Rhodium 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:

Chlorine

(Cl)

8 atoms

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

Rhodium 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 Rhodium with other atoms in the Rh 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:Rh301 b:92.2 occ:1.00 NE2 A:HIS87 2.6 34.9 1.0 CL A:CL306 3.1 63.5 1.0 CE1 A:HIS87 3.6 36.4 1.0 CD2 A:HIS87 3.6 28.4 1.0 ND1 A:HIS87 4.7 34.3 1.0 CG A:HIS87 4.7 35.5 1.0 O A:ASN85 4.9 40.1 1.0 CB B:ALA65 4.9 32.7 1.0

Rhodium 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 Rhodium with other atoms in the Rh 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:Rh302 b:78.0 occ:0.60 RH A:JSU302 0.0 78.0 0.6 C21 A:JSU302 1.8 53.6 0.4 C14 A:JSU302 2.1 54.4 0.6 C17 A:JSU302 2.1 55.6 0.6 C15 A:JSU302 2.1 55.5 0.6 C13 A:JSU302 2.1 54.6 0.6 C16 A:JSU302 2.1 55.3 0.6 CL1 A:JSU302 2.4 60.1 0.6 C20 A:JSU302 2.4 57.6 0.4 C17 A:JSU302 2.5 53.9 0.4 C16 A:JSU302 2.7 54.8 0.4 C18 A:JSU302 3.2 51.5 0.6 C21 A:JSU302 3.2 51.5 0.6 C19 A:JSU302 3.2 53.9 0.6 C20 A:JSU302 3.2 57.4 0.6 C12 A:JSU302 3.3 48.5 0.6 C13 A:JSU302 3.8 51.0 0.4 C15 A:JSU302 4.1 53.7 0.4 RH A:JSU302 4.2 59.2 0.4 C14 A:JSU302 4.5 51.1 0.4 C11 A:JSU302 4.5 47.0 0.6 C11 A:JSU302 4.6 47.0 0.4 CL1 A:JSU302 4.6 57.5 0.4 C12 A:JSU302 4.7 47.3 0.4

Rhodium 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 Rhodium with other atoms in the Rh 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:Rh302 b:59.2 occ:0.40 RH A:JSU302 0.0 59.2 0.4 C18 A:JSU302 1.9 51.5 0.6 C14 A:JSU302 2.1 51.1 0.4 C17 A:JSU302 2.1 53.9 0.4 C15 A:JSU302 2.1 53.7 0.4 C13 A:JSU302 2.1 51.0 0.4 C16 A:JSU302 2.1 54.8 0.4 C14 A:JSU302 2.3 54.4 0.6 CL1 A:JSU302 2.4 57.5 0.4 C15 A:JSU302 2.6 55.5 0.6 C19 A:JSU302 2.6 53.9 0.6 CD2 A:TYR112 3.1 48.0 1.0 CE2 A:TYR112 3.1 46.6 1.0 CG A:TYR112 3.1 42.1 1.0 CD1 A:TYR112 3.1 40.9 1.0 C21 A:JSU302 3.2 53.6 0.4 CZ A:TYR112 3.2 47.9 1.0 CE1 A:TYR112 3.2 40.5 1.0 C19 A:JSU302 3.2 51.7 0.4 C20 A:JSU302 3.2 57.6 0.4 C18 A:JSU302 3.2 46.3 0.4 C12 A:JSU302 3.3 47.3 0.4 C13 A:JSU302 3.4 54.6 0.6 C16 A:JSU302 3.7 55.3 0.6 OH A:TYR112 4.0 46.5 1.0 CB A:TYR112 4.0 37.6 1.0 C17 A:JSU302 4.2 55.6 0.6 RH A:JSU302 4.2 78.0 0.6 C12 A:JSU302 4.3 48.5 0.6 C11 A:JSU302 4.4 47.0 0.6 C11 A:JSU302 4.5 47.0 0.4 C20 A:JSU302 4.9 57.4 0.6

Rhodium 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 Rhodium with other atoms in the Rh 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:Rh303 b:71.3 occ:1.00 CE1 A:HIS127 2.9 32.2 1.0 CL A:CL307 3.0 76.8 1.0 ND1 A:HIS127 3.1 33.6 1.0 NE2 A:HIS127 4.2 34.0 1.0 CG A:HIS127 4.5 32.6 1.0 CD2 A:HIS127 5.0 27.9 1.0

Rhodium 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 Rhodium with other atoms in the Rh 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 B:Rh301 b:77.5 occ:1.00 NE2 B:HIS87 2.5 31.8 1.0 CL A:CL305 3.0 67.8 1.0 CD2 B:HIS87 3.3 31.9 1.0 CE1 B:HIS87 3.5 28.4 1.0 CG B:HIS87 4.5 34.0 1.0 ND1 B:HIS87 4.6 29.5 1.0 O B:ASN85 4.9 37.5 1.0

Rhodium 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 Rhodium with other atoms in the Rh 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:Rh302 b:66.7 occ:1.00 NE2 B:HIS127 2.5 34.5 1.0 CL B:CL304 2.6 77.0 1.0 CD2 B:HIS127 3.2 35.2 1.0 CE1 B:HIS127 3.6 35.7 1.0 CG B:HIS127 4.5 26.9 1.0 ND1 B:HIS127 4.6 39.0 1.0

Rhodium 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 Rhodium with other atoms in the Rh 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:Rh303 b:62.4 occ:0.44 RH B:JSU303 0.0 62.4 0.4 C18 B:JSU303 2.1 51.9 0.6 C14 B:JSU303 2.1 52.3 0.4 C17 B:JSU303 2.1 54.2 0.4 C15 B:JSU303 2.1 54.6 0.4 C13 B:JSU303 2.1 51.6 0.4 C16 B:JSU303 2.1 55.5 0.4 C14 B:JSU303 2.3 54.4 0.6 CL1 B:JSU303 2.4 57.1 0.4 C15 B:JSU303 2.6 56.2 0.6 C19 B:JSU303 2.9 56.4 0.6 CD1 B:TYR112 3.2 44.5 1.0 C21 B:JSU303 3.2 51.0 0.4 C19 B:JSU303 3.2 55.6 0.4 C12 B:JSU303 3.2 45.3 0.4 C20 B:JSU303 3.2 57.2 0.4 C18 B:JSU303 3.2 49.0 0.4 CG B:TYR112 3.2 38.1 1.0 C13 B:JSU303 3.3 53.9 0.6 CE1 B:TYR112 3.3 43.1 1.0 CD2 B:TYR112 3.3 47.3 1.0 CE2 B:TYR112 3.5 48.7 1.0 CZ B:TYR112 3.5 50.0 1.0 C16 B:JSU303 3.7 55.3 0.6 CB B:TYR112 4.0 37.2 1.0 C17 B:JSU303 4.0 54.9 0.6 C12 B:JSU303 4.1 49.9 0.6 RH B:JSU303 4.3 74.6 0.6 OH B:TYR112 4.3 47.8 1.0 C11 B:JSU303 4.4 46.6 0.6 C11 B:JSU303 4.4 46.6 0.4 C20 B:JSU303 4.9 58.8 0.6

Rhodium 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 Rhodium with other atoms in the Rh 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:Rh303 b:74.6 occ:0.56 RH B:JSU303 0.0 74.6 0.6 C14 B:JSU303 2.1 54.4 0.6 C15 B:JSU303 2.1 56.2 0.6 C17 B:JSU303 2.1 54.9 0.6 C13 B:JSU303 2.1 53.9 0.6 C16 B:JSU303 2.1 55.3 0.6 C20 B:JSU303 2.3 57.2 0.4 C21 B:JSU303 2.3 51.0 0.4 CL1 B:JSU303 2.4 59.5 0.6 C16 B:JSU303 2.4 55.5 0.4 C17 B:JSU303 2.5 54.2 0.4 C18 B:JSU303 3.2 51.9 0.6 C21 B:JSU303 3.2 51.1 0.6 C20 B:JSU303 3.2 58.8 0.6 C19 B:JSU303 3.2 56.4 0.6 C12 B:JSU303 3.3 49.9 0.6 C15 B:JSU303 3.6 54.6 0.4 C13 B:JSU303 3.6 51.6 0.4 C14 B:JSU303 4.2 52.3 0.4 RH B:JSU303 4.3 62.4 0.4 C11 B:JSU303 4.5 46.6 0.4 C11 B:JSU303 4.5 46.6 0.6 C12 B:JSU303 4.6 45.3 0.4 C19 B:JSU303 4.6 55.6 0.4

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