Chlorine 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:

Iridium

(Ir)

4 atoms

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

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl401 b:71.4 occ:0.60 CL1 A:4IR401 0.0 71.4 0.6 IR1 A:4IR401 2.5 90.6 0.6 C24 B:4IR402 2.7 59.4 0.4 C26 A:4IR401 2.8 56.2 0.6 O4 B:4IR402 2.9 42.6 0.4 C21 A:4IR401 2.9 72.8 0.6 N5 A:4IR401 3.1 64.3 0.6 C17 A:4IR401 3.2 69.9 0.6 O A:ALA121 3.3 34.0 1.0 C22 A:4IR401 3.3 57.0 0.6 C28 A:4IR401 3.3 52.6 0.6 N4 A:4IR401 3.4 60.8 0.6 C27 A:4IR401 3.7 51.4 0.6 C20 A:4IR401 3.8 70.3 0.6 CB A:ALA121 4.1 37.2 1.0 C18 A:4IR401 4.1 71.6 0.6 C19 B:4IR402 4.1 59.9 0.4 S2 B:4IR402 4.1 48.0 0.4 C A:ALA121 4.3 36.8 1.0 C19 A:4IR401 4.4 69.1 0.6 N4 B:4IR402 4.4 51.0 0.4 CD2 B:LEU308 4.5 29.8 1.0 CD1 B:LEU308 4.6 34.2 1.0 C25 A:4IR401 4.6 67.0 0.6 C25 B:4IR402 4.7 52.6 0.4 O3 B:4IR402 4.7 50.6 0.4 CA A:ALA121 4.8 34.0 1.0 C20 B:4IR402 4.8 61.7 0.4 S2 A:4IR401 5.0 54.6 0.6

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl402 b:66.0 occ:0.40 CL1 A:4IR402 0.0 66.0 0.4 IR1 A:4IR402 2.5 73.6 0.4 C26 A:4IR402 2.5 64.9 0.4 C21 A:4IR402 2.8 64.8 0.4 N4 A:4IR402 3.2 56.0 0.4 N5 A:4IR402 3.3 52.9 0.4 C17 A:4IR402 3.3 64.6 0.4 O A:LYS305 3.4 32.9 1.0 O4 A:4IR402 3.5 45.2 0.4 C20 A:4IR402 3.6 64.0 0.4 N5 B:4IR401 3.6 70.0 0.6 C22 A:4IR402 3.6 58.6 0.4 C28 B:4IR401 3.9 59.4 0.6 CD2 B:LEU124 4.0 28.9 1.0 S2 A:4IR402 4.0 55.3 0.4 O4 B:4IR401 4.0 51.3 0.6 C25 A:4IR402 4.1 63.0 0.4 C18 A:4IR402 4.2 64.8 0.4 C19 A:4IR402 4.3 63.8 0.4 C27 A:4IR402 4.4 52.0 0.4 C28 A:4IR402 4.4 54.2 0.4 C27 B:4IR401 4.4 52.8 0.6 C A:LYS305 4.6 34.0 1.0 CD1 B:LEU124 4.7 36.2 1.0 CG B:LEU124 4.8 31.4 1.0 O3 A:4IR402 4.8 52.5 0.4 CB A:LYS305 4.9 39.0 1.0 N4 B:4IR401 4.9 64.7 0.6 CD2 A:LEU308 4.9 29.1 1.0 CG A:LEU308 5.0 31.6 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl401 b:83.8 occ:0.60 CL1 B:4IR401 0.0 83.8 0.6 IR1 B:4IR401 2.4 89.9 0.6 C26 B:4IR401 2.5 72.2 0.6 C26 A:4IR402 2.7 64.9 0.4 C21 B:4IR401 2.7 77.1 0.6 O3 B:4IR401 2.7 57.9 0.6 C21 A:4IR402 2.9 64.8 0.4 C20 A:4IR402 3.1 64.0 0.4 C25 A:4IR402 3.1 63.0 0.4 C17 B:4IR401 3.4 78.1 0.6 C20 B:4IR401 3.4 75.4 0.6 N4 B:4IR401 3.4 64.7 0.6 S2 B:4IR401 3.4 58.3 0.6 N5 B:4IR401 3.5 70.0 0.6 O4 B:4IR401 3.8 51.3 0.6 C22 B:4IR401 3.9 66.9 0.6 C25 B:4IR401 3.9 67.7 0.6 C17 A:4IR402 3.9 64.6 0.4 C19 A:4IR402 4.2 63.8 0.4 C18 B:4IR401 4.2 72.1 0.6 C19 B:4IR401 4.2 70.8 0.6 C27 B:4IR401 4.5 52.8 0.6 C18 A:4IR402 4.6 64.8 0.4 C28 B:4IR401 4.6 59.4 0.6 IR1 A:4IR402 4.8 73.6 0.4 C22 A:4IR402 4.8 58.6 0.4 C16 B:4IR401 4.9 48.1 0.6

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl402 b:57.1 occ:0.40 CL1 B:4IR402 0.0 57.1 0.4 IR1 B:4IR402 2.4 68.8 0.4 C26 B:4IR402 2.6 50.9 0.4 C28 B:4IR402 2.6 54.3 0.4 C21 B:4IR402 2.8 57.9 0.4 C27 B:4IR402 2.9 49.6 0.4 N5 B:4IR402 2.9 58.6 0.4 C17 B:4IR402 3.2 60.6 0.4 N4 B:4IR402 3.4 51.0 0.4 C22 B:4IR402 3.5 58.5 0.4 C20 B:4IR402 3.6 61.7 0.4 O B:LYS305 3.9 31.6 1.0 CG2 B:THR298 4.0 37.0 1.0 C18 B:4IR402 4.1 60.5 0.4 C25 B:4IR402 4.2 52.6 0.4 C19 B:4IR402 4.3 59.9 0.4 CB B:ARG296 4.4 34.0 1.0 CG B:ARG296 4.5 55.7 1.0 S2 B:4IR402 4.7 48.0 0.4 O3 B:4IR402 4.8 50.6 0.4 C B:LYS305 4.9 33.9 1.0 CA B:SER306 4.9 25.6 1.0

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