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Manganese in PDB 6jzs: Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in Complex with Pyridine

Enzymatic activity of Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in Complex with Pyridine

All present enzymatic activity of Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in Complex with Pyridine:
1.14.14.1; 1.6.2.4;

Protein crystallography data

The structure of Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in Complex with Pyridine, PDB code: 6jzs was solved by J.K.Stanfield, K.Omura, A.Matsumoto, C.Kasai, H.Sugimoto, Y.Shiro, Y.Watanabe, O.Shoji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.33 / 1.68
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.715, 146.129, 62.481, 90.00, 96.87, 90.00
R / Rfree (%) 18 / 20.9

Manganese Binding Sites:

The binding sites of Manganese atom in the Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in Complex with Pyridine (pdb code 6jzs). 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 Haem Domain with N-Abietoyl-L-Tryptophan in Complex with Pyridine, PDB code: 6jzs:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 6jzs

Go back to Manganese Binding Sites List in 6jzs
Manganese binding site 1 out of 2 in the Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in Complex with Pyridine


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 Haem Domain with N-Abietoyl-L-Tryptophan in Complex with Pyridine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn503

b:18.2
occ:1.00
MN A:MNH503 0.0 18.2 1.0
NC A:MNH503 2.0 17.7 1.0
NB A:MNH503 2.1 16.5 1.0
ND A:MNH503 2.1 17.8 1.0
NA A:MNH503 2.1 17.1 1.0
SG A:CYS400 2.4 19.0 1.0
C4B A:MNH503 3.0 17.7 1.0
C1B A:MNH503 3.0 16.9 1.0
C1C A:MNH503 3.1 18.7 1.0
C4C A:MNH503 3.1 18.0 1.0
C4A A:MNH503 3.1 17.8 1.0
C4D A:MNH503 3.2 17.2 1.0
C1D A:MNH503 3.2 17.5 1.0
C1A A:MNH503 3.2 16.6 1.0
CB A:CYS400 3.3 17.4 1.0
N1 A:0PY501 3.3 32.4 1.0
CHB A:MNH503 3.5 18.1 1.0
CHC A:MNH503 3.5 18.6 1.0
CHD A:MNH503 3.6 16.9 1.0
CHA A:MNH503 3.6 16.4 1.0
CA A:CYS400 3.9 16.9 1.0
C1 A:0PY501 4.1 30.5 1.0
C5 A:0PY501 4.2 32.5 1.0
C3B A:MNH503 4.3 18.4 1.0
C2B A:MNH503 4.3 17.4 1.0
C3C A:MNH503 4.4 18.7 1.0
C2C A:MNH503 4.4 19.2 1.0
C2A A:MNH503 4.4 16.4 1.0
C2D A:MNH503 4.4 17.3 1.0
C3A A:MNH503 4.4 17.8 1.0
C3D A:MNH503 4.4 17.2 1.0
C A:CYS400 4.7 18.3 1.0
N A:GLY402 4.7 20.2 1.0
N A:ILE401 4.8 19.0 1.0

Manganese binding site 2 out of 2 in 6jzs

Go back to Manganese Binding Sites List in 6jzs
Manganese binding site 2 out of 2 in the Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in Complex with Pyridine


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 Haem Domain with N-Abietoyl-L-Tryptophan in Complex with Pyridine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn504

b:19.1
occ:1.00
MN C:MNH504 0.0 19.1 1.0
NC C:MNH504 2.0 17.8 1.0
NA C:MNH504 2.1 17.1 1.0
NB C:MNH504 2.1 17.2 1.0
ND C:MNH504 2.1 17.9 1.0
SG C:CYS400 2.4 19.0 1.0
C4B C:MNH504 3.0 17.3 1.0
C1B C:MNH504 3.1 18.0 1.0
C1C C:MNH504 3.1 18.2 1.0
C4A C:MNH504 3.1 17.7 1.0
C4C C:MNH504 3.1 17.4 1.0
C1A C:MNH504 3.1 18.4 1.0
C1D C:MNH504 3.1 17.6 1.0
C4D C:MNH504 3.2 18.0 1.0
N1 C:0PY501 3.2 33.5 1.0
CB C:CYS400 3.3 18.6 1.0
CHC C:MNH504 3.4 17.6 1.0
CHB C:MNH504 3.5 16.8 1.0
CHA C:MNH504 3.5 18.3 1.0
CHD C:MNH504 3.6 17.4 1.0
CA C:CYS400 3.9 17.1 1.0
C1 C:0PY501 4.0 32.0 1.0
C5 C:0PY501 4.1 30.7 1.0
C3B C:MNH504 4.3 17.5 1.0
C3C C:MNH504 4.4 19.2 1.0
C2B C:MNH504 4.4 18.1 1.0
C2C C:MNH504 4.4 18.7 1.0
C3A C:MNH504 4.4 17.2 1.0
C2A C:MNH504 4.4 17.1 1.0
C3D C:MNH504 4.4 17.8 1.0
C2D C:MNH504 4.4 18.4 1.0
N C:GLY402 4.7 17.8 1.0
C C:CYS400 4.7 18.5 1.0
N C:ILE401 4.8 19.3 1.0

Reference:

O.Shoji, J.K.Stanfield. Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in Complex with Pyridine at 1.68 Angstrom Resolution To Be Published.
Page generated: Sun Oct 6 05:11:52 2024

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