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Molybdenum in PDB 6op4: Selenium-Incorporated, Carbon Monoxide-Inhibited, Reactivated Femo- Cofactor of Nitrogenase From Azotobacter Vinelandii

Enzymatic activity of Selenium-Incorporated, Carbon Monoxide-Inhibited, Reactivated Femo- Cofactor of Nitrogenase From Azotobacter Vinelandii

All present enzymatic activity of Selenium-Incorporated, Carbon Monoxide-Inhibited, Reactivated Femo- Cofactor of Nitrogenase From Azotobacter Vinelandii:
1.18.6.1;

Protein crystallography data

The structure of Selenium-Incorporated, Carbon Monoxide-Inhibited, Reactivated Femo- Cofactor of Nitrogenase From Azotobacter Vinelandii, PDB code: 6op4 was solved by R.J.Arias, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.41 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 76.981, 129.326, 106.755, 90.00, 108.84, 90.00
R / Rfree (%) 17.6 / 22.3

Other elements in 6op4:

The structure of Selenium-Incorporated, Carbon Monoxide-Inhibited, Reactivated Femo- Cofactor of Nitrogenase From Azotobacter Vinelandii also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Iron (Fe) 30 atoms
Calcium (Ca) 2 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Selenium-Incorporated, Carbon Monoxide-Inhibited, Reactivated Femo- Cofactor of Nitrogenase From Azotobacter Vinelandii (pdb code 6op4). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Selenium-Incorporated, Carbon Monoxide-Inhibited, Reactivated Femo- Cofactor of Nitrogenase From Azotobacter Vinelandii, PDB code: 6op4:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in 6op4

Go back to Molybdenum Binding Sites List in 6op4
Molybdenum binding site 1 out of 2 in the Selenium-Incorporated, Carbon Monoxide-Inhibited, Reactivated Femo- Cofactor of Nitrogenase From Azotobacter Vinelandii


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Selenium-Incorporated, Carbon Monoxide-Inhibited, Reactivated Femo- Cofactor of Nitrogenase From Azotobacter Vinelandii within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo502

b:19.9
occ:1.00
MO1 A:ICS502 0.0 19.9 1.0
O6 A:HCA501 2.2 21.5 1.0
O7 A:HCA501 2.2 21.8 1.0
ND1 A:HIS442 2.3 17.9 1.0
S1B A:ICS502 2.4 20.0 1.0
S4B A:ICS502 2.4 20.4 1.0
S3B A:ICS502 2.4 20.5 1.0
FE6 A:ICS502 2.7 19.5 1.0
FE7 A:ICS502 2.7 20.0 1.0
FE5 A:ICS502 2.7 20.8 1.0
C7 A:HCA501 3.0 23.1 1.0
C3 A:HCA501 3.1 24.4 1.0
CE1 A:HIS442 3.2 19.5 1.0
CG A:HIS442 3.4 17.9 1.0
CX A:ICS502 3.6 19.5 1.0
CB A:HIS442 3.8 18.4 1.0
O A:HOH684 4.0 24.2 1.0
C2 A:HCA501 4.0 26.0 1.0
O5 A:HCA501 4.1 22.1 1.0
O2 A:HCA501 4.3 26.5 1.0
C4 A:HCA501 4.3 24.1 1.0
NE2 A:HIS442 4.4 19.0 1.0
C5 A:HCA501 4.5 26.4 1.0
CD2 A:HIS442 4.5 18.2 1.0
CA A:HIS442 4.6 18.7 1.0
C1 A:HCA501 4.6 26.4 1.0
S2B A:ICS502 4.8 17.9 1.0
S5A A:ICS502 4.8 18.7 1.0
S3A A:ICS502 4.9 17.1 1.0

Molybdenum binding site 2 out of 2 in 6op4

Go back to Molybdenum Binding Sites List in 6op4
Molybdenum binding site 2 out of 2 in the Selenium-Incorporated, Carbon Monoxide-Inhibited, Reactivated Femo- Cofactor of Nitrogenase From Azotobacter Vinelandii


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Selenium-Incorporated, Carbon Monoxide-Inhibited, Reactivated Femo- Cofactor of Nitrogenase From Azotobacter Vinelandii within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo502

b:19.0
occ:1.00
MO1 C:ICS502 0.0 19.0 1.0
O7 C:HCA501 2.1 20.4 1.0
O5 C:HCA501 2.2 21.2 1.0
S4B C:ICS502 2.3 18.8 1.0
ND1 C:HIS442 2.3 18.1 1.0
S1B C:ICS502 2.4 18.1 1.0
S3B C:ICS502 2.4 19.1 1.0
FE7 C:ICS502 2.6 18.3 1.0
FE6 C:ICS502 2.7 18.9 1.0
FE5 C:ICS502 2.7 19.0 1.0
C7 C:HCA501 2.9 20.4 1.0
C3 C:HCA501 3.1 21.4 1.0
CE1 C:HIS442 3.3 18.4 1.0
CG C:HIS442 3.4 17.7 1.0
CX C:ICS502 3.5 19.3 1.0
CB C:HIS442 3.6 18.4 1.0
C2 C:HCA501 4.0 22.2 1.0
O C:HOH672 4.0 14.9 1.0
O6 C:HCA501 4.1 21.9 1.0
C4 C:HCA501 4.2 21.5 1.0
O1 C:HCA501 4.3 25.0 1.0
C5 C:HCA501 4.3 22.5 1.0
NE2 C:HIS442 4.4 19.3 1.0
CD2 C:HIS442 4.5 19.2 1.0
CA C:HIS442 4.5 18.1 1.0
C1 C:HCA501 4.7 24.2 1.0
S5A C:ICS502 4.8 17.9 1.0
S2B C:ICS502 4.8 18.1 1.0
S3A C:ICS502 4.9 17.3 1.0
FE2 C:ICS502 5.0 20.0 1.0

Reference:

J.T.Henthorn, R.J.Arias, S.Koroidov, T.Kroll, D.Sokaras, U.Bergmann, D.C.Rees, S.Debeer. Localized Electronic Structure of Nitrogenase Femoco Revealed By Selenium K-Edge High Resolution X-Ray Absorption Spectroscopy. J.Am.Chem.Soc. V. 141 13676 2019.
ISSN: ESSN 1520-5126
PubMed: 31356071
DOI: 10.1021/JACS.9B06988
Page generated: Sun Oct 6 16:54:29 2024

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