Molybdenum in PDB 8bts: Nitrogenase Mofe Protein From A. Vinelandii Alpha Double Mutant C45A/L158C
Enzymatic activity of Nitrogenase Mofe Protein From A. Vinelandii Alpha Double Mutant C45A/L158C
All present enzymatic activity of Nitrogenase Mofe Protein From A. Vinelandii Alpha Double Mutant C45A/L158C:
1.18.6.1;
Protein crystallography data
The structure of Nitrogenase Mofe Protein From A. Vinelandii Alpha Double Mutant C45A/L158C, PDB code: 8bts
was solved by
T.Wagner,
N.Maslac,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
95.50 /
3.03
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
148.392,
73.444,
211.253,
90,
104.76,
90
|
R / Rfree (%)
|
20.4 /
22.3
|
Other elements in 8bts:
The structure of Nitrogenase Mofe Protein From A. Vinelandii Alpha Double Mutant C45A/L158C also contains other interesting chemical elements:
Molybdenum Binding Sites:
The binding sites of Molybdenum atom in the Nitrogenase Mofe Protein From A. Vinelandii Alpha Double Mutant C45A/L158C
(pdb code 8bts). This binding sites where shown within
5.0 Angstroms radius around Molybdenum atom.
In total 4 binding sites of Molybdenum where determined in the
Nitrogenase Mofe Protein From A. Vinelandii Alpha Double Mutant C45A/L158C, PDB code: 8bts:
Jump to Molybdenum binding site number:
1;
2;
3;
4;
Molybdenum binding site 1 out
of 4 in 8bts
Go back to
Molybdenum Binding Sites List in 8bts
Molybdenum binding site 1 out
of 4 in the Nitrogenase Mofe Protein From A. Vinelandii Alpha Double Mutant C45A/L158C
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 1 of Nitrogenase Mofe Protein From A. Vinelandii Alpha Double Mutant C45A/L158C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mo602
b:12.3
occ:1.00
|
MO1
|
A:ICS602
|
0.0
|
12.3
|
1.0
|
O7
|
A:HCA601
|
2.3
|
10.8
|
1.0
|
S1B
|
A:ICS602
|
2.3
|
12.4
|
1.0
|
S4B
|
A:ICS602
|
2.3
|
12.3
|
1.0
|
S3B
|
A:ICS602
|
2.4
|
12.4
|
1.0
|
O6
|
A:HCA601
|
2.4
|
10.7
|
1.0
|
FE6
|
A:ICS602
|
2.6
|
12.4
|
1.0
|
ND1
|
A:HIS442
|
2.6
|
16.4
|
1.0
|
FE7
|
A:ICS602
|
2.7
|
12.4
|
1.0
|
FE5
|
A:ICS602
|
2.7
|
12.4
|
1.0
|
C7
|
A:HCA601
|
3.1
|
10.7
|
1.0
|
C3
|
A:HCA601
|
3.2
|
10.8
|
1.0
|
CE1
|
A:HIS442
|
3.4
|
16.9
|
1.0
|
CX
|
A:ICS602
|
3.5
|
12.4
|
1.0
|
CG
|
A:HIS442
|
3.7
|
14.7
|
1.0
|
CB
|
A:HIS442
|
4.0
|
12.7
|
1.0
|
C2
|
A:HCA601
|
4.2
|
10.9
|
1.0
|
O2
|
A:HCA601
|
4.2
|
11.1
|
1.0
|
O5
|
A:HCA601
|
4.2
|
10.7
|
1.0
|
C4
|
A:HCA601
|
4.3
|
10.8
|
1.0
|
C5
|
A:HCA601
|
4.4
|
10.7
|
1.0
|
CA
|
A:HIS442
|
4.6
|
11.9
|
1.0
|
NE2
|
A:HIS442
|
4.6
|
16.9
|
1.0
|
C1
|
A:HCA601
|
4.7
|
11.1
|
1.0
|
S2B
|
A:ICS602
|
4.7
|
12.3
|
1.0
|
CD2
|
A:HIS442
|
4.8
|
15.8
|
1.0
|
S5A
|
A:ICS602
|
4.8
|
12.4
|
1.0
|
S3A
|
A:ICS602
|
4.9
|
12.6
|
1.0
|
FE2
|
A:ICS602
|
5.0
|
12.4
|
1.0
|
|
Molybdenum binding site 2 out
of 4 in 8bts
Go back to
Molybdenum Binding Sites List in 8bts
Molybdenum binding site 2 out
of 4 in the Nitrogenase Mofe Protein From A. Vinelandii Alpha Double Mutant C45A/L158C
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 2 of Nitrogenase Mofe Protein From A. Vinelandii Alpha Double Mutant C45A/L158C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mo602
b:56.4
occ:1.00
|
MO1
|
C:ICS602
|
0.0
|
56.4
|
1.0
|
S1B
|
C:ICS602
|
2.3
|
56.2
|
1.0
|
S3B
|
C:ICS602
|
2.4
|
56.4
|
1.0
|
S4B
|
C:ICS602
|
2.4
|
56.3
|
1.0
|
O5
|
C:HCA601
|
2.5
|
36.3
|
1.0
|
FE6
|
C:ICS602
|
2.6
|
56.6
|
1.0
|
FE7
|
C:ICS602
|
2.7
|
56.4
|
1.0
|
ND1
|
C:HIS442
|
2.7
|
40.3
|
1.0
|
FE5
|
C:ICS602
|
2.8
|
56.3
|
1.0
|
O7
|
C:HCA601
|
2.8
|
36.3
|
1.0
|
C7
|
C:HCA601
|
3.3
|
36.4
|
1.0
|
CX
|
C:ICS602
|
3.5
|
56.6
|
1.0
|
C3
|
C:HCA601
|
3.6
|
36.3
|
1.0
|
CG
|
C:HIS442
|
3.6
|
38.4
|
1.0
|
CE1
|
C:HIS442
|
3.6
|
40.9
|
1.0
|
CB
|
C:HIS442
|
3.8
|
35.9
|
1.0
|
O1
|
C:HCA601
|
4.2
|
36.3
|
1.0
|
O6
|
C:HCA601
|
4.3
|
36.5
|
1.0
|
C5
|
C:HCA601
|
4.5
|
36.2
|
1.0
|
C2
|
C:HCA601
|
4.6
|
36.3
|
1.0
|
CA
|
C:HIS442
|
4.6
|
34.8
|
1.0
|
C4
|
C:HCA601
|
4.7
|
36.3
|
1.0
|
S2B
|
C:ICS602
|
4.7
|
56.5
|
1.0
|
NE2
|
C:HIS442
|
4.8
|
40.8
|
1.0
|
CD2
|
C:HIS442
|
4.8
|
39.6
|
1.0
|
S5A
|
C:ICS602
|
4.8
|
56.4
|
1.0
|
C1
|
C:HCA601
|
4.9
|
36.4
|
1.0
|
S3A
|
C:ICS602
|
5.0
|
56.4
|
1.0
|
|
Molybdenum binding site 3 out
of 4 in 8bts
Go back to
Molybdenum Binding Sites List in 8bts
Molybdenum binding site 3 out
of 4 in the Nitrogenase Mofe Protein From A. Vinelandii Alpha Double Mutant C45A/L158C
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 3 of Nitrogenase Mofe Protein From A. Vinelandii Alpha Double Mutant C45A/L158C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Mo602
b:62.4
occ:1.00
|
MO1
|
H:ICS602
|
0.0
|
62.4
|
1.0
|
S1B
|
H:ICS602
|
2.3
|
62.2
|
1.0
|
S4B
|
H:ICS602
|
2.4
|
62.4
|
1.0
|
S3B
|
H:ICS602
|
2.4
|
62.4
|
1.0
|
O5
|
H:HCA601
|
2.5
|
51.5
|
1.0
|
O7
|
H:HCA601
|
2.7
|
51.5
|
1.0
|
FE5
|
H:ICS602
|
2.7
|
62.4
|
1.0
|
FE6
|
H:ICS602
|
2.7
|
62.4
|
1.0
|
FE7
|
H:ICS602
|
2.7
|
62.3
|
1.0
|
ND1
|
H:HIS442
|
2.8
|
39.8
|
1.0
|
C7
|
H:HCA601
|
3.4
|
51.5
|
1.0
|
CE1
|
H:HIS442
|
3.6
|
40.3
|
1.0
|
CX
|
H:ICS602
|
3.6
|
62.2
|
1.0
|
C3
|
H:HCA601
|
3.6
|
51.6
|
1.0
|
CG
|
H:HIS442
|
3.8
|
38.0
|
1.0
|
CB
|
H:HIS442
|
4.1
|
35.7
|
1.0
|
C5
|
H:HCA601
|
4.3
|
51.6
|
1.0
|
C4
|
H:HCA601
|
4.5
|
51.6
|
1.0
|
O6
|
H:HCA601
|
4.5
|
51.6
|
1.0
|
O1
|
H:HCA601
|
4.7
|
51.6
|
1.0
|
C2
|
H:HCA601
|
4.7
|
51.6
|
1.0
|
NE2
|
H:HIS442
|
4.8
|
40.2
|
1.0
|
S2B
|
H:ICS602
|
4.8
|
61.9
|
1.0
|
CA
|
H:HIS442
|
4.9
|
34.8
|
1.0
|
S5A
|
H:ICS602
|
4.9
|
62.2
|
1.0
|
S3A
|
H:ICS602
|
4.9
|
62.6
|
1.0
|
CD2
|
H:HIS442
|
4.9
|
39.1
|
1.0
|
|
Molybdenum binding site 4 out
of 4 in 8bts
Go back to
Molybdenum Binding Sites List in 8bts
Molybdenum binding site 4 out
of 4 in the Nitrogenase Mofe Protein From A. Vinelandii Alpha Double Mutant C45A/L158C
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 4 of Nitrogenase Mofe Protein From A. Vinelandii Alpha Double Mutant C45A/L158C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mo602
b:15.1
occ:1.00
|
MO1
|
J:ICS602
|
0.0
|
15.1
|
1.0
|
O7
|
J:HCA601
|
2.3
|
16.6
|
1.0
|
S4B
|
J:ICS602
|
2.3
|
15.4
|
1.0
|
S1B
|
J:ICS602
|
2.3
|
15.2
|
1.0
|
O6
|
J:HCA601
|
2.4
|
16.6
|
1.0
|
S3B
|
J:ICS602
|
2.4
|
15.3
|
1.0
|
FE7
|
J:ICS602
|
2.6
|
15.3
|
1.0
|
FE6
|
J:ICS602
|
2.6
|
15.3
|
1.0
|
FE5
|
J:ICS602
|
2.7
|
15.1
|
1.0
|
ND1
|
J:HIS442
|
2.7
|
24.4
|
1.0
|
C7
|
J:HCA601
|
3.1
|
16.7
|
1.0
|
C3
|
J:HCA601
|
3.2
|
16.6
|
1.0
|
CX
|
J:ICS602
|
3.5
|
15.1
|
1.0
|
CE1
|
J:HIS442
|
3.7
|
24.9
|
1.0
|
CG
|
J:HIS442
|
3.7
|
22.5
|
1.0
|
CB
|
J:HIS442
|
3.9
|
19.9
|
1.0
|
O2
|
J:HCA601
|
4.1
|
16.4
|
1.0
|
C2
|
J:HCA601
|
4.2
|
16.5
|
1.0
|
C5
|
J:HCA601
|
4.2
|
16.4
|
1.0
|
C4
|
J:HCA601
|
4.3
|
16.5
|
1.0
|
O5
|
J:HCA601
|
4.3
|
16.8
|
1.0
|
C1
|
J:HCA601
|
4.6
|
16.5
|
1.0
|
CA
|
J:HIS442
|
4.7
|
19.0
|
1.0
|
S5A
|
J:ICS602
|
4.7
|
15.1
|
1.0
|
S2B
|
J:ICS602
|
4.7
|
15.2
|
1.0
|
NE2
|
J:HIS442
|
4.8
|
24.9
|
1.0
|
CD2
|
J:HIS442
|
4.8
|
23.8
|
1.0
|
S3A
|
J:ICS602
|
4.9
|
15.1
|
1.0
|
FE3
|
J:ICS602
|
5.0
|
15.2
|
1.0
|
|
Reference:
C.Cadoux,
D.Ratcliff,
N.Maslac,
W.Gu,
I.Tsakoumagkos,
S.Hoogendoorn,
T.Wagner,
R.D.Milton.
Nitrogen Fixation and Hydrogen Evolution By Sterically Encumbered Mo-Nitrogenase. Jacs Au V. 3 1521 2023.
ISSN: ESSN 2691-3704
PubMed: 37234119
DOI: 10.1021/JACSAU.3C00165
Page generated: Sun Oct 6 17:06:51 2024
|