Iron in PDB 29ul: Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv
Enzymatic activity of Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv
All present enzymatic activity of Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv:
1.18.6.1;
Protein crystallography data
The structure of Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv, PDB code: 29ul
was solved by
S.Laxmi,
L.C.Seefeldt,
S.B.Carr,
K.A.Vincent,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
44.94 /
2.50
|
|
Space group
|
C 1 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
151.846,
73.351,
211.954,
90,
104.42,
90
|
|
R / Rfree (%)
|
22.5 /
25.6
|
Other elements in 29ul:
The structure of Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv also contains other interesting chemical elements:
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
30;
Binding sites:
The binding sites of Iron atom in the Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv
(pdb code 29ul). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 30 binding sites of Iron where determined in the
Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv, PDB code: 29ul:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 30 in 29ul
Go back to
Iron Binding Sites List in 29ul
Iron binding site 1 out
of 30 in the Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe602
b:89.9
occ:1.00
|
FE1
|
E:ICS602
|
0.0
|
89.9
|
1.0
|
|
S2A
|
E:ICS602
|
2.3
|
89.0
|
1.0
|
|
S4A
|
E:ICS602
|
2.3
|
93.8
|
1.0
|
|
S1A
|
E:ICS602
|
2.3
|
97.7
|
1.0
|
|
SG
|
E:CYS275
|
2.4
|
90.3
|
1.0
|
|
FE4
|
E:ICS602
|
2.6
|
97.7
|
1.0
|
|
FE2
|
E:ICS602
|
2.7
|
104.7
|
1.0
|
|
FE3
|
E:ICS602
|
2.7
|
95.6
|
1.0
|
|
HB3
|
E:LEU358
|
3.3
|
122.9
|
1.0
|
|
HB2
|
E:CYS275
|
3.3
|
123.9
|
1.0
|
|
CX
|
E:ICS602
|
3.5
|
122.4
|
1.0
|
|
HB3
|
E:SER278
|
3.5
|
152.0
|
1.0
|
|
HD23
|
E:LEU358
|
3.5
|
115.3
|
1.0
|
|
CB
|
E:CYS275
|
3.5
|
102.5
|
1.0
|
|
HG
|
E:SER278
|
3.6
|
147.6
|
1.0
|
|
HE1
|
E:TYR229
|
3.8
|
106.3
|
1.0
|
|
HB2
|
E:LEU358
|
3.9
|
122.9
|
1.0
|
|
CB
|
E:LEU358
|
4.0
|
101.7
|
1.0
|
|
HB3
|
E:CYS275
|
4.0
|
123.9
|
1.0
|
|
OG
|
E:SER278
|
4.1
|
122.3
|
1.0
|
|
CB
|
E:SER278
|
4.2
|
125.9
|
1.0
|
|
CD2
|
E:LEU358
|
4.3
|
95.3
|
1.0
|
|
H
|
E:SER278
|
4.4
|
137.4
|
1.0
|
|
HD22
|
E:LEU358
|
4.4
|
115.3
|
1.0
|
|
CE1
|
E:TYR229
|
4.5
|
87.8
|
1.0
|
|
HB3
|
E:ARG277
|
4.5
|
114.3
|
1.0
|
|
HA
|
E:CYS275
|
4.5
|
117.1
|
1.0
|
|
CA
|
E:CYS275
|
4.7
|
96.8
|
1.0
|
|
CG
|
E:LEU358
|
4.7
|
103.6
|
1.0
|
|
S3A
|
E:ICS602
|
4.8
|
87.2
|
1.0
|
|
HB2
|
E:SER278
|
4.8
|
152.0
|
1.0
|
|
S2B
|
E:ICS602
|
4.8
|
99.7
|
1.0
|
|
H
|
E:GLY357
|
4.8
|
122.9
|
1.0
|
|
HD1
|
E:TYR229
|
4.8
|
122.5
|
1.0
|
|
S5A
|
E:ICS602
|
4.8
|
90.5
|
1.0
|
|
N
|
E:LEU358
|
4.9
|
90.3
|
1.0
|
|
N
|
E:SER278
|
5.0
|
113.8
|
1.0
|
|
FE5
|
E:ICS602
|
5.0
|
102.4
|
1.0
|
|
H
|
E:LEU358
|
5.0
|
109.3
|
1.0
|
|
Iron binding site 2 out
of 30 in 29ul
Go back to
Iron Binding Sites List in 29ul
Iron binding site 2 out
of 30 in the Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe602
b:104.7
occ:1.00
|
FE2
|
E:ICS602
|
0.0
|
104.7
|
1.0
|
|
CX
|
E:ICS602
|
2.0
|
122.4
|
1.0
|
|
S2B
|
E:ICS602
|
2.2
|
99.7
|
1.0
|
|
S2A
|
E:ICS602
|
2.3
|
89.0
|
1.0
|
|
S1A
|
E:ICS602
|
2.3
|
97.7
|
1.0
|
|
FE6
|
E:ICS602
|
2.6
|
99.8
|
1.0
|
|
FE3
|
E:ICS602
|
2.7
|
95.6
|
1.0
|
|
FE1
|
E:ICS602
|
2.7
|
89.9
|
1.0
|
|
FE4
|
E:ICS602
|
2.7
|
97.7
|
1.0
|
|
HZ
|
E:PHE381
|
3.5
|
129.0
|
1.0
|
|
HG11
|
E:VAL70
|
3.5
|
110.7
|
1.0
|
|
FE5
|
E:ICS602
|
3.7
|
102.4
|
1.0
|
|
FE7
|
E:ICS602
|
3.7
|
87.4
|
1.0
|
|
HE2
|
E:HIS195
|
3.8
|
116.5
|
1.0
|
|
S4A
|
E:ICS602
|
3.9
|
93.8
|
1.0
|
|
HE1
|
E:HIS195
|
3.9
|
119.6
|
1.0
|
|
HB3
|
E:SER278
|
4.0
|
152.0
|
1.0
|
|
HE1
|
E:PHE381
|
4.0
|
143.4
|
1.0
|
|
HG13
|
E:VAL70
|
4.1
|
110.7
|
1.0
|
|
S1B
|
E:ICS602
|
4.2
|
89.0
|
1.0
|
|
CG1
|
E:VAL70
|
4.2
|
91.5
|
1.0
|
|
NE2
|
E:HIS195
|
4.2
|
96.3
|
1.0
|
|
CZ
|
E:PHE381
|
4.3
|
106.8
|
1.0
|
|
S3B
|
E:ICS602
|
4.3
|
88.4
|
1.0
|
|
CE1
|
E:HIS195
|
4.3
|
99.0
|
1.0
|
|
S5A
|
E:ICS602
|
4.5
|
90.5
|
1.0
|
|
H
|
E:GLY357
|
4.5
|
122.9
|
1.0
|
|
S3A
|
E:ICS602
|
4.5
|
87.2
|
1.0
|
|
HG12
|
E:VAL70
|
4.6
|
110.7
|
1.0
|
|
CE1
|
E:PHE381
|
4.6
|
118.8
|
1.0
|
|
HA3
|
E:GLY356
|
4.6
|
118.1
|
1.0
|
|
SG
|
E:CYS275
|
4.7
|
90.3
|
1.0
|
|
HH21
|
E:ARG96
|
4.8
|
121.8
|
1.0
|
|
CB
|
E:SER278
|
4.9
|
125.9
|
1.0
|
|
HG
|
E:SER278
|
4.9
|
147.6
|
1.0
|
|
Iron binding site 3 out
of 30 in 29ul
Go back to
Iron Binding Sites List in 29ul
Iron binding site 3 out
of 30 in the Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe602
b:95.6
occ:1.00
|
FE3
|
E:ICS602
|
0.0
|
95.6
|
1.0
|
|
CX
|
E:ICS602
|
2.0
|
122.4
|
1.0
|
|
S5A
|
E:ICS602
|
2.2
|
90.5
|
1.0
|
|
S4A
|
E:ICS602
|
2.2
|
93.8
|
1.0
|
|
S2A
|
E:ICS602
|
2.3
|
89.0
|
1.0
|
|
FE7
|
E:ICS602
|
2.6
|
87.4
|
1.0
|
|
FE4
|
E:ICS602
|
2.6
|
97.7
|
1.0
|
|
FE2
|
E:ICS602
|
2.7
|
104.7
|
1.0
|
|
FE1
|
E:ICS602
|
2.7
|
89.9
|
1.0
|
|
HH21
|
E:ARG96
|
3.5
|
121.8
|
1.0
|
|
FE6
|
E:ICS602
|
3.7
|
99.8
|
1.0
|
|
FE5
|
E:ICS602
|
3.7
|
102.4
|
1.0
|
|
HD1
|
E:TYR229
|
3.8
|
122.5
|
1.0
|
|
S1A
|
E:ICS602
|
3.9
|
97.7
|
1.0
|
|
HE1
|
E:TYR229
|
4.1
|
106.3
|
1.0
|
|
CD1
|
E:TYR229
|
4.2
|
101.3
|
1.0
|
|
S4B
|
E:ICS602
|
4.3
|
84.0
|
1.0
|
|
S3B
|
E:ICS602
|
4.3
|
88.4
|
1.0
|
|
NH2
|
E:ARG96
|
4.3
|
100.8
|
1.0
|
|
CE1
|
E:TYR229
|
4.3
|
87.8
|
1.0
|
|
S2B
|
E:ICS602
|
4.4
|
99.7
|
1.0
|
|
HG13
|
E:VAL70
|
4.4
|
110.7
|
1.0
|
|
S3A
|
E:ICS602
|
4.5
|
87.2
|
1.0
|
|
HG11
|
E:VAL70
|
4.6
|
110.7
|
1.0
|
|
HH22
|
E:ARG96
|
4.6
|
121.8
|
1.0
|
|
HE
|
E:ARG96
|
4.7
|
123.6
|
1.0
|
|
HD23
|
E:LEU358
|
4.7
|
115.3
|
1.0
|
|
HE
|
E:ARG359
|
4.7
|
106.7
|
1.0
|
|
HH21
|
E:ARG359
|
4.8
|
113.2
|
1.0
|
|
HB3
|
E:LEU358
|
4.8
|
122.9
|
1.0
|
|
HB2
|
E:CYS275
|
4.8
|
123.9
|
1.0
|
|
SG
|
E:CYS275
|
4.8
|
90.3
|
1.0
|
|
CG1
|
E:VAL70
|
4.9
|
91.5
|
1.0
|
|
HG12
|
E:VAL70
|
4.9
|
110.7
|
1.0
|
|
NE
|
E:ARG359
|
4.9
|
88.2
|
1.0
|
|
HB2
|
E:TYR229
|
4.9
|
112.7
|
1.0
|
|
NH2
|
E:ARG359
|
4.9
|
93.6
|
1.0
|
|
HG3
|
E:ARG359
|
5.0
|
118.0
|
1.0
|
|
Iron binding site 4 out
of 30 in 29ul
Go back to
Iron Binding Sites List in 29ul
Iron binding site 4 out
of 30 in the Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe602
b:97.7
occ:1.00
|
FE4
|
E:ICS602
|
0.0
|
97.7
|
1.0
|
|
CX
|
E:ICS602
|
2.0
|
122.4
|
1.0
|
|
S3A
|
E:ICS602
|
2.2
|
87.2
|
1.0
|
|
S4A
|
E:ICS602
|
2.3
|
93.8
|
1.0
|
|
S1A
|
E:ICS602
|
2.3
|
97.7
|
1.0
|
|
FE5
|
E:ICS602
|
2.6
|
102.4
|
1.0
|
|
FE1
|
E:ICS602
|
2.6
|
89.9
|
1.0
|
|
FE3
|
E:ICS602
|
2.6
|
95.6
|
1.0
|
|
FE2
|
E:ICS602
|
2.7
|
104.7
|
1.0
|
|
HB3
|
E:LEU358
|
3.0
|
122.9
|
1.0
|
|
H
|
E:GLY357
|
3.3
|
122.9
|
1.0
|
|
HG3
|
E:ARG359
|
3.6
|
118.0
|
1.0
|
|
H
|
E:LEU358
|
3.7
|
109.3
|
1.0
|
|
FE7
|
E:ICS602
|
3.7
|
87.4
|
1.0
|
|
FE6
|
E:ICS602
|
3.7
|
99.8
|
1.0
|
|
H
|
E:ARG359
|
3.7
|
116.0
|
1.0
|
|
S2A
|
E:ICS602
|
3.8
|
89.0
|
1.0
|
|
CB
|
E:LEU358
|
4.0
|
101.7
|
1.0
|
|
HA3
|
E:GLY356
|
4.0
|
118.1
|
1.0
|
|
N
|
E:GLY357
|
4.1
|
101.7
|
1.0
|
|
N
|
E:LEU358
|
4.1
|
90.3
|
1.0
|
|
S4B
|
E:ICS602
|
4.2
|
84.0
|
1.0
|
|
HD23
|
E:LEU358
|
4.3
|
115.3
|
1.0
|
|
HD2
|
E:ARG359
|
4.3
|
92.6
|
1.0
|
|
S1B
|
E:ICS602
|
4.3
|
89.0
|
1.0
|
|
H
|
E:GLY356
|
4.4
|
127.1
|
1.0
|
|
HB2
|
E:LEU358
|
4.4
|
122.9
|
1.0
|
|
S5A
|
E:ICS602
|
4.5
|
90.5
|
1.0
|
|
CG
|
E:ARG359
|
4.5
|
97.6
|
1.0
|
|
N
|
E:ARG359
|
4.5
|
96.0
|
1.0
|
|
S2B
|
E:ICS602
|
4.5
|
99.7
|
1.0
|
|
CA
|
E:LEU358
|
4.6
|
101.2
|
1.0
|
|
HZ
|
E:PHE381
|
4.6
|
129.0
|
1.0
|
|
HG
|
E:LEU358
|
4.7
|
125.2
|
1.0
|
|
C
|
E:GLY357
|
4.7
|
98.8
|
1.0
|
|
CD
|
E:ARG359
|
4.7
|
76.5
|
1.0
|
|
HE
|
E:ARG359
|
4.8
|
106.7
|
1.0
|
|
CA
|
E:GLY356
|
4.8
|
97.7
|
1.0
|
|
CA
|
E:GLY357
|
4.8
|
98.3
|
1.0
|
|
HA3
|
E:GLY357
|
4.8
|
118.9
|
1.0
|
|
CG
|
E:LEU358
|
4.8
|
103.6
|
1.0
|
|
SG
|
E:CYS275
|
4.8
|
90.3
|
1.0
|
|
NE
|
E:ARG359
|
4.8
|
88.2
|
1.0
|
|
HG22
|
E:ILE355
|
4.9
|
110.1
|
1.0
|
|
C
|
E:GLY356
|
4.9
|
103.5
|
1.0
|
|
HB2
|
E:ARG359
|
5.0
|
120.4
|
1.0
|
|
Iron binding site 5 out
of 30 in 29ul
Go back to
Iron Binding Sites List in 29ul
Iron binding site 5 out
of 30 in the Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe602
b:102.4
occ:1.00
|
FE5
|
E:ICS602
|
0.0
|
102.4
|
1.0
|
|
CX
|
E:ICS602
|
2.0
|
122.4
|
1.0
|
|
S4B
|
E:ICS602
|
2.3
|
84.0
|
1.0
|
|
S1B
|
E:ICS602
|
2.3
|
89.0
|
1.0
|
|
S3A
|
E:ICS602
|
2.3
|
87.2
|
1.0
|
|
FE4
|
E:ICS602
|
2.6
|
97.7
|
1.0
|
|
FE6
|
E:ICS602
|
2.6
|
99.8
|
1.0
|
|
FE7
|
E:ICS602
|
2.6
|
87.4
|
1.0
|
|
MO1
|
E:ICS602
|
2.7
|
87.1
|
1.0
|
|
HG22
|
E:ILE355
|
3.1
|
110.1
|
1.0
|
|
HA3
|
E:GLY356
|
3.3
|
118.1
|
1.0
|
|
H
|
E:GLY356
|
3.6
|
127.1
|
1.0
|
|
FE2
|
E:ICS602
|
3.7
|
104.7
|
1.0
|
|
FE3
|
E:ICS602
|
3.7
|
95.6
|
1.0
|
|
HG21
|
E:ILE355
|
3.7
|
110.1
|
1.0
|
|
HD2
|
E:ARG359
|
3.8
|
92.6
|
1.0
|
|
CG2
|
E:ILE355
|
3.8
|
91.0
|
1.0
|
|
ND1
|
E:HIS442
|
3.9
|
96.8
|
1.0
|
|
S3B
|
E:ICS602
|
3.9
|
88.4
|
1.0
|
|
HE1
|
E:HIS442
|
4.0
|
124.5
|
1.0
|
|
N
|
E:GLY356
|
4.1
|
105.2
|
1.0
|
|
CA
|
E:GLY356
|
4.1
|
97.7
|
1.0
|
|
CE1
|
E:HIS442
|
4.1
|
103.0
|
1.0
|
|
H
|
E:GLY357
|
4.2
|
122.9
|
1.0
|
|
S1A
|
E:ICS602
|
4.3
|
97.7
|
1.0
|
|
S4A
|
E:ICS602
|
4.3
|
93.8
|
1.0
|
|
HG23
|
E:ILE355
|
4.4
|
110.1
|
1.0
|
|
HZ
|
E:PHE381
|
4.4
|
129.0
|
1.0
|
|
S2B
|
E:ICS602
|
4.5
|
99.7
|
1.0
|
|
S5A
|
E:ICS602
|
4.5
|
90.5
|
1.0
|
|
HG3
|
E:ARG359
|
4.5
|
118.0
|
1.0
|
|
HA
|
E:HIS442
|
4.6
|
107.2
|
1.0
|
|
CD
|
E:ARG359
|
4.6
|
76.5
|
1.0
|
|
O7
|
E:HCA601
|
4.7
|
85.7
|
1.0
|
|
HA2
|
E:GLY356
|
4.7
|
118.1
|
1.0
|
|
HB
|
E:ILE355
|
4.8
|
122.7
|
1.0
|
|
CG
|
E:HIS442
|
4.8
|
98.6
|
1.0
|
|
N
|
E:GLY357
|
4.8
|
101.7
|
1.0
|
|
H
|
E:ARG359
|
4.9
|
116.0
|
1.0
|
|
HH11
|
E:ARG359
|
4.9
|
108.6
|
1.0
|
|
CB
|
E:ILE355
|
4.9
|
101.5
|
1.0
|
|
NE
|
E:ARG359
|
4.9
|
88.2
|
1.0
|
|
HB2
|
E:ARG359
|
5.0
|
120.4
|
1.0
|
|
FE1
|
E:ICS602
|
5.0
|
89.9
|
1.0
|
|
Iron binding site 6 out
of 30 in 29ul
Go back to
Iron Binding Sites List in 29ul
Iron binding site 6 out
of 30 in the Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe602
b:99.8
occ:1.00
|
FE6
|
E:ICS602
|
0.0
|
99.8
|
1.0
|
|
CX
|
E:ICS602
|
2.0
|
122.4
|
1.0
|
|
S2B
|
E:ICS602
|
2.2
|
99.7
|
1.0
|
|
S3B
|
E:ICS602
|
2.2
|
88.4
|
1.0
|
|
S1B
|
E:ICS602
|
2.2
|
89.0
|
1.0
|
|
FE7
|
E:ICS602
|
2.6
|
87.4
|
1.0
|
|
FE2
|
E:ICS602
|
2.6
|
104.7
|
1.0
|
|
FE5
|
E:ICS602
|
2.6
|
102.4
|
1.0
|
|
MO1
|
E:ICS602
|
2.7
|
87.1
|
1.0
|
|
HZ
|
E:PHE381
|
3.3
|
129.0
|
1.0
|
|
FE3
|
E:ICS602
|
3.7
|
95.6
|
1.0
|
|
O7
|
E:HCA601
|
3.7
|
85.7
|
1.0
|
|
FE4
|
E:ICS602
|
3.7
|
97.7
|
1.0
|
|
S4B
|
E:ICS602
|
3.8
|
84.0
|
1.0
|
|
HG13
|
E:VAL70
|
4.1
|
110.7
|
1.0
|
|
HA3
|
E:GLY356
|
4.1
|
118.1
|
1.0
|
|
HG11
|
E:VAL70
|
4.1
|
110.7
|
1.0
|
|
CZ
|
E:PHE381
|
4.2
|
106.8
|
1.0
|
|
S2A
|
E:ICS602
|
4.3
|
89.0
|
1.0
|
|
S1A
|
E:ICS602
|
4.3
|
97.7
|
1.0
|
|
O2
|
E:HCA601
|
4.4
|
89.7
|
1.0
|
|
S5A
|
E:ICS602
|
4.4
|
90.5
|
1.0
|
|
HE2
|
E:PHE381
|
4.5
|
132.2
|
1.0
|
|
S3A
|
E:ICS602
|
4.6
|
87.2
|
1.0
|
|
HE
|
E:ARG96
|
4.6
|
123.6
|
1.0
|
|
CG1
|
E:VAL70
|
4.6
|
91.5
|
1.0
|
|
HG21
|
E:VAL70
|
4.6
|
103.9
|
1.0
|
|
HE2
|
E:HIS195
|
4.7
|
116.5
|
1.0
|
|
HE1
|
E:HIS442
|
4.7
|
124.5
|
1.0
|
|
ND1
|
E:HIS442
|
4.7
|
96.8
|
1.0
|
|
HH21
|
E:ARG96
|
4.8
|
121.8
|
1.0
|
|
CE2
|
E:PHE381
|
4.8
|
109.4
|
1.0
|
|
HG22
|
E:VAL70
|
4.9
|
103.9
|
1.0
|
|
O6
|
E:HCA601
|
4.9
|
87.4
|
1.0
|
|
C3
|
E:HCA601
|
5.0
|
99.4
|
1.0
|
|
Iron binding site 7 out
of 30 in 29ul
Go back to
Iron Binding Sites List in 29ul
Iron binding site 7 out
of 30 in the Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe602
b:87.4
occ:1.00
|
FE7
|
E:ICS602
|
0.0
|
87.4
|
1.0
|
|
CX
|
E:ICS602
|
2.0
|
122.4
|
1.0
|
|
S5A
|
E:ICS602
|
2.2
|
90.5
|
1.0
|
|
S4B
|
E:ICS602
|
2.2
|
84.0
|
1.0
|
|
S3B
|
E:ICS602
|
2.3
|
88.4
|
1.0
|
|
FE6
|
E:ICS602
|
2.6
|
99.8
|
1.0
|
|
FE3
|
E:ICS602
|
2.6
|
95.6
|
1.0
|
|
FE5
|
E:ICS602
|
2.6
|
102.4
|
1.0
|
|
MO1
|
E:ICS602
|
2.7
|
87.1
|
1.0
|
|
HE
|
E:ARG96
|
3.3
|
123.6
|
1.0
|
|
HH21
|
E:ARG96
|
3.6
|
121.8
|
1.0
|
|
FE4
|
E:ICS602
|
3.7
|
97.7
|
1.0
|
|
FE2
|
E:ICS602
|
3.7
|
104.7
|
1.0
|
|
S1B
|
E:ICS602
|
3.8
|
89.0
|
1.0
|
|
NE
|
E:ARG96
|
4.1
|
102.3
|
1.0
|
|
O6
|
E:HCA601
|
4.2
|
87.4
|
1.0
|
|
S4A
|
E:ICS602
|
4.3
|
93.8
|
1.0
|
|
S2A
|
E:ICS602
|
4.3
|
89.0
|
1.0
|
|
S2B
|
E:ICS602
|
4.4
|
99.7
|
1.0
|
|
NH2
|
E:ARG96
|
4.4
|
100.8
|
1.0
|
|
O7
|
E:HCA601
|
4.4
|
85.7
|
1.0
|
|
HG13
|
E:VAL70
|
4.4
|
110.7
|
1.0
|
|
HG13
|
E:ILE231
|
4.4
|
94.7
|
1.0
|
|
S3A
|
E:ICS602
|
4.5
|
87.2
|
1.0
|
|
CZ
|
E:ARG359
|
4.6
|
88.7
|
1.0
|
|
HA
|
E:HIS442
|
4.6
|
107.2
|
1.0
|
|
NH1
|
E:ARG359
|
4.7
|
89.8
|
1.0
|
|
HD2
|
E:ARG359
|
4.7
|
92.6
|
1.0
|
|
ND1
|
E:HIS442
|
4.7
|
96.8
|
1.0
|
|
HH12
|
E:ARG359
|
4.8
|
108.6
|
1.0
|
|
CZ
|
E:ARG96
|
4.8
|
92.0
|
1.0
|
|
HD2
|
E:ARG96
|
4.8
|
117.7
|
1.0
|
|
NH2
|
E:ARG359
|
4.8
|
93.6
|
1.0
|
|
HB3
|
E:HIS442
|
4.8
|
108.8
|
1.0
|
|
HH11
|
E:ARG359
|
4.8
|
108.6
|
1.0
|
|
NE
|
E:ARG359
|
4.9
|
88.2
|
1.0
|
|
HH22
|
E:ARG359
|
4.9
|
113.2
|
1.0
|
|
Iron binding site 8 out
of 30 in 29ul
Go back to
Iron Binding Sites List in 29ul
Iron binding site 8 out
of 30 in the Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe601
b:123.5
occ:1.00
|
FE1
|
F:1CL601
|
0.0
|
123.5
|
1.0
|
|
S2A
|
F:1CL601
|
2.3
|
103.6
|
1.0
|
|
S3A
|
F:1CL601
|
2.3
|
100.9
|
1.0
|
|
S1
|
F:1CL601
|
2.4
|
153.1
|
1.0
|
|
FE2
|
F:1CL601
|
2.5
|
132.1
|
1.0
|
|
SG
|
E:CYS154
|
2.5
|
109.2
|
1.0
|
|
FE4
|
F:1CL601
|
2.6
|
138.8
|
1.0
|
|
FE3
|
F:1CL601
|
2.7
|
104.5
|
1.0
|
|
H
|
E:CYS154
|
3.1
|
119.2
|
1.0
|
|
HA3
|
E:GLY185
|
3.1
|
143.0
|
1.0
|
|
HG
|
F:SER92
|
3.1
|
142.7
|
1.0
|
|
HB2
|
E:CYS154
|
3.1
|
131.1
|
1.0
|
|
CB
|
E:CYS154
|
3.4
|
108.5
|
1.0
|
|
H
|
E:GLY185
|
3.6
|
129.5
|
1.0
|
|
OG
|
F:SER92
|
3.8
|
118.2
|
1.0
|
|
S4A
|
F:1CL601
|
3.8
|
116.9
|
1.0
|
|
N
|
E:CYS154
|
3.8
|
98.6
|
1.0
|
|
CA
|
E:GLY185
|
4.0
|
118.4
|
1.0
|
|
N
|
E:GLY185
|
4.2
|
107.2
|
1.0
|
|
CA
|
E:CYS154
|
4.2
|
111.6
|
1.0
|
|
SG
|
F:CYS95
|
4.2
|
102.5
|
1.0
|
|
HB3
|
E:CYS154
|
4.2
|
131.1
|
1.0
|
|
FE8
|
F:1CL601
|
4.3
|
109.2
|
1.0
|
|
HB2
|
F:SER92
|
4.3
|
143.3
|
1.0
|
|
HA
|
E:CYS154
|
4.4
|
134.8
|
1.0
|
|
HA2
|
E:GLY185
|
4.5
|
143.0
|
1.0
|
|
HB3
|
E:GLU153
|
4.5
|
137.6
|
1.0
|
|
SG
|
E:CYS88
|
4.5
|
111.2
|
1.0
|
|
CB
|
F:SER92
|
4.6
|
118.7
|
1.0
|
|
HA
|
E:GLU153
|
4.7
|
128.4
|
1.0
|
|
HD3
|
E:PRO155
|
4.7
|
118.6
|
1.0
|
|
HB3
|
F:SER92
|
4.8
|
143.3
|
1.0
|
|
HB3
|
E:TYR64
|
4.8
|
133.3
|
1.0
|
|
HB2
|
F:MET154
|
4.8
|
167.4
|
1.0
|
|
C
|
E:GLY185
|
4.9
|
121.7
|
1.0
|
|
SG
|
E:CYS62
|
4.9
|
104.4
|
1.0
|
|
C
|
E:GLU153
|
5.0
|
99.0
|
1.0
|
|
HB2
|
E:CYS62
|
5.0
|
138.6
|
1.0
|
|
SG
|
F:CYS153
|
5.0
|
105.8
|
1.0
|
|
Iron binding site 9 out
of 30 in 29ul
Go back to
Iron Binding Sites List in 29ul
Iron binding site 9 out
of 30 in the Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe601
b:132.1
occ:1.00
|
FE2
|
F:1CL601
|
0.0
|
132.1
|
1.0
|
|
S4A
|
F:1CL601
|
2.3
|
116.9
|
1.0
|
|
SG
|
F:CYS95
|
2.3
|
102.5
|
1.0
|
|
S2A
|
F:1CL601
|
2.3
|
103.6
|
1.0
|
|
S1
|
F:1CL601
|
2.5
|
153.1
|
1.0
|
|
FE1
|
F:1CL601
|
2.5
|
123.5
|
1.0
|
|
FE4
|
F:1CL601
|
2.6
|
138.8
|
1.0
|
|
FE3
|
F:1CL601
|
2.8
|
104.5
|
1.0
|
|
FE8
|
F:1CL601
|
3.0
|
109.2
|
1.0
|
|
H
|
F:CYS95
|
3.0
|
145.8
|
1.0
|
|
N
|
F:CYS95
|
3.2
|
120.8
|
1.0
|
|
HA
|
F:CYS95
|
3.4
|
127.6
|
1.0
|
|
CB
|
F:CYS95
|
3.6
|
110.1
|
1.0
|
|
CA
|
F:CYS95
|
3.6
|
105.6
|
1.0
|
|
HG
|
F:SER92
|
3.7
|
142.7
|
1.0
|
|
S3A
|
F:1CL601
|
3.8
|
100.9
|
1.0
|
|
C
|
F:GLY94
|
3.8
|
127.1
|
1.0
|
|
S4B
|
F:1CL601
|
3.9
|
107.1
|
1.0
|
|
HA3
|
F:GLY94
|
3.9
|
155.2
|
1.0
|
|
OG
|
F:SER92
|
3.9
|
118.2
|
1.0
|
|
HB3
|
F:CYS95
|
4.1
|
133.0
|
1.0
|
|
HB2
|
F:CYS95
|
4.2
|
133.0
|
1.0
|
|
SG
|
E:CYS88
|
4.3
|
111.2
|
1.0
|
|
CA
|
F:GLY94
|
4.3
|
128.6
|
1.0
|
|
HB2
|
F:SER92
|
4.4
|
143.3
|
1.0
|
|
O
|
F:GLY94
|
4.5
|
110.3
|
1.0
|
|
FE5
|
F:1CL601
|
4.7
|
112.2
|
1.0
|
|
SG
|
E:CYS62
|
4.7
|
104.4
|
1.0
|
|
HB
|
F:THR152
|
4.7
|
152.2
|
1.0
|
|
H
|
F:GLY94
|
4.8
|
144.8
|
1.0
|
|
CB
|
F:SER92
|
4.8
|
118.7
|
1.0
|
|
N
|
F:GLY94
|
4.8
|
119.9
|
1.0
|
|
SG
|
E:CYS154
|
4.8
|
109.2
|
1.0
|
|
HA3
|
E:GLY185
|
4.8
|
143.0
|
1.0
|
|
HB3
|
E:CYS62
|
5.0
|
138.6
|
1.0
|
|
Iron binding site 10 out
of 30 in 29ul
Go back to
Iron Binding Sites List in 29ul
Iron binding site 10 out
of 30 in the Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Mo-Nitrogenase, Mofe Protein, P3+ Redox State, +150 Mv within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe601
b:104.5
occ:1.00
|
FE3
|
F:1CL601
|
0.0
|
104.5
|
1.0
|
|
S4A
|
F:1CL601
|
2.3
|
116.9
|
1.0
|
|
S2A
|
F:1CL601
|
2.3
|
103.6
|
1.0
|
|
S3A
|
F:1CL601
|
2.3
|
100.9
|
1.0
|
|
SG
|
E:CYS62
|
2.4
|
104.4
|
1.0
|
|
FE4
|
F:1CL601
|
2.7
|
138.8
|
1.0
|
|
FE1
|
F:1CL601
|
2.7
|
123.5
|
1.0
|
|
FE2
|
F:1CL601
|
2.8
|
132.1
|
1.0
|
|
HB3
|
E:TYR64
|
2.8
|
133.3
|
1.0
|
|
HA3
|
E:GLY185
|
3.3
|
143.0
|
1.0
|
|
HA3
|
F:GLY94
|
3.4
|
155.2
|
1.0
|
|
CB
|
E:CYS62
|
3.4
|
114.7
|
1.0
|
|
HB2
|
E:CYS62
|
3.4
|
138.6
|
1.0
|
|
HB3
|
E:CYS62
|
3.5
|
138.6
|
1.0
|
|
CB
|
E:TYR64
|
3.7
|
110.3
|
1.0
|
|
HB2
|
E:TYR64
|
3.9
|
133.3
|
1.0
|
|
HA2
|
E:GLY185
|
3.9
|
143.0
|
1.0
|
|
HD2
|
E:TYR64
|
3.9
|
126.6
|
1.0
|
|
CA
|
E:GLY185
|
4.0
|
118.4
|
1.0
|
|
H
|
E:TYR64
|
4.1
|
133.0
|
1.0
|
|
S1
|
F:1CL601
|
4.2
|
153.1
|
1.0
|
|
CA
|
F:GLY94
|
4.3
|
128.6
|
1.0
|
|
CG
|
E:TYR64
|
4.3
|
110.8
|
1.0
|
|
CD2
|
E:TYR64
|
4.3
|
104.8
|
1.0
|
|
H
|
E:ALA65
|
4.4
|
129.2
|
1.0
|
|
H
|
E:GLY185
|
4.4
|
129.5
|
1.0
|
|
C
|
F:GLY94
|
4.5
|
127.1
|
1.0
|
|
SG
|
E:CYS88
|
4.5
|
111.2
|
1.0
|
|
N
|
E:GLY185
|
4.6
|
107.2
|
1.0
|
|
H
|
F:CYS95
|
4.6
|
145.8
|
1.0
|
|
N
|
F:CYS95
|
4.7
|
120.8
|
1.0
|
|
N
|
E:TYR64
|
4.7
|
110.1
|
1.0
|
|
CA
|
E:TYR64
|
4.8
|
107.7
|
1.0
|
|
CA
|
E:CYS62
|
4.8
|
101.6
|
1.0
|
|
H
|
F:GLY94
|
4.8
|
144.8
|
1.0
|
|
SG
|
E:CYS154
|
4.8
|
109.2
|
1.0
|
|
HA2
|
F:GLY94
|
4.8
|
155.2
|
1.0
|
|
HG
|
F:SER92
|
4.9
|
142.7
|
1.0
|
|
H
|
E:CYS154
|
4.9
|
119.2
|
1.0
|
|
HB2
|
F:SER92
|
5.0
|
143.3
|
1.0
|
|
O
|
F:GLY94
|
5.0
|
110.3
|
1.0
|
|
H
|
E:CYS62
|
5.0
|
124.6
|
1.0
|
|
SG
|
F:CYS95
|
5.0
|
102.5
|
1.0
|
|
Reference:
S.Laxmi,
W.K.Myers,
Z.Y.Yang,
L.C.Seefeldt,
S.B.Carr,
K.A.Vincent.
Structural Characterization of Four Redox States of the P-Cluster in Molybdenum Nitrogenase Via Electrochemical Control of Crystals J.Am.Chem.Soc. 2026.
ISSN: ESSN 1520-5126
DOI: 10.1021/JACS.6C08522
Page generated: Sun Oct 4 09:43:35 2026
|
