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Molybdenum in PDB 4wna: Structure of the Nitrogenase Mofe Protein From Azotobacter Vinelandii Pressurized with Xenon

Enzymatic activity of Structure of the Nitrogenase Mofe Protein From Azotobacter Vinelandii Pressurized with Xenon

All present enzymatic activity of Structure of the Nitrogenase Mofe Protein From Azotobacter Vinelandii Pressurized with Xenon:
1.18.6.1;

Protein crystallography data

The structure of Structure of the Nitrogenase Mofe Protein From Azotobacter Vinelandii Pressurized with Xenon, PDB code: 4wna was solved by C.N.Morrison, J.A.Hoy, L.Zhang, O.Einsle, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 101.72 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 77.123, 129.780, 107.543, 90.00, 108.94, 90.00
R / Rfree (%) 16.7 / 21.9

Other elements in 4wna:

The structure of Structure of the Nitrogenase Mofe Protein From Azotobacter Vinelandii Pressurized with Xenon also contains other interesting chemical elements:

Iron (Fe) 36 atoms
Xenon (Xe) 6 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Structure of the Nitrogenase Mofe Protein From Azotobacter Vinelandii Pressurized with Xenon (pdb code 4wna). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Structure of the Nitrogenase Mofe Protein From Azotobacter Vinelandii Pressurized with Xenon, PDB code: 4wna:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in 4wna

Go back to Molybdenum Binding Sites List in 4wna
Molybdenum binding site 1 out of 2 in the Structure of the Nitrogenase Mofe Protein From Azotobacter Vinelandii Pressurized with Xenon


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Structure of the Nitrogenase Mofe Protein From Azotobacter Vinelandii Pressurized with Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo502

b:17.1
occ:1.00
MO1 A:ICS502 0.0 17.1 1.0
O7 A:HCA501 2.1 18.4 1.0
O5 A:HCA501 2.2 20.1 1.0
S4B A:ICS502 2.3 18.4 1.0
S3B A:ICS502 2.3 18.8 1.0
S1B A:ICS502 2.4 21.7 1.0
ND1 A:HIS442 2.4 15.9 1.0
FE6 A:ICS502 2.6 17.2 1.0
FE7 A:ICS502 2.6 17.1 1.0
FE5 A:ICS502 2.7 18.0 1.0
C7 A:HCA501 2.9 19.1 1.0
C3 A:HCA501 3.0 20.8 1.0
CE1 A:HIS442 3.2 17.0 1.0
CG A:HIS442 3.4 15.3 1.0
CX A:ICS502 3.5 16.2 1.0
CB A:HIS442 3.8 17.1 1.0
C2 A:HCA501 4.0 23.7 1.0
O6 A:HCA501 4.1 16.5 1.0
C4 A:HCA501 4.1 20.2 1.0
O1 A:HCA501 4.3 26.6 1.0
O A:HOH675 4.3 19.0 1.0
C5 A:HCA501 4.4 18.8 1.0
NE2 A:HIS442 4.4 16.1 1.0
CD2 A:HIS442 4.5 18.1 1.0
CA A:HIS442 4.6 16.9 1.0
C1 A:HCA501 4.7 27.3 1.0
S2B A:ICS502 4.7 20.0 1.0
S5A A:ICS502 4.8 15.9 1.0
S3A A:ICS502 4.9 19.6 1.0

Molybdenum binding site 2 out of 2 in 4wna

Go back to Molybdenum Binding Sites List in 4wna
Molybdenum binding site 2 out of 2 in the Structure of the Nitrogenase Mofe Protein From Azotobacter Vinelandii Pressurized with Xenon


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Structure of the Nitrogenase Mofe Protein From Azotobacter Vinelandii Pressurized with Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo502

b:18.1
occ:1.00
MO1 C:ICS502 0.0 18.1 1.0
O7 C:HCA501 2.1 19.8 1.0
O5 C:HCA501 2.3 13.0 1.0
S3B C:ICS502 2.3 17.7 1.0
S4B C:ICS502 2.3 17.9 1.0
ND1 C:HIS442 2.4 16.7 1.0
S1B C:ICS502 2.4 18.4 1.0
FE7 C:ICS502 2.7 17.7 1.0
FE6 C:ICS502 2.7 18.2 1.0
FE5 C:ICS502 2.7 19.8 1.0
C7 C:HCA501 3.0 17.6 1.0
C3 C:HCA501 3.0 19.9 1.0
CE1 C:HIS442 3.2 16.7 1.0
CG C:HIS442 3.4 14.6 1.0
CX C:ICS502 3.5 16.2 1.0
CB C:HIS442 3.8 16.7 1.0
C2 C:HCA501 3.9 24.4 1.0
O C:HOH694 4.1 21.2 1.0
C4 C:HCA501 4.2 21.9 1.0
O6 C:HCA501 4.2 18.2 1.0
O1 C:HCA501 4.3 30.6 1.0
NE2 C:HIS442 4.4 17.0 1.0
C5 C:HCA501 4.5 21.1 1.0
CD2 C:HIS442 4.5 16.2 1.0
CA C:HIS442 4.5 14.9 1.0
C1 C:HCA501 4.6 25.2 1.0
S2B C:ICS502 4.8 18.2 1.0
S5A C:ICS502 4.8 16.4 1.0
S3A C:ICS502 4.9 18.2 1.0

Reference:

C.N.Morrison, J.A.Hoy, L.Zhang, O.Einsle, D.C.Rees. Substrate Pathways in the Nitrogenase Mofe Protein By Experimental Identification of Small Molecule Binding Sites. Biochemistry 2015.
ISSN: ISSN 0006-2960
PubMed: 25710326
DOI: 10.1021/BI501313K
Page generated: Tue Dec 15 05:19:20 2020

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