Iron in PDB 4ud2: Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase
Enzymatic activity of Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase
All present enzymatic activity of Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase:
1.12.2.1;
Protein crystallography data
The structure of Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase, PDB code: 4ud2
was solved by
A.Volbeda,
L.Martin,
P.-P.Liebgott,
J.C.Fontecilla-Camps,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
25.00 /
2.30
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
65.010,
100.170,
183.980,
90.00,
91.42,
90.00
|
R / Rfree (%)
|
17.308 /
20.688
|
Other elements in 4ud2:
The structure of Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase also contains other interesting chemical elements:
Iron Binding Sites:
Iron binding site 1 out
of 36 in 4ud2
Go back to
Iron Binding Sites List in 4ud2
Iron binding site 1 out
of 36 in the Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_01.jpg) Mono view
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1265
b:20.7
occ:1.00
|
FE1
|
A:SF41265
|
0.0
|
20.7
|
1.0
|
S3
|
A:SF41265
|
2.3
|
18.1
|
1.0
|
S2
|
A:SF41265
|
2.3
|
20.0
|
1.0
|
SG
|
A:CYS218
|
2.3
|
20.9
|
1.0
|
S4
|
A:SF41265
|
2.3
|
22.2
|
1.0
|
FE4
|
A:SF41265
|
2.6
|
21.4
|
1.0
|
FE3
|
A:SF41265
|
2.8
|
21.1
|
1.0
|
FE2
|
A:SF41265
|
2.8
|
23.8
|
1.0
|
CB
|
A:CYS218
|
3.2
|
20.0
|
1.0
|
S1
|
A:SF41265
|
3.8
|
20.7
|
1.0
|
CD
|
A:PRO221
|
4.5
|
28.7
|
1.0
|
N
|
A:GLY220
|
4.5
|
21.1
|
1.0
|
CA
|
A:GLY220
|
4.5
|
21.0
|
1.0
|
ND1
|
A:HIS184
|
4.6
|
22.0
|
1.0
|
CA
|
A:CYS218
|
4.6
|
19.6
|
1.0
|
CG2
|
A:VAL239
|
4.6
|
20.4
|
1.0
|
SG
|
A:CYS212
|
4.7
|
23.9
|
1.0
|
C
|
A:CYS218
|
4.8
|
20.0
|
1.0
|
N
|
A:LEU213
|
4.9
|
22.9
|
1.0
|
SG
|
A:CYS187
|
4.9
|
24.4
|
1.0
|
N
|
A:TYR214
|
4.9
|
22.5
|
1.0
|
|
Iron binding site 2 out
of 36 in 4ud2
Go back to
Iron Binding Sites List in 4ud2
Iron binding site 2 out
of 36 in the Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_02.jpg) Mono view
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1265
b:23.8
occ:1.00
|
FE2
|
A:SF41265
|
0.0
|
23.8
|
1.0
|
S1
|
A:SF41265
|
2.2
|
20.7
|
1.0
|
S4
|
A:SF41265
|
2.3
|
22.2
|
1.0
|
SG
|
A:CYS212
|
2.3
|
23.9
|
1.0
|
S3
|
A:SF41265
|
2.3
|
18.1
|
1.0
|
FE4
|
A:SF41265
|
2.8
|
21.4
|
1.0
|
FE1
|
A:SF41265
|
2.8
|
20.7
|
1.0
|
FE3
|
A:SF41265
|
2.8
|
21.1
|
1.0
|
CB
|
A:CYS212
|
3.3
|
21.6
|
1.0
|
N
|
A:LEU213
|
3.7
|
22.9
|
1.0
|
CA
|
A:CYS212
|
3.7
|
24.1
|
1.0
|
S2
|
A:SF41265
|
3.9
|
20.0
|
1.0
|
C
|
A:CYS212
|
4.1
|
22.9
|
1.0
|
N
|
A:TYR214
|
4.3
|
22.5
|
1.0
|
CB
|
A:PHE193
|
4.4
|
21.8
|
1.0
|
CB
|
A:ARG189
|
4.5
|
24.4
|
1.0
|
CD2
|
A:PHE193
|
4.5
|
21.1
|
1.0
|
ND1
|
A:HIS184
|
4.6
|
22.0
|
1.0
|
O
|
A:ARG189
|
4.7
|
31.2
|
1.0
|
CE1
|
A:HIS184
|
4.7
|
22.2
|
1.0
|
CB
|
A:TYR214
|
4.7
|
23.2
|
1.0
|
CA
|
A:LEU213
|
4.7
|
22.9
|
1.0
|
SG
|
A:CYS218
|
4.8
|
20.9
|
1.0
|
C
|
A:LEU213
|
4.9
|
23.5
|
1.0
|
CG
|
A:PHE193
|
4.9
|
23.4
|
1.0
|
C
|
A:ARG189
|
4.9
|
26.7
|
1.0
|
SG
|
A:CYS187
|
4.9
|
24.4
|
1.0
|
CA
|
A:TYR214
|
4.9
|
23.3
|
1.0
|
|
Iron binding site 3 out
of 36 in 4ud2
Go back to
Iron Binding Sites List in 4ud2
Iron binding site 3 out
of 36 in the Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_03.jpg) Mono view
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1265
b:21.1
occ:1.00
|
FE3
|
A:SF41265
|
0.0
|
21.1
|
1.0
|
S1
|
A:SF41265
|
2.3
|
20.7
|
1.0
|
SG
|
A:CYS187
|
2.3
|
24.4
|
1.0
|
S4
|
A:SF41265
|
2.3
|
22.2
|
1.0
|
S2
|
A:SF41265
|
2.3
|
20.0
|
1.0
|
FE1
|
A:SF41265
|
2.8
|
20.7
|
1.0
|
FE2
|
A:SF41265
|
2.8
|
23.8
|
1.0
|
FE4
|
A:SF41265
|
2.9
|
21.4
|
1.0
|
CB
|
A:CYS187
|
3.0
|
22.2
|
1.0
|
S3
|
A:SF41265
|
3.9
|
18.1
|
1.0
|
CB
|
A:ARG189
|
4.0
|
24.4
|
1.0
|
CG1
|
A:VAL239
|
4.3
|
23.8
|
1.0
|
CA
|
A:CYS187
|
4.5
|
25.7
|
1.0
|
ND1
|
A:HIS184
|
4.5
|
22.0
|
1.0
|
CA
|
A:ARG189
|
4.6
|
24.0
|
1.0
|
N
|
A:ARG189
|
4.6
|
25.8
|
1.0
|
C
|
A:ARG189
|
4.6
|
26.7
|
1.0
|
N
|
A:LEU190
|
4.7
|
25.0
|
1.0
|
CG2
|
A:VAL239
|
4.7
|
20.4
|
1.0
|
CG
|
A:ARG189
|
4.7
|
20.8
|
1.0
|
SG
|
A:CYS218
|
4.8
|
20.9
|
1.0
|
C
|
A:CYS187
|
4.9
|
25.8
|
1.0
|
CH2
|
A:TRP237
|
5.0
|
21.9
|
1.0
|
|
Iron binding site 4 out
of 36 in 4ud2
Go back to
Iron Binding Sites List in 4ud2
Iron binding site 4 out
of 36 in the Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_04.jpg) Mono view
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_04_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1265
b:21.4
occ:1.00
|
FE4
|
A:SF41265
|
0.0
|
21.4
|
1.0
|
ND1
|
A:HIS184
|
2.0
|
22.0
|
1.0
|
S3
|
A:SF41265
|
2.2
|
18.1
|
1.0
|
S2
|
A:SF41265
|
2.3
|
20.0
|
1.0
|
S1
|
A:SF41265
|
2.3
|
20.7
|
1.0
|
FE1
|
A:SF41265
|
2.6
|
20.7
|
1.0
|
CE1
|
A:HIS184
|
2.8
|
22.2
|
1.0
|
FE2
|
A:SF41265
|
2.8
|
23.8
|
1.0
|
FE3
|
A:SF41265
|
2.9
|
21.1
|
1.0
|
CG
|
A:HIS184
|
3.2
|
21.3
|
1.0
|
CB
|
A:HIS184
|
3.8
|
20.7
|
1.0
|
S4
|
A:SF41265
|
3.8
|
22.2
|
1.0
|
NE2
|
A:HIS184
|
4.0
|
21.0
|
1.0
|
CA
|
A:HIS184
|
4.1
|
21.8
|
1.0
|
CG
|
A:PRO221
|
4.1
|
33.6
|
1.0
|
CD
|
A:PRO221
|
4.2
|
28.7
|
1.0
|
CD2
|
A:HIS184
|
4.2
|
21.7
|
1.0
|
O
|
A:HIS184
|
4.6
|
22.9
|
1.0
|
CB
|
A:CYS187
|
4.6
|
22.2
|
1.0
|
SG
|
A:CYS212
|
4.6
|
23.9
|
1.0
|
CD2
|
A:PHE193
|
4.7
|
21.1
|
1.0
|
N
|
A:PRO221
|
4.7
|
27.3
|
1.0
|
SG
|
A:CYS218
|
4.7
|
20.9
|
1.0
|
SG
|
A:CYS187
|
4.8
|
24.4
|
1.0
|
C
|
A:HIS184
|
4.8
|
23.0
|
1.0
|
CA
|
A:GLY220
|
4.9
|
21.0
|
1.0
|
CG
|
A:PHE193
|
5.0
|
23.4
|
1.0
|
|
Iron binding site 5 out
of 36 in 4ud2
Go back to
Iron Binding Sites List in 4ud2
Iron binding site 5 out
of 36 in the Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_05.jpg) Mono view
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_05_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1266
b:19.3
occ:1.00
|
FE1
|
A:F3S1266
|
0.0
|
19.3
|
1.0
|
S1
|
A:F3S1266
|
2.2
|
16.4
|
1.0
|
S3
|
A:F3S1266
|
2.2
|
19.2
|
1.0
|
S2
|
A:F3S1266
|
2.2
|
22.4
|
1.0
|
SG
|
A:CYS248
|
2.3
|
16.6
|
1.0
|
FE3
|
A:F3S1266
|
2.6
|
18.9
|
1.0
|
FE4
|
A:F3S1266
|
2.8
|
20.0
|
1.0
|
CB
|
A:CYS248
|
3.4
|
14.8
|
1.0
|
S4
|
A:F3S1266
|
3.7
|
20.9
|
1.0
|
N
|
A:CYS248
|
3.8
|
17.0
|
1.0
|
O
|
A:HOH2166
|
3.9
|
21.0
|
1.0
|
CA
|
A:CYS248
|
4.1
|
16.2
|
1.0
|
O
|
A:HOH2110
|
4.3
|
8.7
|
1.0
|
ND2
|
A:ASN225
|
4.6
|
25.1
|
1.0
|
C
|
A:CYS248
|
4.7
|
18.4
|
1.0
|
N
|
A:SER249
|
4.7
|
19.0
|
1.0
|
SG
|
A:CYS245
|
4.7
|
18.7
|
1.0
|
SG
|
A:CYS227
|
4.8
|
21.1
|
1.0
|
C
|
A:GLY247
|
4.9
|
18.1
|
1.0
|
N
|
A:GLY247
|
4.9
|
15.9
|
1.0
|
|
Iron binding site 6 out
of 36 in 4ud2
Go back to
Iron Binding Sites List in 4ud2
Iron binding site 6 out
of 36 in the Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_06.jpg) Mono view
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_06_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1266
b:18.9
occ:1.00
|
FE3
|
A:F3S1266
|
0.0
|
18.9
|
1.0
|
S4
|
A:F3S1266
|
2.2
|
20.9
|
1.0
|
S3
|
A:F3S1266
|
2.2
|
19.2
|
1.0
|
S1
|
A:F3S1266
|
2.2
|
16.4
|
1.0
|
SG
|
A:CYS245
|
2.3
|
18.7
|
1.0
|
FE1
|
A:F3S1266
|
2.6
|
19.3
|
1.0
|
FE4
|
A:F3S1266
|
2.7
|
20.0
|
1.0
|
CB
|
A:CYS245
|
3.3
|
17.8
|
1.0
|
CA
|
A:CYS245
|
3.7
|
17.8
|
1.0
|
S2
|
A:F3S1266
|
3.9
|
22.4
|
1.0
|
N
|
A:LEU246
|
3.9
|
16.7
|
1.0
|
N
|
A:GLY247
|
4.1
|
15.9
|
1.0
|
C
|
A:CYS245
|
4.2
|
17.4
|
1.0
|
N
|
A:CYS248
|
4.6
|
17.0
|
1.0
|
CG2
|
A:THR223
|
4.7
|
16.6
|
1.0
|
CA
|
A:GLY247
|
4.7
|
16.2
|
1.0
|
SG
|
A:CYS248
|
4.8
|
16.6
|
1.0
|
NE2
|
Q:GLN230
|
4.8
|
21.8
|
1.0
|
SG
|
A:CYS227
|
4.8
|
21.1
|
1.0
|
CG2
|
A:VAL183
|
4.8
|
16.0
|
1.0
|
|
Iron binding site 7 out
of 36 in 4ud2
Go back to
Iron Binding Sites List in 4ud2
Iron binding site 7 out
of 36 in the Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_07.jpg) Mono view
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_07_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1266
b:20.0
occ:1.00
|
FE4
|
A:F3S1266
|
0.0
|
20.0
|
1.0
|
S2
|
A:F3S1266
|
2.2
|
22.4
|
1.0
|
S4
|
A:F3S1266
|
2.2
|
20.9
|
1.0
|
S3
|
A:F3S1266
|
2.3
|
19.2
|
1.0
|
SG
|
A:CYS227
|
2.3
|
21.1
|
1.0
|
FE3
|
A:F3S1266
|
2.7
|
18.9
|
1.0
|
FE1
|
A:F3S1266
|
2.8
|
19.3
|
1.0
|
CB
|
A:CYS227
|
3.4
|
19.9
|
1.0
|
S1
|
A:F3S1266
|
3.9
|
16.4
|
1.0
|
ND2
|
A:ASN225
|
4.0
|
25.1
|
1.0
|
CE1
|
A:PHE232
|
4.4
|
15.7
|
1.0
|
CG
|
A:ASN225
|
4.5
|
26.2
|
1.0
|
CZ
|
A:PHE232
|
4.5
|
15.9
|
1.0
|
O
|
A:HOH2110
|
4.5
|
8.7
|
1.0
|
CB
|
A:ASN225
|
4.6
|
23.2
|
1.0
|
CG2
|
A:VAL183
|
4.7
|
16.0
|
1.0
|
SG
|
A:CYS248
|
4.7
|
16.6
|
1.0
|
CA
|
A:CYS227
|
4.8
|
22.6
|
1.0
|
SG
|
A:CYS245
|
4.8
|
18.7
|
1.0
|
CD
|
A:PRO238
|
5.0
|
19.7
|
1.0
|
|
Iron binding site 8 out
of 36 in 4ud2
Go back to
Iron Binding Sites List in 4ud2
Iron binding site 8 out
of 36 in the Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_08.jpg) Mono view
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_08_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1267
b:17.5
occ:1.00
|
FE1
|
A:SF41267
|
0.0
|
17.5
|
1.0
|
S3
|
A:SF41267
|
2.2
|
16.2
|
1.0
|
S2
|
A:SF41267
|
2.3
|
17.8
|
1.0
|
SG
|
A:CYS17
|
2.3
|
17.6
|
1.0
|
S4
|
A:SF41267
|
2.3
|
16.6
|
1.0
|
FE4
|
A:SF41267
|
2.7
|
16.2
|
1.0
|
FE2
|
A:SF41267
|
2.7
|
17.1
|
1.0
|
FE3
|
A:SF41267
|
2.8
|
18.0
|
1.0
|
CB
|
A:CYS17
|
3.3
|
17.4
|
1.0
|
N
|
A:CYS17
|
3.7
|
20.8
|
1.0
|
S1
|
A:SF41267
|
3.9
|
15.6
|
1.0
|
CA
|
A:CYS17
|
4.0
|
19.5
|
1.0
|
N
|
A:GLY19
|
4.1
|
19.2
|
1.0
|
NE2
|
Q:HIS228
|
4.3
|
19.5
|
1.0
|
CA
|
A:GLY19
|
4.4
|
18.0
|
1.0
|
C
|
A:CYS17
|
4.4
|
19.7
|
1.0
|
N
|
A:THR18
|
4.4
|
19.7
|
1.0
|
N
|
A:CYS20
|
4.7
|
18.4
|
1.0
|
SG
|
A:CYS147
|
4.7
|
17.0
|
1.0
|
SG
|
A:CYS114
|
4.7
|
18.4
|
1.0
|
O
|
A:HOH2093
|
4.7
|
19.9
|
1.0
|
C
|
A:GLU16
|
4.8
|
22.7
|
1.0
|
CG
|
Q:ARG70
|
4.9
|
16.9
|
1.0
|
SG
|
A:CYS20
|
4.9
|
18.7
|
1.0
|
CD2
|
Q:HIS228
|
5.0
|
19.0
|
1.0
|
C
|
A:GLY19
|
5.0
|
19.7
|
1.0
|
|
Iron binding site 9 out
of 36 in 4ud2
Go back to
Iron Binding Sites List in 4ud2
Iron binding site 9 out
of 36 in the Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_09.jpg) Mono view
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_09_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1267
b:17.1
occ:1.00
|
FE2
|
A:SF41267
|
0.0
|
17.1
|
1.0
|
S4
|
A:SF41267
|
2.2
|
16.6
|
1.0
|
SG
|
A:CYS147
|
2.3
|
17.0
|
1.0
|
S3
|
A:SF41267
|
2.3
|
16.2
|
1.0
|
S1
|
A:SF41267
|
2.3
|
15.6
|
1.0
|
FE4
|
A:SF41267
|
2.6
|
16.2
|
1.0
|
FE1
|
A:SF41267
|
2.7
|
17.5
|
1.0
|
FE3
|
A:SF41267
|
2.8
|
18.0
|
1.0
|
CB
|
A:CYS147
|
3.4
|
18.7
|
1.0
|
CA
|
A:CYS147
|
3.5
|
17.7
|
1.0
|
S2
|
A:SF41267
|
3.8
|
17.8
|
1.0
|
C
|
A:CYS147
|
3.9
|
17.6
|
1.0
|
O
|
A:HOH2085
|
4.0
|
15.3
|
1.0
|
CG
|
Q:ARG70
|
4.3
|
16.9
|
1.0
|
O
|
A:CYS147
|
4.3
|
16.6
|
1.0
|
SG
|
A:CYS114
|
4.4
|
18.4
|
1.0
|
N
|
A:PRO148
|
4.4
|
20.2
|
1.0
|
SG
|
A:CYS17
|
4.6
|
17.6
|
1.0
|
CA
|
A:PRO148
|
4.6
|
18.0
|
1.0
|
CD2
|
Q:HIS228
|
4.6
|
19.0
|
1.0
|
O
|
A:GLY146
|
4.6
|
19.0
|
1.0
|
NE2
|
Q:HIS228
|
4.7
|
19.5
|
1.0
|
NE
|
Q:ARG70
|
4.7
|
19.2
|
1.0
|
N
|
A:CYS147
|
4.8
|
19.4
|
1.0
|
SG
|
A:CYS20
|
4.9
|
18.7
|
1.0
|
|
Iron binding site 10 out
of 36 in 4ud2
Go back to
Iron Binding Sites List in 4ud2
Iron binding site 10 out
of 36 in the Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_10.jpg) Mono view
![](/pictures/FE/pdb/ud/4ud2-FE-sphere_10_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Structure of Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1267
b:18.0
occ:1.00
|
FE3
|
A:SF41267
|
0.0
|
18.0
|
1.0
|
S4
|
A:SF41267
|
2.3
|
16.6
|
1.0
|
S1
|
A:SF41267
|
2.3
|
15.6
|
1.0
|
S2
|
A:SF41267
|
2.3
|
17.8
|
1.0
|
SG
|
A:CYS20
|
2.3
|
18.7
|
1.0
|
FE1
|
A:SF41267
|
2.8
|
17.5
|
1.0
|
FE2
|
A:SF41267
|
2.8
|
17.1
|
1.0
|
FE4
|
A:SF41267
|
2.8
|
16.2
|
1.0
|
CB
|
A:CYS20
|
3.6
|
17.3
|
1.0
|
O
|
A:HOH2017
|
3.7
|
18.0
|
1.0
|
N
|
A:CYS20
|
3.7
|
18.4
|
1.0
|
S3
|
A:SF41267
|
4.0
|
16.2
|
1.0
|
CA
|
A:CYS20
|
4.1
|
17.9
|
1.0
|
CB
|
A:PRO148
|
4.2
|
18.1
|
1.0
|
CA
|
A:PRO148
|
4.4
|
18.0
|
1.0
|
C
|
A:GLY19
|
4.5
|
19.7
|
1.0
|
CA
|
A:GLY112
|
4.5
|
18.0
|
1.0
|
SG
|
A:CYS17
|
4.7
|
17.6
|
1.0
|
O
|
A:GLY146
|
4.8
|
19.0
|
1.0
|
CA
|
A:GLY19
|
4.8
|
18.0
|
1.0
|
N
|
A:GLY19
|
4.8
|
19.2
|
1.0
|
CA
|
A:CYS147
|
4.8
|
17.7
|
1.0
|
N
|
A:PRO148
|
4.9
|
20.2
|
1.0
|
SG
|
A:CYS147
|
4.9
|
17.0
|
1.0
|
SG
|
A:CYS114
|
5.0
|
18.4
|
1.0
|
|
Reference:
A.Volbeda,
L.Martin,
P.-P.Liebgott,
A.L.De Lacey,
J.C.Fontecilla-Camps.
[Nife]-Hydrogenases Revisited: Nickel-Carboxamido Bond Formation in A Variant with Accrued O2-Tolerance and A Tentative Re-Interpretation of Ni-Si States. Metallomics 2015.
ISSN: ESSN 1756-591X
PubMed: 25780984
DOI: 10.1039/C4MT00309H
Page generated: Mon Aug 5 12:07:10 2024
|