Fluorine in PDB 2ynm: Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A
Enzymatic activity of Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A
All present enzymatic activity of Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A:
1.3.7.7;
Protein crystallography data
The structure of Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A, PDB code: 2ynm
was solved by
J.Krausze,
C.Lange,
D.W.Heinz,
J.Moser,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
34.510 /
2.10
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
308.400,
74.110,
74.230,
90.00,
91.24,
90.00
|
R / Rfree (%)
|
19.89 /
23.31
|
Other elements in 2ynm:
The structure of Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A
(pdb code 2ynm). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the
Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A, PDB code: 2ynm:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 2ynm
Go back to
Fluorine Binding Sites List in 2ynm
Fluorine binding site 1 out
of 6 in the Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1299
b:27.1
occ:1.00
|
F1
|
A:AF31299
|
0.0
|
27.1
|
1.0
|
AL
|
A:AF31299
|
1.8
|
32.0
|
1.0
|
MG
|
A:MG1301
|
1.9
|
26.1
|
1.0
|
O
|
A:HOH2009
|
2.7
|
26.5
|
1.0
|
O
|
A:HOH2008
|
2.7
|
18.6
|
1.0
|
O
|
A:HOH2010
|
2.9
|
29.7
|
1.0
|
O3B
|
A:ADP1300
|
2.9
|
20.7
|
1.0
|
O
|
A:HOH2019
|
3.0
|
32.5
|
1.0
|
O2B
|
A:ADP1300
|
3.0
|
31.3
|
1.0
|
F3
|
A:AF31299
|
3.1
|
39.0
|
1.0
|
F2
|
A:AF31299
|
3.1
|
17.8
|
1.0
|
OD2
|
A:ASP66
|
3.2
|
27.0
|
1.0
|
PB
|
A:ADP1300
|
3.4
|
25.7
|
1.0
|
NZ
|
A:LYS68
|
3.5
|
24.4
|
1.0
|
OG
|
A:SER43
|
3.8
|
25.5
|
1.0
|
CA
|
A:LEU153
|
4.2
|
28.2
|
1.0
|
O1B
|
A:ADP1300
|
4.2
|
21.5
|
1.0
|
CE
|
A:LYS42
|
4.2
|
16.8
|
1.0
|
O
|
A:HOH2006
|
4.4
|
35.1
|
1.0
|
CG
|
A:ASP66
|
4.4
|
27.9
|
1.0
|
NZ
|
B:LYS37
|
4.5
|
25.3
|
1.0
|
OD1
|
A:ASP70
|
4.5
|
33.6
|
1.0
|
NZ
|
A:LYS42
|
4.5
|
17.2
|
1.0
|
O
|
A:VAL152
|
4.6
|
33.5
|
1.0
|
CE
|
A:LYS68
|
4.7
|
23.8
|
1.0
|
CB
|
A:LEU153
|
4.7
|
27.8
|
1.0
|
O2A
|
A:ADP1300
|
4.7
|
32.8
|
1.0
|
O3A
|
A:ADP1300
|
4.8
|
33.7
|
1.0
|
O
|
A:HOH2016
|
4.8
|
29.1
|
1.0
|
N
|
A:GLY154
|
4.8
|
32.3
|
1.0
|
C
|
A:LEU153
|
4.9
|
31.1
|
1.0
|
CB
|
A:SER43
|
4.9
|
26.8
|
1.0
|
N
|
A:LEU153
|
4.9
|
26.1
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 2ynm
Go back to
Fluorine Binding Sites List in 2ynm
Fluorine binding site 2 out
of 6 in the Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1299
b:17.8
occ:1.00
|
F2
|
A:AF31299
|
0.0
|
17.8
|
1.0
|
AL
|
A:AF31299
|
1.8
|
32.0
|
1.0
|
O
|
A:HOH2006
|
2.5
|
35.1
|
1.0
|
NZ
|
A:LYS42
|
2.8
|
17.2
|
1.0
|
O2B
|
A:ADP1300
|
3.0
|
31.3
|
1.0
|
O
|
A:HOH2019
|
3.1
|
32.5
|
1.0
|
F1
|
A:AF31299
|
3.1
|
27.1
|
1.0
|
F3
|
A:AF31299
|
3.1
|
39.0
|
1.0
|
N
|
A:GLY154
|
3.1
|
32.3
|
1.0
|
N
|
A:GLY39
|
3.2
|
24.8
|
1.0
|
CA
|
A:GLY38
|
3.2
|
22.0
|
1.0
|
CE
|
A:LYS42
|
3.3
|
16.8
|
1.0
|
CA
|
A:GLY154
|
3.5
|
31.9
|
1.0
|
O1B
|
A:ADP1300
|
3.6
|
21.5
|
1.0
|
PB
|
A:ADP1300
|
3.7
|
25.7
|
1.0
|
C
|
A:GLY38
|
3.7
|
21.8
|
1.0
|
C
|
A:LEU153
|
3.9
|
31.1
|
1.0
|
O
|
A:HOH2047
|
4.0
|
24.6
|
1.0
|
N
|
A:GLY38
|
4.3
|
22.1
|
1.0
|
CA
|
A:LEU153
|
4.3
|
28.2
|
1.0
|
OD2
|
B:ASP155
|
4.3
|
24.8
|
1.0
|
O3B
|
A:ADP1300
|
4.3
|
20.7
|
1.0
|
O
|
A:LYS37
|
4.3
|
20.8
|
1.0
|
CA
|
A:GLY39
|
4.4
|
25.2
|
1.0
|
MG
|
A:MG1301
|
4.7
|
26.1
|
1.0
|
C
|
A:LYS37
|
4.7
|
20.9
|
1.0
|
OD1
|
B:ASP155
|
4.7
|
28.4
|
1.0
|
CB
|
A:LEU153
|
4.8
|
27.8
|
1.0
|
CD
|
A:LYS42
|
4.8
|
25.2
|
1.0
|
O
|
B:HOH2003
|
4.8
|
25.3
|
1.0
|
O
|
A:HOH2008
|
4.8
|
18.6
|
1.0
|
O
|
A:LEU153
|
4.8
|
35.3
|
1.0
|
C
|
A:GLY154
|
4.9
|
30.5
|
1.0
|
O
|
A:GLY38
|
5.0
|
21.2
|
1.0
|
CG
|
B:ASP155
|
5.0
|
28.1
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 2ynm
Go back to
Fluorine Binding Sites List in 2ynm
Fluorine binding site 3 out
of 6 in the Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1299
b:39.0
occ:1.00
|
F3
|
A:AF31299
|
0.0
|
39.0
|
1.0
|
AL
|
A:AF31299
|
1.8
|
32.0
|
1.0
|
O
|
A:HOH2006
|
2.1
|
35.1
|
1.0
|
NZ
|
B:LYS37
|
2.7
|
25.3
|
1.0
|
O2B
|
A:ADP1300
|
2.8
|
31.3
|
1.0
|
O
|
B:HOH2003
|
2.9
|
25.3
|
1.0
|
NZ
|
A:LYS68
|
2.9
|
24.4
|
1.0
|
O
|
A:HOH2019
|
2.9
|
32.5
|
1.0
|
F1
|
A:AF31299
|
3.1
|
27.1
|
1.0
|
F2
|
A:AF31299
|
3.1
|
17.8
|
1.0
|
CE
|
A:LYS68
|
3.1
|
23.8
|
1.0
|
CE
|
B:LYS37
|
3.3
|
17.7
|
1.0
|
CD
|
B:LYS37
|
3.5
|
18.4
|
1.0
|
O
|
A:HOH2010
|
4.0
|
29.7
|
1.0
|
OD1
|
B:ASP155
|
4.1
|
28.4
|
1.0
|
O
|
A:HOH2022
|
4.2
|
28.9
|
1.0
|
PB
|
A:ADP1300
|
4.2
|
25.7
|
1.0
|
N
|
A:GLY39
|
4.3
|
24.8
|
1.0
|
OD2
|
A:ASP66
|
4.4
|
27.0
|
1.0
|
CD
|
A:LYS68
|
4.5
|
23.2
|
1.0
|
MG
|
A:MG1301
|
4.5
|
26.1
|
1.0
|
N
|
B:GLY38
|
4.5
|
22.1
|
1.0
|
O3B
|
A:ADP1300
|
4.7
|
20.7
|
1.0
|
O2A
|
A:ADP1300
|
4.7
|
32.8
|
1.0
|
CA
|
A:GLY39
|
4.7
|
25.2
|
1.0
|
CG
|
B:LYS37
|
4.8
|
22.4
|
1.0
|
O
|
A:HOH2047
|
5.0
|
24.6
|
1.0
|
CA
|
B:GLY38
|
5.0
|
21.7
|
1.0
|
|
Fluorine binding site 4 out
of 6 in 2ynm
Go back to
Fluorine Binding Sites List in 2ynm
Fluorine binding site 4 out
of 6 in the Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1298
b:25.0
occ:1.00
|
F1
|
B:AF31298
|
0.0
|
25.0
|
1.0
|
AL
|
B:AF31298
|
1.8
|
44.1
|
1.0
|
O1B
|
B:ADP1299
|
2.7
|
29.9
|
1.0
|
O
|
A:HOH2046
|
2.7
|
32.9
|
1.0
|
O
|
A:HOH2005
|
2.8
|
29.0
|
1.0
|
NZ
|
A:LYS37
|
2.9
|
27.2
|
1.0
|
F2
|
B:AF31298
|
3.1
|
29.1
|
1.0
|
F3
|
B:AF31298
|
3.1
|
27.4
|
1.0
|
NZ
|
B:LYS68
|
3.3
|
24.2
|
1.0
|
CE
|
A:LYS37
|
3.3
|
26.0
|
1.0
|
CD
|
A:LYS37
|
3.6
|
26.3
|
1.0
|
CE
|
B:LYS68
|
3.6
|
22.8
|
1.0
|
O
|
A:HOH2003
|
4.0
|
30.1
|
1.0
|
OD1
|
A:ASP155
|
4.1
|
33.3
|
1.0
|
PB
|
B:ADP1299
|
4.1
|
27.0
|
1.0
|
N
|
B:GLY39
|
4.2
|
24.7
|
1.0
|
O
|
A:HOH2004
|
4.4
|
27.2
|
1.0
|
N
|
A:GLY38
|
4.5
|
22.1
|
1.0
|
OD2
|
B:ASP66
|
4.5
|
22.1
|
1.0
|
MG
|
B:MG1297
|
4.5
|
34.2
|
1.0
|
CA
|
B:GLY39
|
4.6
|
26.5
|
1.0
|
CG
|
A:LYS37
|
4.6
|
26.1
|
1.0
|
O3B
|
B:ADP1299
|
4.7
|
26.4
|
1.0
|
O2B
|
B:ADP1299
|
4.8
|
25.9
|
1.0
|
O1A
|
B:ADP1299
|
4.8
|
20.4
|
1.0
|
CA
|
A:GLY38
|
4.9
|
22.0
|
1.0
|
O
|
A:HOH2047
|
4.9
|
24.6
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 2ynm
Go back to
Fluorine Binding Sites List in 2ynm
Fluorine binding site 5 out
of 6 in the Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1298
b:29.1
occ:1.00
|
F2
|
B:AF31298
|
0.0
|
29.1
|
1.0
|
AL
|
B:AF31298
|
1.8
|
44.1
|
1.0
|
MG
|
B:MG1297
|
1.9
|
34.2
|
1.0
|
O
|
B:HOH2004
|
2.7
|
19.0
|
1.0
|
O
|
B:HOH2005
|
2.8
|
37.3
|
1.0
|
O3B
|
B:ADP1299
|
2.8
|
26.4
|
1.0
|
O1B
|
B:ADP1299
|
2.8
|
29.9
|
1.0
|
O
|
A:HOH2003
|
2.9
|
30.1
|
1.0
|
F1
|
B:AF31298
|
3.1
|
25.0
|
1.0
|
F3
|
B:AF31298
|
3.1
|
27.4
|
1.0
|
PB
|
B:ADP1299
|
3.1
|
27.0
|
1.0
|
O
|
A:HOH2046
|
3.3
|
32.9
|
1.0
|
OD2
|
B:ASP66
|
3.5
|
22.1
|
1.0
|
O2B
|
B:ADP1299
|
3.8
|
25.9
|
1.0
|
OG
|
B:SER43
|
3.9
|
28.6
|
1.0
|
CE
|
B:LYS42
|
4.0
|
19.0
|
1.0
|
NZ
|
B:LYS68
|
4.1
|
24.2
|
1.0
|
CA
|
B:LEU153
|
4.1
|
29.9
|
1.0
|
NZ
|
B:LYS42
|
4.4
|
20.3
|
1.0
|
NZ
|
A:LYS37
|
4.4
|
27.2
|
1.0
|
O
|
B:VAL152
|
4.4
|
32.2
|
1.0
|
O3A
|
B:ADP1299
|
4.6
|
20.9
|
1.0
|
N
|
B:GLY154
|
4.6
|
30.0
|
1.0
|
C
|
B:LEU153
|
4.7
|
27.8
|
1.0
|
CG
|
B:ASP66
|
4.7
|
23.4
|
1.0
|
CB
|
B:LEU153
|
4.8
|
30.6
|
1.0
|
O1A
|
B:ADP1299
|
4.8
|
20.4
|
1.0
|
CB
|
B:LYS42
|
4.9
|
23.9
|
1.0
|
OD1
|
B:ASP70
|
4.9
|
37.8
|
1.0
|
N
|
B:LEU153
|
4.9
|
29.5
|
1.0
|
O
|
B:HOH2015
|
4.9
|
35.0
|
1.0
|
CB
|
B:SER43
|
5.0
|
27.5
|
1.0
|
C
|
B:VAL152
|
5.0
|
31.3
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 2ynm
Go back to
Fluorine Binding Sites List in 2ynm
Fluorine binding site 6 out
of 6 in the Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Structure of the ADPXALF3-Stabilized Transition State of the Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase Complex From Prochlorococcus Marinus with Its Substrate Protochlorophyllide A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1298
b:27.4
occ:1.00
|
F3
|
B:AF31298
|
0.0
|
27.4
|
1.0
|
AL
|
B:AF31298
|
1.8
|
44.1
|
1.0
|
NZ
|
B:LYS42
|
2.5
|
20.3
|
1.0
|
N
|
B:GLY39
|
3.0
|
24.7
|
1.0
|
O1B
|
B:ADP1299
|
3.1
|
29.9
|
1.0
|
F2
|
B:AF31298
|
3.1
|
29.1
|
1.0
|
N
|
B:GLY154
|
3.1
|
30.0
|
1.0
|
F1
|
B:AF31298
|
3.1
|
25.0
|
1.0
|
CA
|
B:GLY38
|
3.2
|
21.7
|
1.0
|
CE
|
B:LYS42
|
3.2
|
19.0
|
1.0
|
CA
|
B:GLY154
|
3.3
|
29.1
|
1.0
|
O2B
|
B:ADP1299
|
3.3
|
25.9
|
1.0
|
O
|
A:HOH2046
|
3.5
|
32.9
|
1.0
|
C
|
B:GLY38
|
3.6
|
23.2
|
1.0
|
PB
|
B:ADP1299
|
3.6
|
27.0
|
1.0
|
C
|
B:LEU153
|
3.9
|
27.8
|
1.0
|
O
|
A:HOH2047
|
4.0
|
24.6
|
1.0
|
CA
|
B:GLY39
|
4.1
|
26.5
|
1.0
|
O
|
B:LYS37
|
4.2
|
27.6
|
1.0
|
N
|
B:GLY38
|
4.2
|
22.1
|
1.0
|
O3B
|
B:ADP1299
|
4.4
|
26.4
|
1.0
|
CA
|
B:LEU153
|
4.4
|
29.9
|
1.0
|
OD2
|
A:ASP155
|
4.5
|
31.7
|
1.0
|
C
|
B:LYS37
|
4.6
|
23.4
|
1.0
|
CD
|
B:LYS42
|
4.7
|
20.8
|
1.0
|
O
|
B:LEU153
|
4.7
|
23.8
|
1.0
|
C
|
B:GLY154
|
4.7
|
31.4
|
1.0
|
O
|
B:GLY38
|
4.8
|
24.1
|
1.0
|
MG
|
B:MG1297
|
4.8
|
34.2
|
1.0
|
O
|
A:HOH2005
|
4.8
|
29.0
|
1.0
|
OD1
|
A:ASP155
|
4.8
|
33.3
|
1.0
|
O3A
|
B:ADP1299
|
5.0
|
20.9
|
1.0
|
O
|
B:GLY36
|
5.0
|
21.8
|
1.0
|
|
Reference:
J.Moser,
C.Lange,
J.Krausze,
J.Rebelein,
W.Schubert,
M.W.Ribbe,
D.W.Heinz,
D.Jahn.
Structure of Adp-Aluminium Fluoride-Stabilized Protochlorophyllide Oxidoreductase Complex. Proc.Natl.Acad.Sci.Usa V. 110 2094 2013.
ISSN: ISSN 0027-8424
PubMed: 23341615
DOI: 10.1073/PNAS.1218303110
Page generated: Wed Jul 31 16:54:37 2024
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