Rhodium in PDB 3wjc: Crystal Structure of Mutant Nitrobindin M75L/H76L/Q96C/M148L/H158L Covalently Linked with [Rh(Cp-Mal)(Cod)] (NB4-Rh) From Arabidopsis Thaliana

The structure of Crystal Structure of Mutant Nitrobindin M75L/H76L/Q96C/M148L/H158L Covalently Linked with [Rh(Cp-Mal)(Cod)] (NB4-Rh) From Arabidopsis Thaliana, PDB code: 3wjc was solved by E.Mizohata, K.Fukumoto, A.Onoda, M.Bocola, M.Arlt, T.Inoue, U.Schwaneberg, T.Hayashi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	67.888, 67.888, 129.895, 90.00, 90.00, 90.00
R / Rfree (%)	23.9 / 29.5

The structure of Crystal Structure of Mutant Nitrobindin M75L/H76L/Q96C/M148L/H158L Covalently Linked with [Rh(Cp-Mal)(Cod)] (NB4-Rh) From Arabidopsis Thaliana also contains other interesting chemical elements:

Barium

(Ba)

4 atoms

The binding sites of Rhodium atom in the Crystal Structure of Mutant Nitrobindin M75L/H76L/Q96C/M148L/H158L Covalently Linked with [Rh(Cp-Mal)(Cod)] (NB4-Rh) From Arabidopsis Thaliana (pdb code 3wjc). This binding sites where shown within 5.0 Angstroms radius around Rhodium atom.
In total 2 binding sites of Rhodium where determined in the Crystal Structure of Mutant Nitrobindin M75L/H76L/Q96C/M148L/H158L Covalently Linked with [Rh(Cp-Mal)(Cod)] (NB4-Rh) From Arabidopsis Thaliana, PDB code: 3wjc:
Jump to Rhodium binding site number: 1; 2;

Rhodium binding site 1 out of 2 in the Crystal Structure of Mutant Nitrobindin M75L/H76L/Q96C/M148L/H158L Covalently Linked with [Rh(Cp-Mal)(Cod)] (NB4-Rh) From Arabidopsis Thaliana


Mono view


Stereo pair view

A full contact list of Rhodium with other atoms in the Rh binding site number 1 of Crystal Structure of Mutant Nitrobindin M75L/H76L/Q96C/M148L/H158L Covalently Linked with [Rh(Cp-Mal)(Cod)] (NB4-Rh) From Arabidopsis Thaliana within 5.0Å range: probe atom residue distance (Å) B Occ A:Rh201 b:77.0 occ:1.00 RH A:RMD201 0.0 77.0 1.0 C1C A:RMD201 1.9 72.3 1.0 C4C A:RMD201 2.0 70.5 1.0 C8C A:RMD201 2.0 66.1 1.0 C5C A:RMD201 2.1 66.5 1.0 C5B A:RMD201 2.2 71.7 1.0 C7B A:RMD201 2.2 68.2 1.0 C6B A:RMD201 2.2 69.5 1.0 C4B A:RMD201 2.2 68.5 1.0 C3B A:RMD201 2.3 65.4 1.0 C7C A:RMD201 2.6 59.1 1.0 C6C A:RMD201 2.7 62.5 1.0 C3C A:RMD201 2.9 69.0 1.0 C2C A:RMD201 3.0 68.6 1.0 C2B A:RMD201 3.4 56.2 1.0 O1A A:RMD201 3.7 43.3 1.0 C1B A:RMD201 4.6 50.0 1.0 CG2 A:THR98 4.8 34.0 1.0 C1A A:RMD201 4.8 53.4 1.0 CG2 A:VAL128 5.0 51.6 1.0

Rhodium binding site 2 out of 2 in the Crystal Structure of Mutant Nitrobindin M75L/H76L/Q96C/M148L/H158L Covalently Linked with [Rh(Cp-Mal)(Cod)] (NB4-Rh) From Arabidopsis Thaliana


Mono view


Stereo pair view

A full contact list of Rhodium with other atoms in the Rh binding site number 2 of Crystal Structure of Mutant Nitrobindin M75L/H76L/Q96C/M148L/H158L Covalently Linked with [Rh(Cp-Mal)(Cod)] (NB4-Rh) From Arabidopsis Thaliana within 5.0Å range: probe atom residue distance (Å) B Occ B:Rh201 b:81.8 occ:1.00 RH B:RMD201 0.0 81.8 1.0 C1C B:RMD201 1.9 72.2 1.0 C4C B:RMD201 2.0 70.5 1.0 C8C B:RMD201 2.0 67.2 1.0 C5C B:RMD201 2.1 67.3 1.0 C7B B:RMD201 2.2 69.3 1.0 C5B B:RMD201 2.2 71.1 1.0 C4B B:RMD201 2.2 67.2 1.0 C6B B:RMD201 2.2 69.9 1.0 C3B B:RMD201 2.2 64.7 1.0 C3C B:RMD201 2.8 69.0 1.0 C2C B:RMD201 2.9 69.0 1.0 C7C B:RMD201 3.0 59.2 1.0 C6C B:RMD201 3.1 61.9 1.0 C2B B:RMD201 3.3 55.3 1.0 C1B B:RMD201 4.5 49.4 1.0 O1A B:RMD201 4.8 45.9 1.0

K.Fukumoto, A.Onoda, E.Mizohata, M.Bocola, T.Inoue, U.Schwaneberg, T.Hayashi. A Rhodium Complex-Linked Hybrid Biocatalyst: Stereo-Controlled Phenylacetylene Polymerization Within An Engineered Protein Cavity Chemcatchem 2014.
ISSN: ESSN 1867-3899
DOI: 10.1002/CCTC.201301055