Iron in PDB 1l5h: Femo-Cofactor Deficient Nitrogenase Mofe Protein
Enzymatic activity of Femo-Cofactor Deficient Nitrogenase Mofe Protein
All present enzymatic activity of Femo-Cofactor Deficient Nitrogenase Mofe Protein:
1.18.6.1;
Protein crystallography data
The structure of Femo-Cofactor Deficient Nitrogenase Mofe Protein, PDB code: 1l5h
was solved by
B.Schmid,
M.W.Ribbe,
O.Einsle,
M.Yoshida,
L.M.Thomas,
D.R.Dean,
D.C.Rees,
B.K.Burgess,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
2.30
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
150.452,
191.922,
102.339,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
24.9 /
28.9
|
Other elements in 1l5h:
The structure of Femo-Cofactor Deficient Nitrogenase Mofe Protein also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Femo-Cofactor Deficient Nitrogenase Mofe Protein
(pdb code 1l5h). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Femo-Cofactor Deficient Nitrogenase Mofe Protein, PDB code: 1l5h:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 1l5h
Go back to
Iron Binding Sites List in 1l5h
Iron binding site 1 out
of 8 in the Femo-Cofactor Deficient Nitrogenase Mofe Protein
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Femo-Cofactor Deficient Nitrogenase Mofe Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe602
b:43.8
occ:1.00
|
FE1
|
B:CLF602
|
0.0
|
43.8
|
1.0
|
S2A
|
B:CLF602
|
2.1
|
71.4
|
1.0
|
S3A
|
B:CLF602
|
2.2
|
53.4
|
1.0
|
S1
|
B:CLF602
|
2.3
|
47.4
|
1.0
|
SG
|
B:CYS95
|
2.4
|
30.8
|
1.0
|
FE8
|
B:CLF602
|
2.5
|
39.9
|
1.0
|
FE4
|
B:CLF602
|
2.7
|
42.1
|
1.0
|
FE2
|
B:CLF602
|
2.7
|
45.7
|
1.0
|
N
|
B:CYS95
|
3.1
|
36.6
|
1.0
|
FE3
|
B:CLF602
|
3.1
|
41.8
|
1.0
|
CA
|
B:CYS95
|
3.3
|
34.9
|
1.0
|
CB
|
B:CYS95
|
3.3
|
34.5
|
1.0
|
FE5
|
B:CLF602
|
3.5
|
46.2
|
1.0
|
S4B
|
B:CLF602
|
3.6
|
47.4
|
1.0
|
C
|
B:GLY94
|
3.9
|
37.4
|
1.0
|
S4A
|
B:CLF602
|
4.1
|
47.1
|
1.0
|
FE6
|
B:CLF602
|
4.4
|
50.4
|
1.0
|
CA
|
B:GLY94
|
4.5
|
38.4
|
1.0
|
SG
|
A:CYS88
|
4.6
|
39.0
|
1.0
|
O
|
B:GLY94
|
4.7
|
36.8
|
1.0
|
CB
|
B:SER92
|
4.7
|
43.9
|
1.0
|
SG
|
A:CYS154
|
4.7
|
41.8
|
1.0
|
S3B
|
B:CLF602
|
4.8
|
47.3
|
1.0
|
C
|
B:CYS95
|
4.8
|
34.1
|
1.0
|
|
Iron binding site 2 out
of 8 in 1l5h
Go back to
Iron Binding Sites List in 1l5h
Iron binding site 2 out
of 8 in the Femo-Cofactor Deficient Nitrogenase Mofe Protein
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Femo-Cofactor Deficient Nitrogenase Mofe Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe602
b:45.7
occ:1.00
|
FE2
|
B:CLF602
|
0.0
|
45.7
|
1.0
|
S2A
|
B:CLF602
|
2.2
|
71.4
|
1.0
|
S4A
|
B:CLF602
|
2.3
|
47.1
|
1.0
|
SG
|
A:CYS154
|
2.3
|
41.8
|
1.0
|
S1
|
B:CLF602
|
2.3
|
47.4
|
1.0
|
FE4
|
B:CLF602
|
2.6
|
42.1
|
1.0
|
FE1
|
B:CLF602
|
2.7
|
43.8
|
1.0
|
FE3
|
B:CLF602
|
2.9
|
41.8
|
1.0
|
CB
|
A:CYS154
|
3.4
|
43.6
|
1.0
|
N
|
A:CYS154
|
3.7
|
42.6
|
1.0
|
S3A
|
B:CLF602
|
3.8
|
53.4
|
1.0
|
CA
|
A:GLY185
|
4.0
|
46.4
|
1.0
|
CA
|
A:CYS154
|
4.1
|
43.8
|
1.0
|
N
|
A:GLY185
|
4.2
|
44.9
|
1.0
|
FE8
|
B:CLF602
|
4.3
|
39.9
|
1.0
|
OG
|
B:SER92
|
4.3
|
47.7
|
1.0
|
FE5
|
B:CLF602
|
4.4
|
46.2
|
1.0
|
SG
|
B:CYS95
|
4.4
|
30.8
|
1.0
|
SG
|
A:CYS88
|
4.5
|
39.0
|
1.0
|
CB
|
B:SER92
|
4.5
|
43.9
|
1.0
|
C
|
A:GLY185
|
4.7
|
47.4
|
1.0
|
FE6
|
B:CLF602
|
4.9
|
50.4
|
1.0
|
SG
|
B:CYS153
|
4.9
|
40.0
|
1.0
|
C
|
A:GLU153
|
4.9
|
42.1
|
1.0
|
|
Iron binding site 3 out
of 8 in 1l5h
Go back to
Iron Binding Sites List in 1l5h
Iron binding site 3 out
of 8 in the Femo-Cofactor Deficient Nitrogenase Mofe Protein
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Femo-Cofactor Deficient Nitrogenase Mofe Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe602
b:41.8
occ:1.00
|
FE3
|
B:CLF602
|
0.0
|
41.8
|
1.0
|
S4A
|
B:CLF602
|
2.2
|
47.1
|
1.0
|
S3A
|
B:CLF602
|
2.3
|
53.4
|
1.0
|
S2A
|
B:CLF602
|
2.4
|
71.4
|
1.0
|
SG
|
A:CYS62
|
2.4
|
41.6
|
1.0
|
FE4
|
B:CLF602
|
2.6
|
42.1
|
1.0
|
FE2
|
B:CLF602
|
2.9
|
45.7
|
1.0
|
FE1
|
B:CLF602
|
3.1
|
43.8
|
1.0
|
CB
|
A:CYS62
|
3.5
|
42.7
|
1.0
|
CB
|
A:TYR64
|
3.8
|
37.6
|
1.0
|
CA
|
A:GLY185
|
3.8
|
46.4
|
1.0
|
S1
|
B:CLF602
|
4.1
|
47.4
|
1.0
|
CA
|
B:GLY94
|
4.2
|
38.4
|
1.0
|
CD2
|
A:TYR64
|
4.4
|
37.0
|
1.0
|
CG
|
A:TYR64
|
4.4
|
34.3
|
1.0
|
C
|
B:GLY94
|
4.5
|
37.4
|
1.0
|
N
|
A:GLY185
|
4.5
|
44.9
|
1.0
|
N
|
B:CYS95
|
4.6
|
36.6
|
1.0
|
SG
|
A:CYS154
|
4.7
|
41.8
|
1.0
|
O
|
B:HOH638
|
4.8
|
44.6
|
1.0
|
SG
|
A:CYS88
|
4.8
|
39.0
|
1.0
|
N
|
A:TYR64
|
4.8
|
40.5
|
1.0
|
C
|
A:GLY185
|
4.8
|
47.4
|
1.0
|
CE2
|
B:TYR98
|
4.9
|
39.0
|
1.0
|
CA
|
A:TYR64
|
4.9
|
39.5
|
1.0
|
CA
|
A:CYS62
|
4.9
|
42.9
|
1.0
|
|
Iron binding site 4 out
of 8 in 1l5h
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Iron Binding Sites List in 1l5h
Iron binding site 4 out
of 8 in the Femo-Cofactor Deficient Nitrogenase Mofe Protein
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Femo-Cofactor Deficient Nitrogenase Mofe Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe602
b:42.1
occ:1.00
|
FE4
|
B:CLF602
|
0.0
|
42.1
|
1.0
|
S3A
|
B:CLF602
|
2.3
|
53.4
|
1.0
|
S4A
|
B:CLF602
|
2.3
|
47.1
|
1.0
|
S1
|
B:CLF602
|
2.3
|
47.4
|
1.0
|
SG
|
A:CYS88
|
2.4
|
39.0
|
1.0
|
FE2
|
B:CLF602
|
2.6
|
45.7
|
1.0
|
FE3
|
B:CLF602
|
2.6
|
41.8
|
1.0
|
FE1
|
B:CLF602
|
2.7
|
43.8
|
1.0
|
FE5
|
B:CLF602
|
2.8
|
46.2
|
1.0
|
CB
|
A:CYS88
|
3.3
|
38.8
|
1.0
|
S2A
|
B:CLF602
|
3.4
|
71.4
|
1.0
|
FE8
|
B:CLF602
|
4.0
|
39.9
|
1.0
|
S4B
|
B:CLF602
|
4.2
|
47.4
|
1.0
|
CA
|
A:CYS88
|
4.3
|
37.7
|
1.0
|
CD2
|
A:TYR64
|
4.6
|
37.0
|
1.0
|
N
|
A:CYS88
|
4.7
|
37.6
|
1.0
|
CB
|
A:GLU153
|
4.8
|
43.2
|
1.0
|
CG
|
A:TYR64
|
4.8
|
34.3
|
1.0
|
FE6
|
B:CLF602
|
4.8
|
50.4
|
1.0
|
SG
|
A:CYS154
|
4.8
|
41.8
|
1.0
|
SG
|
A:CYS62
|
4.8
|
41.6
|
1.0
|
CG
|
A:GLU153
|
4.9
|
45.5
|
1.0
|
CB
|
A:TYR64
|
4.9
|
37.6
|
1.0
|
N
|
A:CYS154
|
4.9
|
42.6
|
1.0
|
SG
|
B:CYS95
|
4.9
|
30.8
|
1.0
|
S2B
|
B:CLF602
|
4.9
|
74.3
|
1.0
|
|
Iron binding site 5 out
of 8 in 1l5h
Go back to
Iron Binding Sites List in 1l5h
Iron binding site 5 out
of 8 in the Femo-Cofactor Deficient Nitrogenase Mofe Protein
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Femo-Cofactor Deficient Nitrogenase Mofe Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe602
b:46.2
occ:1.00
|
FE5
|
B:CLF602
|
0.0
|
46.2
|
1.0
|
S4B
|
B:CLF602
|
2.3
|
47.4
|
1.0
|
S2B
|
B:CLF602
|
2.3
|
74.3
|
1.0
|
S1
|
B:CLF602
|
2.4
|
47.4
|
1.0
|
SG
|
A:CYS88
|
2.4
|
39.0
|
1.0
|
FE8
|
B:CLF602
|
2.6
|
39.9
|
1.0
|
FE4
|
B:CLF602
|
2.8
|
42.1
|
1.0
|
FE7
|
B:CLF602
|
2.9
|
44.5
|
1.0
|
FE6
|
B:CLF602
|
2.9
|
50.4
|
1.0
|
N
|
A:CYS88
|
3.2
|
37.6
|
1.0
|
FE1
|
B:CLF602
|
3.5
|
43.8
|
1.0
|
CB
|
A:CYS88
|
3.6
|
38.8
|
1.0
|
CA
|
A:CYS88
|
3.7
|
37.7
|
1.0
|
S3A
|
B:CLF602
|
3.8
|
53.4
|
1.0
|
S3B
|
B:CLF602
|
4.0
|
47.3
|
1.0
|
C
|
A:GLY87
|
4.1
|
37.6
|
1.0
|
CA
|
A:GLY87
|
4.4
|
37.2
|
1.0
|
FE2
|
B:CLF602
|
4.4
|
45.7
|
1.0
|
SG
|
B:CYS95
|
4.7
|
30.8
|
1.0
|
OE1
|
A:GLU153
|
4.8
|
51.7
|
1.0
|
SG
|
B:CYS153
|
4.8
|
40.0
|
1.0
|
SG
|
B:CYS70
|
4.9
|
37.5
|
1.0
|
N
|
A:GLY87
|
5.0
|
38.2
|
1.0
|
S4A
|
B:CLF602
|
5.0
|
47.1
|
1.0
|
|
Iron binding site 6 out
of 8 in 1l5h
Go back to
Iron Binding Sites List in 1l5h
Iron binding site 6 out
of 8 in the Femo-Cofactor Deficient Nitrogenase Mofe Protein
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Femo-Cofactor Deficient Nitrogenase Mofe Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe602
b:50.4
occ:1.00
|
FE6
|
B:CLF602
|
0.0
|
50.4
|
1.0
|
S3B
|
B:CLF602
|
2.3
|
47.3
|
1.0
|
S2B
|
B:CLF602
|
2.3
|
74.3
|
1.0
|
SG
|
B:CYS153
|
2.5
|
40.0
|
1.0
|
FE8
|
B:CLF602
|
2.5
|
39.9
|
1.0
|
S1
|
B:CLF602
|
2.7
|
47.4
|
1.0
|
FE7
|
B:CLF602
|
2.8
|
44.5
|
1.0
|
FE5
|
B:CLF602
|
2.9
|
46.2
|
1.0
|
CB
|
B:CYS153
|
3.2
|
44.5
|
1.0
|
OG
|
B:SER188
|
3.5
|
47.3
|
1.0
|
N
|
B:CYS153
|
3.6
|
44.0
|
1.0
|
CB
|
B:SER188
|
3.8
|
44.8
|
1.0
|
S4B
|
B:CLF602
|
3.9
|
47.4
|
1.0
|
CA
|
B:CYS153
|
4.0
|
44.7
|
1.0
|
SG
|
B:CYS95
|
4.4
|
30.8
|
1.0
|
FE1
|
B:CLF602
|
4.4
|
43.8
|
1.0
|
C
|
B:THR152
|
4.7
|
44.1
|
1.0
|
SG
|
A:CYS88
|
4.8
|
39.0
|
1.0
|
FE4
|
B:CLF602
|
4.8
|
42.1
|
1.0
|
O
|
B:HOH730
|
4.8
|
51.6
|
1.0
|
FE2
|
B:CLF602
|
4.9
|
45.7
|
1.0
|
SG
|
B:CYS70
|
4.9
|
37.5
|
1.0
|
CB
|
B:THR152
|
4.9
|
40.2
|
1.0
|
CG
|
A:PRO85
|
4.9
|
37.6
|
1.0
|
CB
|
A:PRO85
|
4.9
|
37.6
|
1.0
|
CA
|
B:THR152
|
5.0
|
43.4
|
1.0
|
|
Iron binding site 7 out
of 8 in 1l5h
Go back to
Iron Binding Sites List in 1l5h
Iron binding site 7 out
of 8 in the Femo-Cofactor Deficient Nitrogenase Mofe Protein
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Femo-Cofactor Deficient Nitrogenase Mofe Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe602
b:44.5
occ:1.00
|
FE7
|
B:CLF602
|
0.0
|
44.5
|
1.0
|
SG
|
B:CYS70
|
2.3
|
37.5
|
1.0
|
S4B
|
B:CLF602
|
2.3
|
47.4
|
1.0
|
S3B
|
B:CLF602
|
2.3
|
47.3
|
1.0
|
S2B
|
B:CLF602
|
2.3
|
74.3
|
1.0
|
FE8
|
B:CLF602
|
2.7
|
39.9
|
1.0
|
FE6
|
B:CLF602
|
2.8
|
50.4
|
1.0
|
FE5
|
B:CLF602
|
2.9
|
46.2
|
1.0
|
CB
|
B:CYS70
|
3.5
|
35.2
|
1.0
|
CB
|
B:SER188
|
3.9
|
44.8
|
1.0
|
CG
|
B:PRO72
|
4.1
|
35.0
|
1.0
|
CA
|
A:GLY87
|
4.2
|
37.2
|
1.0
|
S1
|
B:CLF602
|
4.3
|
47.4
|
1.0
|
CE2
|
A:TYR91
|
4.4
|
38.9
|
1.0
|
CE1
|
B:PHE99
|
4.5
|
39.2
|
1.0
|
CZ
|
B:PHE99
|
4.5
|
37.5
|
1.0
|
OG
|
B:SER188
|
4.5
|
47.3
|
1.0
|
N
|
A:CYS88
|
4.6
|
37.6
|
1.0
|
CD
|
B:PRO72
|
4.7
|
34.6
|
1.0
|
C
|
A:GLY87
|
4.8
|
37.6
|
1.0
|
N
|
A:GLY87
|
4.8
|
38.2
|
1.0
|
SG
|
B:CYS95
|
4.8
|
30.8
|
1.0
|
CA
|
B:CYS70
|
4.9
|
37.1
|
1.0
|
|
Iron binding site 8 out
of 8 in 1l5h
Go back to
Iron Binding Sites List in 1l5h
Iron binding site 8 out
of 8 in the Femo-Cofactor Deficient Nitrogenase Mofe Protein
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Femo-Cofactor Deficient Nitrogenase Mofe Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe602
b:39.9
occ:1.00
|
FE8
|
B:CLF602
|
0.0
|
39.9
|
1.0
|
SG
|
B:CYS95
|
2.3
|
30.8
|
1.0
|
S4B
|
B:CLF602
|
2.3
|
47.4
|
1.0
|
S3B
|
B:CLF602
|
2.3
|
47.3
|
1.0
|
S1
|
B:CLF602
|
2.4
|
47.4
|
1.0
|
FE1
|
B:CLF602
|
2.5
|
43.8
|
1.0
|
FE6
|
B:CLF602
|
2.5
|
50.4
|
1.0
|
FE5
|
B:CLF602
|
2.6
|
46.2
|
1.0
|
FE7
|
B:CLF602
|
2.7
|
44.5
|
1.0
|
CB
|
B:CYS95
|
3.1
|
34.5
|
1.0
|
S2B
|
B:CLF602
|
3.6
|
74.3
|
1.0
|
CA
|
B:CYS95
|
3.9
|
34.9
|
1.0
|
FE4
|
B:CLF602
|
4.0
|
42.1
|
1.0
|
S3A
|
B:CLF602
|
4.2
|
53.4
|
1.0
|
FE2
|
B:CLF602
|
4.3
|
45.7
|
1.0
|
CB
|
B:THR152
|
4.4
|
40.2
|
1.0
|
S2A
|
B:CLF602
|
4.5
|
71.4
|
1.0
|
N
|
B:CYS95
|
4.5
|
36.6
|
1.0
|
SG
|
B:CYS153
|
4.5
|
40.0
|
1.0
|
CZ
|
B:PHE99
|
4.6
|
37.5
|
1.0
|
N
|
B:CYS153
|
4.8
|
44.0
|
1.0
|
CG2
|
B:THR152
|
4.8
|
37.6
|
1.0
|
SG
|
B:CYS70
|
4.8
|
37.5
|
1.0
|
SG
|
A:CYS88
|
4.8
|
39.0
|
1.0
|
CA
|
B:THR152
|
5.0
|
43.4
|
1.0
|
|
Reference:
B.Schmid,
M.W.Ribbe,
O.Einsle,
M.Yoshida,
L.M.Thomas,
D.R.Dean,
D.C.Rees,
B.K.Burgess.
Structure of A Cofactor-Deficient Nitrogenase Mofe Protein. Science V. 296 352 2002.
ISSN: ISSN 0036-8075
PubMed: 11951047
DOI: 10.1126/SCIENCE.1070010
Page generated: Sat Aug 3 09:34:09 2024
|