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Molybdenum in PDB 3u7q: A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution

Enzymatic activity of A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution

All present enzymatic activity of A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution:
1.18.6.1;

Protein crystallography data

The structure of A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution, PDB code: 3u7q was solved by T.Spatzal, O.Einsle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.46 / 1.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 81.190, 130.696, 107.224, 90.00, 110.67, 90.00
R / Rfree (%) 12.8 / 14.6

Other elements in 3u7q:

The structure of A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Iron (Fe) 46 atoms
Calcium (Ca) 2 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution (pdb code 3u7q). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution, PDB code: 3u7q:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in 3u7q

Go back to Molybdenum Binding Sites List in 3u7q
Molybdenum binding site 1 out of 2 in the A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo6496

b:6.0
occ:1.00
MO1 A:ICS6496 0.0 6.0 1.0
O7 A:HCA6494 2.2 6.0 1.0
O5 A:HCA6494 2.2 5.8 1.0
ND1 A:HIS442 2.3 5.5 1.0
S1B A:ICS6496 2.3 5.5 1.0
S4B A:ICS6496 2.4 5.8 1.0
S3B A:ICS6496 2.4 5.8 1.0
FE6 A:ICS6496 2.7 5.6 1.0
FE7 A:ICS6496 2.7 5.7 1.0
FE5 A:ICS6496 2.7 5.5 1.0
C7 A:HCA6494 3.0 6.0 1.0
C3 A:HCA6494 3.1 5.9 1.0
CE1 A:HIS442 3.3 5.5 1.0
CG A:HIS442 3.4 5.8 1.0
CX A:ICS6496 3.5 7.0 1.0
CB A:HIS442 3.7 5.9 1.0
C2 A:HCA6494 4.1 6.3 1.0
O A:HOH519 4.2 9.3 1.0
O6 A:HCA6494 4.2 6.4 1.0
C5 A:HCA6494 4.2 6.6 1.0
C4 A:HCA6494 4.3 6.3 1.0
O1 A:HCA6494 4.3 7.5 1.0
NE2 A:HIS442 4.4 5.8 1.0
CD2 A:HIS442 4.5 6.2 1.0
CA A:HIS442 4.6 6.0 1.0
C1 A:HCA6494 4.7 6.8 1.0
S2B A:ICS6496 4.8 5.9 1.0
S5A A:ICS6496 4.8 6.2 1.0
S3A A:ICS6496 4.9 5.7 1.0

Molybdenum binding site 2 out of 2 in 3u7q

Go back to Molybdenum Binding Sites List in 3u7q
Molybdenum binding site 2 out of 2 in the A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo7496

b:6.0
occ:1.00
MO1 C:ICS7496 0.0 6.0 1.0
O7 C:HCA7494 2.2 5.8 1.0
O5 C:HCA7494 2.2 6.2 1.0
ND1 C:HIS442 2.3 7.2 1.0
S4B C:ICS7496 2.4 5.9 1.0
S1B C:ICS7496 2.4 5.7 1.0
S3B C:ICS7496 2.4 5.9 1.0
FE6 C:ICS7496 2.7 5.6 1.0
FE7 C:ICS7496 2.7 5.7 1.0
FE5 C:ICS7496 2.7 5.5 1.0
C7 C:HCA7494 3.0 6.0 1.0
C3 C:HCA7494 3.1 5.9 1.0
CE1 C:HIS442 3.3 4.7 1.0
CG C:HIS442 3.4 5.8 1.0
CX C:ICS7496 3.5 6.9 1.0
CB C:HIS442 3.7 5.8 1.0
C2 C:HCA7494 4.1 6.4 1.0
O C:HOH497 4.2 9.1 1.0
O6 C:HCA7494 4.2 6.4 1.0
C4 C:HCA7494 4.2 6.0 1.0
C5 C:HCA7494 4.2 6.6 1.0
O1 C:HCA7494 4.3 7.7 1.0
NE2 C:HIS442 4.4 7.5 1.0
CD2 C:HIS442 4.5 4.5 1.0
CA C:HIS442 4.6 5.7 1.0
C1 C:HCA7494 4.7 6.5 1.0
S2B C:ICS7496 4.8 6.0 1.0
S5A C:ICS7496 4.8 6.2 1.0
S3A C:ICS7496 4.9 5.8 1.0

Reference:

T.Spatzal, M.Aksoyoglu, L.Zhang, S.L.Andrade, E.Schleicher, S.Weber, D.C.Rees, O.Einsle. Evidence For Interstitial Carbon in Nitrogenase Femo Cofactor. Science V. 334 940 2011.
ISSN: ISSN 0036-8075
PubMed: 22096190
DOI: 10.1126/SCIENCE.1214025
Page generated: Tue Dec 15 05:18:30 2020

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