Manganese in PDB 7bbm: Mutant Nitrobindin M75L/H76L/Q96C/M148L (NB4H) From Arabidopsis Thaliana with Cofactor Mnppix

The structure of Mutant Nitrobindin M75L/H76L/Q96C/M148L (NB4H) From Arabidopsis Thaliana with Cofactor Mnppix, PDB code: 7bbm was solved by A.Minges, D.F.Sauer, M.Wittwer, U.Markel, M.Spiertz, J.Schiffels, M.D.Davari, J.Okuda, U.Schwaneberg, G.Groth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.77 / 1.14
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	59.9, 79.547, 36.56, 90, 90, 90
R / Rfree (%)	14.5 / 15.8

The binding sites of Manganese atom in the Mutant Nitrobindin M75L/H76L/Q96C/M148L (NB4H) From Arabidopsis Thaliana with Cofactor Mnppix (pdb code 7bbm). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Mutant Nitrobindin M75L/H76L/Q96C/M148L (NB4H) From Arabidopsis Thaliana with Cofactor Mnppix, PDB code: 7bbm:

Manganese binding site 1 out of 1 in the Mutant Nitrobindin M75L/H76L/Q96C/M148L (NB4H) From Arabidopsis Thaliana with Cofactor Mnppix


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Mutant Nitrobindin M75L/H76L/Q96C/M148L (NB4H) From Arabidopsis Thaliana with Cofactor Mnppix within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn207 b:24.8 occ:0.74 MN A:MNH207 0.0 24.8 0.7 ND A:MNH207 2.1 30.1 0.7 NA A:MNH207 2.1 31.0 0.7 NC A:MNH207 2.1 29.3 0.7 NB A:MNH207 2.2 28.5 0.7 NE2 A:HIS158 2.4 26.9 1.0 C4C A:MNH207 3.1 30.4 0.7 C4D A:MNH207 3.1 33.0 0.7 C1D A:MNH207 3.1 32.8 0.7 CHD A:MNH207 3.1 32.8 0.7 C1A A:MNH207 3.1 33.9 0.7 C4A A:MNH207 3.2 31.8 0.7 C1C A:MNH207 3.2 29.4 0.7 C4B A:MNH207 3.2 29.6 0.7 CE1 A:HIS158 3.2 28.5 1.0 CHA A:MNH207 3.2 34.7 0.7 HE1 A:HIS158 3.2 34.2 1.0 C1B A:MNH207 3.2 29.0 0.7 CHC A:MNH207 3.3 29.6 0.7 CHB A:MNH207 3.3 30.3 0.7 CD2 A:HIS158 3.5 25.3 1.0 HD2 A:HIS158 3.8 30.3 1.0 HZ A:PHE44 3.9 33.2 1.0 HD21 A:LEU159 4.1 24.5 1.0 HHD A:MNH207 4.2 39.4 0.7 HHA A:MNH207 4.2 41.6 0.7 HHC A:MNH207 4.3 35.5 0.7 O A:HOH479 4.3 56.1 1.0 C3D A:MNH207 4.4 36.0 0.7 C3C A:MNH207 4.4 30.4 0.7 HHB A:MNH207 4.4 36.4 0.7 C3B A:MNH207 4.4 31.9 0.7 C2A A:MNH207 4.4 36.2 0.7 ND1 A:HIS158 4.4 25.2 1.0 C2C A:MNH207 4.4 30.0 0.7 C2D A:MNH207 4.4 33.1 0.7 C3A A:MNH207 4.4 34.1 0.7 C2B A:MNH207 4.5 31.0 0.7 CG A:HIS158 4.6 23.0 1.0 CZ A:PHE44 4.7 27.7 1.0 HE2 A:PHE44 4.7 33.5 1.0 HD21 A:LEU148 4.9 32.8 1.0 HD11 A:LEU159 4.9 26.1 1.0 HD13 A:ILE41 5.0 56.6 1.0

D.F.Sauer, M.Wittwer, U.Markel, A.Minges, M.Spiertz, J.Schiffels, M.D.Davari, G.Groth, J.Okuda, U.Schwaneberg. Chemogenetic Engineering of Nitrobindin Toward An Artificial Epoxygenase Catalysis Science and 2021TECHNOLOGY.
ISSN: ESSN 2044-4761
DOI: 10.1039/D1CY00609F