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Molybdenum in PDB 1m1y: Chemical Crosslink of Nitrogenase Mofe Protein and Fe Protein

Enzymatic activity of Chemical Crosslink of Nitrogenase Mofe Protein and Fe Protein

All present enzymatic activity of Chemical Crosslink of Nitrogenase Mofe Protein and Fe Protein:
1.18.6.1;

Protein crystallography data

The structure of Chemical Crosslink of Nitrogenase Mofe Protein and Fe Protein, PDB code: 1m1y was solved by B.Schmid, O.Einsle, H.J.Chiu, A.Willing, M.Yoshida, J.B.Howard, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 3.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 113.267, 214.937, 320.466, 90.00, 90.00, 90.00
R / Rfree (%) 27.9 / 32.9

Other elements in 1m1y:

The structure of Chemical Crosslink of Nitrogenase Mofe Protein and Fe Protein also contains other interesting chemical elements:

Iron (Fe) 76 atoms
Calcium (Ca) 4 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Chemical Crosslink of Nitrogenase Mofe Protein and Fe Protein (pdb code 1m1y). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 4 binding sites of Molybdenum where determined in the Chemical Crosslink of Nitrogenase Mofe Protein and Fe Protein, PDB code: 1m1y:
Jump to Molybdenum binding site number: 1; 2; 3; 4;

Molybdenum binding site 1 out of 4 in 1m1y

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Molybdenum binding site 1 out of 4 in the Chemical Crosslink of Nitrogenase Mofe Protein and Fe Protein


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Chemical Crosslink of Nitrogenase Mofe Protein and Fe Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo6496

b:20.0
occ:1.00
 MO1 A:CFM6496 0.0 20.0 1.0
O7 A:HCA6494 2.0 20.0 1.0
O5 A:HCA6494 2.2 20.0 1.0
S4B A:CFM6496 2.3 20.0 1.0
S3B A:CFM6496 2.3 20.0 1.0
ND1 A:HIS442 2.3 36.5 1.0
S1B A:CFM6496 2.4 20.0 1.0
FE6 A:CFM6496 2.4 20.0 1.0
FE5 A:CFM6496 2.5 20.0 1.0
CE1 A:HIS442 2.6 36.5 1.0
FE7 A:CFM6496 2.7 20.0 1.0
C7 A:HCA6494 2.9 20.0 1.0
C3 A:HCA6494 3.0 20.0 1.0
CG A:HIS442 3.7 36.5 1.0
NE2 A:HIS442 3.9 36.5 1.0
C4 A:HCA6494 3.9 20.0 1.0
C2 A:HCA6494 4.1 20.0 1.0
O2 A:HCA6494 4.1 20.0 1.0
O6 A:HCA6494 4.2 20.0 1.0
S3A A:CFM6496 4.4 20.0 1.0
CD2 A:HIS442 4.4 36.5 1.0
CB A:HIS442 4.5 36.5 1.0
S2B A:CFM6496 4.5 20.0 1.0
FE3 A:CFM6496 4.6 20.0 1.0
C1 A:HCA6494 4.6 20.0 1.0
C5 A:HCA6494 4.6 20.0 1.0
FE2 A:CFM6496 4.7 20.0 1.0
FE4 A:CFM6496 4.8 20.0 1.0
CA A:HIS442 4.9 34.6 1.0
S5 A:CFM6496 5.0 20.0 1.0

Molybdenum binding site 2 out of 4 in 1m1y

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Molybdenum binding site 2 out of 4 in the Chemical Crosslink of Nitrogenase Mofe Protein and Fe Protein


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Chemical Crosslink of Nitrogenase Mofe Protein and Fe Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo7496

b:20.0
occ:1.00
 MO1 C:CFM7496 0.0 20.0 1.0
O7 C:HCA7494 1.9 20.0 1.0
ND1 C:HIS442 2.1 57.3 1.0
CE1 C:HIS442 2.1 57.3 1.0
O5 C:HCA7494 2.2 20.0 1.0
S4B C:CFM7496 2.3 20.0 1.0
S1B C:CFM7496 2.3 20.0 1.0
S3B C:CFM7496 2.4 20.0 1.0
FE5 C:CFM7496 2.6 20.0 1.0
FE6 C:CFM7496 2.6 20.0 1.0
FE7 C:CFM7496 2.8 20.0 1.0
C7 C:HCA7494 2.9 20.0 1.0
C3 C:HCA7494 3.0 20.0 1.0
NE2 C:HIS442 3.4 57.3 1.0
CG C:HIS442 3.5 57.3 1.0
C4 C:HCA7494 3.9 20.0 1.0
CD2 C:HIS442 4.1 57.3 1.0
O2 C:HCA7494 4.1 20.0 1.0
C2 C:HCA7494 4.1 20.0 1.0
O6 C:HCA7494 4.2 20.0 1.0
S3A C:CFM7496 4.2 20.0 1.0
CB C:HIS442 4.5 57.3 1.0
C5 C:HCA7494 4.5 20.0 1.0
FE3 C:CFM7496 4.6 20.0 1.0
C1 C:HCA7494 4.6 20.0 1.0
S2B C:CFM7496 4.7 20.0 1.0
FE2 C:CFM7496 4.8 20.0 1.0
CA C:HIS442 4.8 52.3 1.0
FE4 C:CFM7496 4.8 20.0 1.0
S5 C:CFM7496 5.0 20.0 1.0

Molybdenum binding site 3 out of 4 in 1m1y

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Molybdenum binding site 3 out of 4 in the Chemical Crosslink of Nitrogenase Mofe Protein and Fe Protein


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Chemical Crosslink of Nitrogenase Mofe Protein and Fe Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mo8496

b:20.0
occ:1.00
 MO1 I:CFM8496 0.0 20.0 1.0
O7 I:HCA8494 2.1 20.0 1.0
ND1 I:HIS442 2.1 62.2 1.0
O5 I:HCA8494 2.2 20.0 1.0
S4B I:CFM8496 2.3 20.0 1.0
S1B I:CFM8496 2.4 20.0 1.0
CE1 I:HIS442 2.4 62.2 1.0
S3B I:CFM8496 2.4 20.0 1.0
FE5 I:CFM8496 2.6 20.0 1.0
FE6 I:CFM8496 2.7 20.0 1.0
FE7 I:CFM8496 2.8 20.0 1.0
C7 I:HCA8494 3.0 20.0 1.0
C3 I:HCA8494 3.0 20.0 1.0
CG I:HIS442 3.5 62.2 1.0
NE2 I:HIS442 3.7 62.2 1.0
C4 I:HCA8494 3.9 20.0 1.0
S3A I:CFM8496 4.1 20.0 1.0
O6 I:HCA8494 4.2 20.0 1.0
C2 I:HCA8494 4.2 20.0 1.0
CD2 I:HIS442 4.2 62.2 1.0
O2 I:HCA8494 4.3 20.0 1.0
CB I:HIS442 4.3 62.2 1.0
C5 I:HCA8494 4.5 20.0 1.0
CA I:HIS442 4.7 50.8 1.0
C1 I:HCA8494 4.8 20.0 1.0
S2B I:CFM8496 4.8 20.0 1.0
FE3 I:CFM8496 4.8 20.0 1.0
FE4 I:CFM8496 4.9 20.0 1.0
CG2 I:ILE355 4.9 41.8 1.0
FE2 I:CFM8496 4.9 20.0 1.0

Molybdenum binding site 4 out of 4 in 1m1y

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Molybdenum binding site 4 out of 4 in the Chemical Crosslink of Nitrogenase Mofe Protein and Fe Protein


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Chemical Crosslink of Nitrogenase Mofe Protein and Fe Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Mo9496

b:20.0
occ:1.00
 MO1 K:CFM9496 0.0 20.0 1.0
O7 K:HCA9494 2.1 20.0 1.0
ND1 K:HIS442 2.1 43.2 1.0
CE1 K:HIS442 2.1 43.2 1.0
O5 K:HCA9494 2.3 20.0 1.0
S4B K:CFM9496 2.3 20.0 1.0
S3B K:CFM9496 2.4 20.0 1.0
S1B K:CFM9496 2.4 20.0 1.0
FE5 K:CFM9496 2.5 20.0 1.0
FE6 K:CFM9496 2.6 20.0 1.0
FE7 K:CFM9496 2.8 20.0 1.0
C7 K:HCA9494 3.0 20.0 1.0
C3 K:HCA9494 3.1 20.0 1.0
NE2 K:HIS442 3.5 43.2 1.0
CG K:HIS442 3.5 43.2 1.0
C4 K:HCA9494 3.9 20.0 1.0
CD2 K:HIS442 4.1 43.2 1.0
O2 K:HCA9494 4.1 20.0 1.0
S3A K:CFM9496 4.1 20.0 1.0
C2 K:HCA9494 4.2 20.0 1.0
O6 K:HCA9494 4.3 20.0 1.0
CB K:HIS442 4.4 43.2 1.0
C5 K:HCA9494 4.6 20.0 1.0
FE3 K:CFM9496 4.7 20.0 1.0
C1 K:HCA9494 4.7 20.0 1.0
S2B K:CFM9496 4.7 20.0 1.0
CA K:HIS442 4.8 52.2 1.0
FE2 K:CFM9496 4.8 20.0 1.0
FE4 K:CFM9496 4.9 20.0 1.0
CG2 K:ILE355 5.0 41.5 1.0

Reference:

B.Schmid, O.Einsle, H.J.Chiu, A.Willing, M.Yoshida, J.B.Howard, D.C.Rees. Biochemical and Structural Characterization of the Crosslinked Complex of Nitrogenase: Comparison to the Adp-ALF4- Stabilized Structure Biochemistry V. 41 15557 2002.
ISSN: ISSN 0006-2960
PubMed: 12501184
DOI: 10.1021/BI026642B
Page generated: Sun Oct 6 15:24:10 2024

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