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Calcium 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

Other elements in 3k1a:

The structure of Insights Into Substrate Binding at Femo-Cofactor in Nitrogenase From the Structure of An Alpha-70ILE Mofe Protein Variant also contains other interesting chemical elements:

Molybdenum (Mo) 2 atoms
Iron (Fe) 30 atoms

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium 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 Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 3k1a

Go back to Calcium Binding Sites List in 3k1a
Calcium 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 Calcium with other atoms in the Ca 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
B:Ca524

b:57.1
occ:1.00
O D:ARG108 2.2 26.9 1.0
OD2 B:ASP357 2.2 36.6 1.0
OD2 B:ASP353 2.3 36.1 1.0
OE2 D:GLU109 2.4 40.4 1.0
O B:HOH835 2.6 35.5 1.0
CG B:ASP357 3.3 34.4 1.0
C D:ARG108 3.4 28.7 1.0
CG B:ASP353 3.4 33.6 1.0
CD D:GLU109 3.4 31.6 1.0
OD1 B:ASP357 3.7 32.1 1.0
CG D:GLU109 3.8 36.9 1.0
OD1 B:ASP353 3.8 37.4 1.0
CB D:ARG108 4.0 29.7 1.0
O D:PHE107 4.1 28.7 1.0
N D:GLU109 4.3 30.7 1.0
CA D:ARG108 4.3 29.3 1.0
CA D:GLU109 4.4 31.8 1.0
NZ C:LYS433 4.4 33.5 1.0
O D:HOH555 4.4 28.8 1.0
O D:HOH605 4.4 30.7 1.0
O B:ASP353 4.4 29.8 1.0
OE1 D:GLU109 4.5 42.8 1.0
CB B:ASP357 4.6 29.0 1.0
CB B:ASP353 4.6 29.3 1.0
CD1 C:PHE429 4.7 34.0 1.0
CB D:GLU109 4.7 32.7 1.0
C B:ASP353 4.8 29.6 1.0
CE C:LYS433 4.9 32.5 1.0
O D:HOH705 4.9 35.5 1.0

Calcium binding site 2 out of 2 in 3k1a

Go back to Calcium Binding Sites List in 3k1a
Calcium 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 Calcium with other atoms in the Ca 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
D:Ca524

b:61.7
occ:1.00
OD2 D:ASP357 2.2 37.4 1.0
O B:ARG108 2.2 34.3 1.0
O D:HOH599 2.3 37.2 1.0
OD2 D:ASP353 2.3 39.4 1.0
OE2 B:GLU109 2.6 44.7 1.0
CG D:ASP357 3.1 29.7 1.0
CG D:ASP353 3.2 38.5 1.0
OD1 D:ASP357 3.4 34.8 1.0
C B:ARG108 3.4 33.5 1.0
OD1 D:ASP353 3.4 43.2 1.0
CD B:GLU109 3.6 42.0 1.0
CG B:GLU109 3.9 41.9 1.0
CB B:ARG108 4.1 33.4 1.0
O B:PHE107 4.3 33.8 1.0
N B:GLU109 4.3 34.1 1.0
CA B:GLU109 4.4 35.4 1.0
CA B:ARG108 4.4 33.7 1.0
NZ A:LYS433 4.4 42.1 1.0
O D:ASP353 4.4 31.1 1.0
O B:HOH570 4.5 31.7 1.0
CB D:ASP353 4.5 31.8 1.0
CB D:ASP357 4.5 29.1 1.0
CD1 A:PHE429 4.5 38.3 1.0
O B:HOH658 4.6 31.8 1.0
OE1 B:GLU109 4.7 51.5 1.0
CB B:GLU109 4.7 36.9 1.0
C D:ASP353 4.8 30.4 1.0
O B:HOH695 4.8 33.2 1.0
CE A:LYS433 4.8 36.4 1.0
CE1 A:PHE429 5.0 35.3 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: Sat Dec 12 04:16:35 2020

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