Manganese in PDB 7wg0: Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-Palmitoyl-L-Phenylalanine

All present enzymatic activity of Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-Palmitoyl-L-Phenylalanine:
1.14.14.1; 1.6.2.4;

The structure of Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-Palmitoyl-L-Phenylalanine, PDB code: 7wg0 was solved by O.Keita, S.Osami, A.Yuichiro, S.Hiroshi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.52 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.78, 127.89, 148.67, 90, 90, 90
R / Rfree (%)	20.8 / 26.7

The binding sites of Manganese atom in the Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-Palmitoyl-L-Phenylalanine (pdb code 7wg0). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-Palmitoyl-L-Phenylalanine, PDB code: 7wg0:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-Palmitoyl-L-Phenylalanine


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-Palmitoyl-L-Phenylalanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn502 b:24.8 occ:1.00 MN A:MNH502 0.0 24.8 1.0 NA A:MNH502 2.1 26.8 1.0 ND A:MNH502 2.1 26.5 1.0 NC A:MNH502 2.1 26.9 1.0 NB A:MNH502 2.1 26.3 1.0 SG A:CYS400 2.3 24.6 1.0 C4B A:MNH502 3.1 26.4 1.0 C1C A:MNH502 3.1 26.5 1.0 C1A A:MNH502 3.1 26.1 1.0 C1B A:MNH502 3.1 26.6 1.0 C4C A:MNH502 3.1 26.4 1.0 C4D A:MNH502 3.1 26.4 1.0 C1D A:MNH502 3.1 26.4 1.0 C4A A:MNH502 3.2 26.3 1.0 CB A:CYS400 3.2 25.7 1.0 CHC A:MNH502 3.4 27.0 1.0 CHA A:MNH502 3.5 26.6 1.0 CHB A:MNH502 3.5 26.7 1.0 CHD A:MNH502 3.5 26.3 1.0 O A:HOH745 3.6 41.0 1.0 CA A:CYS400 3.9 25.6 1.0 C3C A:MNH502 4.3 26.9 1.0 C2C A:MNH502 4.3 27.1 1.0 C3B A:MNH502 4.3 26.6 1.0 C2B A:MNH502 4.4 26.8 1.0 C2A A:MNH502 4.4 27.2 1.0 C3D A:MNH502 4.4 26.9 1.0 C2D A:MNH502 4.4 27.1 1.0 C3A A:MNH502 4.4 27.2 1.0 CD A:PRO401 4.7 25.6 1.0 CE2 A:PHE87 4.7 28.1 1.0 C A:CYS400 4.8 25.2 1.0 CD1 A:PHE393 4.9 25.7 1.0 N A:GLY402 4.9 26.1 1.0 N A:PRO401 5.0 25.3 1.0

Manganese binding site 2 out of 2 in the Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-Palmitoyl-L-Phenylalanine


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-Palmitoyl-L-Phenylalanine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn502 b:20.0 occ:1.00 MN B:MNH502 0.0 20.0 1.0 NB B:MNH502 2.0 21.0 1.0 ND B:MNH502 2.1 20.5 1.0 NA B:MNH502 2.1 21.1 1.0 NC B:MNH502 2.1 20.8 1.0 SG B:CYS400 2.4 19.5 1.0 C4B B:MNH502 3.0 21.5 1.0 C1C B:MNH502 3.0 20.7 1.0 C1B B:MNH502 3.1 21.4 1.0 C4A B:MNH502 3.1 20.8 1.0 C4C B:MNH502 3.1 20.6 1.0 C4D B:MNH502 3.2 20.0 1.0 C1A B:MNH502 3.2 20.5 1.0 C1D B:MNH502 3.2 20.3 1.0 CB B:CYS400 3.3 20.7 1.0 CHC B:MNH502 3.4 21.4 1.0 CHB B:MNH502 3.5 21.6 1.0 CHA B:MNH502 3.6 20.1 1.0 CHD B:MNH502 3.6 20.6 1.0 O B:HOH698 3.6 44.4 1.0 CA B:CYS400 3.9 21.2 1.0 C2C B:MNH502 4.3 20.8 1.0 C3C B:MNH502 4.3 21.2 1.0 C3B B:MNH502 4.3 21.8 1.0 C2B B:MNH502 4.4 21.6 1.0 C3A B:MNH502 4.4 20.9 1.0 C3D B:MNH502 4.4 20.0 1.0 C2D B:MNH502 4.5 20.5 1.0 C2A B:MNH502 4.5 20.6 1.0 O B:ALA264 4.6 27.8 1.0 CD B:PRO401 4.7 21.5 1.0 CE2 B:PHE87 4.8 30.4 1.0 CD1 B:PHE393 4.8 24.3 1.0 C B:CYS400 4.9 21.9 1.0 N B:GLY402 5.0 23.8 1.0

O.Keita, S.Osami, A.Yuichiro, S.Hiroshi. Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-Palmitoyl-L-Phenylalanine To Be Published.