Chlorine in PDB 8gog: Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III))

The structure of Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III)), PDB code: 8gog was solved by A.Sairaman, P.Mukherjee, D.Maiti, P.Bhaumik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.73 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	79.45, 81.39, 90.25, 90, 90, 90
R / Rfree (%)	25.1 / 29.4

The structure of Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III)) also contains other interesting chemical elements:

Rhodium

(Rh)

8 atoms

The binding sites of Chlorine atom in the Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III)) (pdb code 8gog). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III)), PDB code: 8gog:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III))


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III)) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:60.1 occ:0.60 CL1 A:JSU302 0.0 60.1 0.6 RH A:JSU302 2.4 78.0 0.6 C20 A:JSU302 3.0 57.6 0.4 C16 A:JSU302 3.3 55.3 0.6 C20 A:JSU302 3.4 57.4 0.6 C15 A:JSU302 3.5 55.5 0.6 C19 A:JSU302 3.9 53.9 0.6 C17 A:JSU302 3.9 55.6 0.6 C21 A:JSU302 4.1 53.6 0.4 C16 A:JSU302 4.2 54.8 0.4 C14 A:JSU302 4.2 54.4 0.6 C13 A:JSU302 4.4 54.6 0.6 C21 A:JSU302 4.6 51.5 0.6 C17 A:JSU302 4.6 53.9 0.4

Chlorine binding site 2 out of 8 in the Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III))


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III)) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:57.5 occ:0.40 CL1 A:JSU302 0.0 57.5 0.4 C19 A:JSU302 2.1 53.9 0.6 RH A:JSU302 2.4 59.2 0.4 OH A:TYR112 2.7 46.5 1.0 CZ A:TYR112 2.9 47.9 1.0 C20 A:JSU302 3.1 57.6 0.4 C16 A:JSU302 3.1 54.8 0.4 C15 A:JSU302 3.2 55.5 0.6 C18 A:JSU302 3.2 51.5 0.6 CE1 A:TYR112 3.3 40.5 1.0 CE2 A:TYR112 3.4 46.6 1.0 C15 A:JSU302 3.5 53.7 0.4 C14 A:JSU302 3.6 54.4 0.6 C17 A:JSU302 3.7 53.9 0.4 C19 A:JSU302 3.9 51.7 0.4 CD1 A:TYR112 4.2 40.9 1.0 C21 A:JSU302 4.2 53.6 0.4 CD2 A:TYR112 4.2 48.0 1.0 C14 A:JSU302 4.2 51.1 0.4 C13 A:JSU302 4.4 51.0 0.4 C16 A:JSU302 4.5 55.3 0.6 CG A:TYR112 4.6 42.1 1.0 RH A:JSU302 4.6 78.0 0.6 O A:GLU121 4.9 29.0 1.0 C13 A:JSU302 5.0 54.6 0.6

Chlorine binding site 3 out of 8 in the Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III))


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III)) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:67.8 occ:1.00 RH B:RH3301 3.0 77.5 1.0 CD2 B:HIS87 4.1 31.9 1.0 NE2 B:HIS87 4.1 31.8 1.0 CB A:ALA65 4.5 43.5 1.0 OD2 A:ASP67 4.5 48.9 1.0

Chlorine binding site 4 out of 8 in the Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III))


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III)) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:63.5 occ:1.00 RH A:RH3301 3.1 92.2 1.0 O B:ALA63 3.2 27.1 1.0 CE1 A:HIS87 3.3 36.4 1.0 NE2 A:HIS87 3.6 34.9 1.0 O B:PRO64 4.2 38.5 1.0 C B:ALA63 4.2 31.3 1.0 CA B:ALA65 4.4 34.8 1.0 CB B:ALA63 4.4 36.3 1.0 C B:PRO64 4.4 35.0 1.0 N B:ALA65 4.5 34.3 1.0 ND1 A:HIS87 4.6 34.3 1.0 CA B:ALA63 4.9 33.1 1.0 CD2 A:HIS87 4.9 28.4 1.0

Chlorine binding site 5 out of 8 in the Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III))


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III)) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:76.8 occ:1.00 RH A:RH3303 3.0 71.3 1.0 CE1 A:HIS127 4.9 32.2 1.0

Chlorine binding site 6 out of 8 in the Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III))


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III)) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:57.1 occ:0.44 CL1 B:JSU303 0.0 57.1 0.4 RH B:JSU303 2.4 62.4 0.4 C19 B:JSU303 2.5 56.4 0.6 CZ B:TYR112 3.0 50.0 1.0 CE1 B:TYR112 3.0 43.1 1.0 C18 B:JSU303 3.1 51.9 0.6 OH B:TYR112 3.1 47.8 1.0 C20 B:JSU303 3.2 57.2 0.4 C16 B:JSU303 3.2 55.5 0.4 C15 B:JSU303 3.4 56.2 0.6 C15 B:JSU303 3.5 54.6 0.4 C14 B:JSU303 3.6 54.4 0.6 C17 B:JSU303 3.7 54.2 0.4 CE2 B:TYR112 3.7 48.7 1.0 CD1 B:TYR112 3.8 44.5 1.0 C19 B:JSU303 4.0 55.6 0.4 C14 B:JSU303 4.3 52.3 0.4 O B:GLU121 4.3 28.4 1.0 C21 B:JSU303 4.3 51.0 0.4 C13 B:JSU303 4.4 51.6 0.4 CD2 B:TYR112 4.4 47.3 1.0 CG B:TYR112 4.5 38.1 1.0 C16 B:JSU303 4.8 55.3 0.6 C13 B:JSU303 5.0 53.9 0.6

Chlorine binding site 7 out of 8 in the Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III))


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III)) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:59.5 occ:0.56 CL1 B:JSU303 0.0 59.5 0.6 RH B:JSU303 2.4 74.6 0.6 C20 B:JSU303 3.0 57.2 0.4 C16 B:JSU303 3.3 55.3 0.6 C20 B:JSU303 3.3 58.8 0.6 C15 B:JSU303 3.5 56.2 0.6 C19 B:JSU303 3.9 56.4 0.6 C17 B:JSU303 3.9 54.9 0.6 C16 B:JSU303 4.0 55.5 0.4 C14 B:JSU303 4.2 54.4 0.6 C13 B:JSU303 4.4 53.9 0.6 C21 B:JSU303 4.5 51.0 0.4 C21 B:JSU303 4.6 51.1 0.6 C17 B:JSU303 4.6 54.2 0.4

Chlorine binding site 8 out of 8 in the Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III))


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of Streptavidin Mutant (S112Y-K121E) Complexed with Biotin- Cyclopentadienyl-Rhodium (III)(Cp*-Rh(III)) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:77.0 occ:1.00 RH B:RH3302 2.6 66.7 1.0 NE2 B:HIS127 3.1 34.5 1.0 CE1 B:HIS127 3.7 35.7 1.0 CD2 B:HIS127 4.2 35.2 1.0 ND1 B:HIS127 4.9 39.0 1.0

P.Mukherjee, A.Sairaman, S.Jain, S.Roy, P.Bhaumik, D.Maiti. Artificial Metalloenzyme Catalyzed Enantiodivergent Synthesis of Isoindolones To Be Published.