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Molybdenum in PDB 3k1a: Insights Into Substrate Binding at Femo-Cofactor in Nitrogenase From the Structure of An Alpha-70ILE Mofe Protein Variant

Enzymatic activity of Insights Into Substrate Binding at Femo-Cofactor in Nitrogenase From the Structure of An Alpha-70ILE Mofe Protein Variant

All present enzymatic activity of Insights Into Substrate Binding at Femo-Cofactor in Nitrogenase From the Structure of An Alpha-70ILE Mofe Protein Variant:
1.18.6.1;

Protein crystallography data

The structure of Insights Into Substrate Binding at Femo-Cofactor in Nitrogenase From the Structure of An Alpha-70ILE Mofe Protein Variant, PDB code: 3k1a was solved by J.W.Peters, R.Sarma, B.M.Barney, S.Keable, L.C.Seefeldt, D.R.Dean, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.23
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 77.019, 129.458, 107.088, 90.00, 109.01, 90.00
R / Rfree (%) 20.4 / 25.4

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Insights Into Substrate Binding at Femo-Cofactor in Nitrogenase From the Structure of An Alpha-70ILE Mofe Protein Variant (pdb code 3k1a). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Insights Into Substrate Binding at Femo-Cofactor in Nitrogenase From the Structure of An Alpha-70ILE Mofe Protein Variant, PDB code: 3k1a:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in 3k1a

Go back to Molybdenum Binding Sites List in 3k1a
Molybdenum binding site 1 out of 2 in the Insights Into Substrate Binding at Femo-Cofactor in Nitrogenase From the Structure of An Alpha-70ILE Mofe Protein Variant


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Insights Into Substrate Binding at Femo-Cofactor in Nitrogenase From the Structure of An Alpha-70ILE Mofe Protein Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo6496

b:28.4
occ:1.00
MO1 A:CFN6496 0.0 28.4 1.0
O7 A:HCA494 2.2 32.0 1.0
O5 A:HCA494 2.2 31.8 1.0
S4B A:CFN6496 2.2 28.7 1.0
S3B A:CFN6496 2.3 25.4 1.0
S1B A:CFN6496 2.3 27.2 1.0
ND1 A:HIS442 2.5 18.5 1.0
FE7 A:CFN6496 2.6 23.3 1.0
FE5 A:CFN6496 2.6 27.3 1.0
FE6 A:CFN6496 2.6 22.9 1.0
C7 A:HCA494 3.0 37.5 1.0
C3 A:HCA494 3.1 34.8 1.0
CE1 A:HIS442 3.3 23.0 1.0
NX A:CFN6496 3.4 22.3 1.0
CG A:HIS442 3.5 24.7 1.0
CB A:HIS442 3.9 28.2 1.0
C2 A:HCA494 4.0 27.4 1.0
O6 A:HCA494 4.1 30.6 1.0
O A:HOH497 4.2 19.8 1.0
C4 A:HCA494 4.3 34.0 1.0
NE2 A:HIS442 4.4 20.0 1.0
O2 A:HCA494 4.4 29.2 1.0
CD2 A:HIS442 4.6 26.0 1.0
CA A:HIS442 4.6 27.4 1.0
C5 A:HCA494 4.6 28.5 1.0
C1 A:HCA494 4.7 33.4 1.0
S5A A:CFN6496 4.7 29.1 1.0
S2B A:CFN6496 4.8 42.8 1.0
S3A A:CFN6496 4.8 26.0 1.0
FE2 A:CFN6496 4.8 25.1 1.0
FE3 A:CFN6496 4.9 29.1 1.0
FE4 A:CFN6496 4.9 24.9 1.0

Molybdenum binding site 2 out of 2 in 3k1a

Go back to Molybdenum Binding Sites List in 3k1a
Molybdenum binding site 2 out of 2 in the Insights Into Substrate Binding at Femo-Cofactor in Nitrogenase From the Structure of An Alpha-70ILE Mofe Protein Variant


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Insights Into Substrate Binding at Femo-Cofactor in Nitrogenase From the Structure of An Alpha-70ILE Mofe Protein Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo7496

b:29.6
occ:1.00
MO1 C:CFN7496 0.0 29.6 1.0
O5 C:HCA494 2.2 32.3 1.0
S3B C:CFN7496 2.2 27.3 1.0
O7 C:HCA494 2.3 30.7 1.0
S4B C:CFN7496 2.3 26.0 1.0
S1B C:CFN7496 2.3 25.8 1.0
ND1 C:HIS442 2.4 26.3 1.0
FE7 C:CFN7496 2.6 23.6 1.0
FE6 C:CFN7496 2.6 24.1 1.0
FE5 C:CFN7496 2.6 25.5 1.0
C7 C:HCA494 3.0 39.8 1.0
CE1 C:HIS442 3.2 25.5 1.0
C3 C:HCA494 3.2 33.7 1.0
NX C:CFN7496 3.4 18.9 1.0
CG C:HIS442 3.5 26.6 1.0
CB C:HIS442 4.0 30.7 1.0
C2 C:HCA494 4.0 33.4 1.0
O C:HOH502 4.1 27.9 1.0
O6 C:HCA494 4.2 30.8 1.0
C4 C:HCA494 4.3 34.8 1.0
NE2 C:HIS442 4.3 28.5 1.0
O1 C:HCA494 4.4 33.5 1.0
CD2 C:HIS442 4.5 19.2 1.0
CA C:HIS442 4.6 28.8 1.0
C5 C:HCA494 4.7 34.1 1.0
C1 C:HCA494 4.7 33.6 1.0
S5A C:CFN7496 4.7 27.8 1.0
S2B C:CFN7496 4.7 38.8 1.0
S3A C:CFN7496 4.8 24.4 1.0
FE2 C:CFN7496 4.8 25.9 1.0
FE3 C:CFN7496 4.9 27.0 1.0
FE4 C:CFN7496 4.9 25.5 1.0

Reference:

R.Sarma, B.M.Barney, S.Keable, D.R.Dean, L.C.Seefeldt, J.W.Peters. Insights Into Substrate Binding at Femo-Cofactor in Nitrogenase From the Structure of An Alpha-70(Ile) Mofe Protein Variant J.Inorg.Biochem. V. 104 385 2010.
ISSN: ISSN 0162-0134
PubMed: 20022118
DOI: 10.1016/J.JINORGBIO.2009.11.009
Page generated: Wed Sep 23 13:41:32 2020
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