALA121 4.4 27.0 1.0 N4 B:4IR402 4.5 41.3 0.5 CD2 B:LEU308 4.6 26.7 1.0 CD1 B:LEU308 4.7 26.6 1.0 CA A:ALA121 4.8 27.4 1.0 O3 B:4IR402 4.8 36.8 0.5 S2 A:4IR401 4.9 40.0 0.5

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl401 b:52.0 occ:0.50 CL1 A:4IR401 0.0 52.0 0.5 IR1 A:4IR401 2.4 41.7 0.5 C26 A:4IR401 2.9 46.5 0.5 C21 A:4IR401 3.0 45.8 0.5 N4 A:4IR401 3.1 43.8 0.5 N5 A:4IR401 3.4 45.3 0.5 C20 A:4IR401 3.5 48.2 0.5 C17 A:4IR401 3.6 48.1 0.5 C28 A:4IR401 3.8 38.7 0.5 C25 A:4IR401 3.9 43.6 0.5 C27 A:4IR401 4.0 39.3 0.5 C22 A:4IR401 4.0 48.0 0.5 C23 A:4IR401 4.1 49.0 0.5 C19 A:4IR401 4.2 48.1 0.5 C18 A:4IR401 4.3 47.0 0.5 S2 A:4IR401 4.3 44.7 0.5 O3 A:4IR401 4.5 46.3 0.5 O4 A:4IR401 4.6 45.7 0.5 C18 A:4IR401 4.7 47.8 0.5

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl402 b:56.8 occ:0.50 CL1 A:4IR402 0.0 56.8 0.5 CL1 B:4IR401 1.8 54.1 0.5 IR1 A:4IR402 2.4 44.9 0.5 O4 A:4IR402 2.4 35.3 0.5 C26 A:4IR402 2.7 45.0 0.5 C21 A:4IR402 2.9 44.3 0.5 O3 A:4IR402 2.9 35.4 0.5 S2 A:4IR402 3.0 39.9 0.5 C26 B:4IR401 3.0 47.7 0.5 N4 A:4IR402 3.2 42.0 0.5 C17 A:4IR402 3.4 47.2 0.5 N5 A:4IR402 3.5 45.3 0.5 C20 A:4IR402 3.5 44.9 0.5 C21 B:4IR401 3.8 46.1 0.5 C22 A:4IR402 3.9 45.6 0.5 IR1 B:4IR401 4.0 46.4 0.5 C22 B:4IR401 4.1 44.1 0.5 C27 A:4IR402 4.1 38.8 0.5 C25 A:4IR402 4.1 45.8 0.5 C18 A:4IR402 4.2 46.1 0.5 C17 B:4IR401 4.2 48.5 0.5 C19 A:4IR402 4.3 43.3 0.5 C28 A:4IR402 4.4 36.5 0.5 O4 A:4IR402 4.5 50.4 0.5 C16 A:4IR402 4.5 32.4 0.5 O3 B:4IR401 4.6 35.5 0.5 N5 B:4IR401 4.6 44.6 0.5 C20 B:4IR401 4.8 47.5 0.5

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl402 b:47.6 occ:0.50 CL1 A:4IR402 0.0 47.6 0.5 IR1 A:4IR402 2.4 42.1 0.5 C26 A:4IR402 2.7 49.2 0.5 C21 A:4IR402 2.9 46.5 0.5 N4 A:4IR402 3.3 45.4 0.5 N5 A:4IR402 3.4 44.3 0.5 C27 A:4IR402 3.4 40.2 0.5 C20 A:4IR402 3.5 48.4 0.5 C17 A:4IR402 3.5 48.0 0.5 C28 A:4IR402 3.6 39.6 0.5 O4 A:4IR402 3.8 50.4 0.5 C22 A:4IR402 3.9 48.4 0.5 C25 A:4IR402 3.9 42.2 0.5 C25 A:4IR402 3.9 45.8 0.5 S2 A:4IR402 4.1 49.6 0.5 C19 A:4IR402 4.2 48.2 0.5 C18 A:4IR402 4.2 47.8 0.5 C20 A:4IR402 4.5 44.9 0.5 O3 A:4IR402 4.6 44.7 0.5

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl401 b:54.1 occ:0.50 CL1 B:4IR401 0.0 54.1 0.5 CL1 A:4IR402 1.8 56.8 0.5 IR1 B:4IR401 2.4 46.4 0.5 C26 B:4IR401 2.8 47.7 0.5 C21 B:4IR401 2.9 46.1 0.5 O3 B:4IR401 3.1 35.5 0.5 N5 A:4IR402 3.2 45.3 0.5 N4 B:4IR401 3.2 41.6 0.5 IR1 A:4IR402 3.3 44.9 0.5 N5 B:4IR401 3.3 44.6 0.5 C17 B:4IR401 3.4 48.5 0.5 O4 B:4IR401 3.4 35.4 0.5 S2 B:4IR401 3.4 40.3 0.5 C20 B:4IR401 3.5 47.5 0.5 O3 A:4IR402 3.6 35.4 0.5 C27 B:4IR401 3.8 37.8 0.5 C22 B:4IR401 3.8 44.1 0.5 C22 A:4IR402 3.9 45.6 0.5 C17 A:4IR402 4.0 47.2 0.5 N4 A:4IR402 4.1 42.0 0.5 O4 A:4IR402 4.1 35.3 0.5 C26 A:4IR402 4.1 45.0 0.5 C25 B:4IR401 4.1 49.8 0.5 S2 A:4IR402 4.1 39.9 0.5 C21 A:4IR402 4.1 44.3 0.5 C28 B:4IR401 4.2 36.5 0.5 C18 B:4IR401 4.2 47.1 0.5 C19 B:4IR401 4.3 46.5 0.5 C28 A:4IR402 4.3 36.5 0.5 C27 A:4IR402 4.4 38.8 0.5 C18 A:4IR402 4.8 46.1 0.5 C20 A:4IR402 4.9 44.9 0.5

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl401 b:51.6 occ:0.50 CL1 B:4IR401 0.0 51.6 0.5 IR1 B:4IR401 2.4 41.6 0.5 C26 B:4IR401 2.7 48.5 0.5 C21 B:4IR401 2.9 46.8 0.5 N4 B:4IR401 3.1 47.6 0.5 N5 B:4IR401 3.4 45.9 0.5 C20 B:4IR401 3.4 49.3 0.5 C17 B:4IR401 3.5 49.1 0.5 C28 B:4IR401 3.9 40.2 0.5 C25 B:4IR401 3.9 45.1 0.5 C22 B:4IR401 4.0 49.5 0.5 C27 B:4IR401 4.1 42.5 0.5 C19 B:4IR401 4.2 48.5 0.5 S2 B:4IR401 4.2 50.8 0.5 C18 B:4IR401 4.3 48.0 0.5 O3 B:4IR401 4.3 54.4 0.5 C24 B:4IR401 4.4 47.3 0.5 C25 B:4IR401 4.4 49.8 0.5 O4 B:4IR401 4.5 53.9 0.5 C20 B:4IR401 4.8 47.5 0.5 C19 B:4IR401 4.8 46.5 0.5

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl402 b:51.2 occ:0.50 CL1 B:4IR402 0.0 51.2 0.5 IR1 B:4IR402 2.4 43.5 0.5 C25 A:4IR401 2.6 48.0 0.5 C26 B:4IR402 2.8 45.5 0.5 C21 B:4IR402 3.0 43.5 0.5 N4 A:4IR401 3.0 44.7 0.5 O4 B:4IR402 3.1 35.4 0.5 C20 A:4IR401 3.1 47.3 0.5 IR1 A:4IR401 3.2 45.6 0.5 CL1 A:4IR401 3.2 57.3 0.5 N4 B:4IR402 3.2 41.3 0.5 N5 B:4IR402 3.3 42.3 0.5 C17 B:4IR402 3.4 46.6 0.5 S2 B:4IR402 3.4 39.2 0.5 O3 B:4IR402 3.5 36.8 0.5 O3 A:4IR401 3.5 39.4 0.5 C20 B:4IR402 3.6 44.5 0.5 C27 B:4IR402 3.7 37.5 0.5 C21 A:4IR401 3.7 49.2 0.5 S2 A:4IR401 3.8 40.0 0.5 C22 B:4IR402 3.8 41.8 0.5 O4 A:4IR401 3.9 39.1 0.5 C26 A:4IR401 4.0 44.5 0.5 C19 A:4IR401 4.0 49.0 0.5 C27 A:4IR401 4.1 40.0 0.5 C28 B:4IR402 4.1 33.9 0.5 C25 B:4IR402 4.2 49.3 0.5 C18 B:4IR402 4.2 44.1 0.5 C19 B:4IR402 4.3 44.8 0.5 C24 A:4IR401 4.5 51.5 0.5 C28 A:4IR401 4.7 37.5 0.5 C17 A:4IR401 4.7 48.1 0.5 N5 A:4IR401 4.8 47.6 0.5 C18 A:4IR401 4.8 47.8 0.5

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl402 b:48.4 occ:0.50 CL1 B:4IR402 0.0 48.4 0.5 IR1 B:4IR402 2.4 41.5 0.5 C26 B:4IR402 2.8 47.4 0.5 C21 B:4IR402 2.9 45.6 0.5 N4 B:4IR402 3.0 43.7 0.5 N5 B:4IR402 3.4 43.2 0.5 C20 B:4IR402 3.5 48.0 0.5 C17 B:4IR402 3.5 48.4 0.5 C28 B:4IR402 3.6 36.8 0.5 C27 B:4IR402 3.8 39.3 0.5 C25 B:4IR402 3.9 45.6 0.5 C22 B:4IR402 4.0 47.6 0.5 C19 B:4IR402 4.2 47.1 0.5 C18 B:4IR402 4.3 46.5 0.5 S2 B:4IR402 4.4 45.9 0.5 C24 B:4IR402 4.5 48.6 0.5 O3 B:4IR402 4.6 46.1 0.5 O4 B:4IR402 4.6 45.6 0.5 C25 B:4IR402 4.9 49.3 0.5 C19 B:4IR402 4.9 44.8 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