Iron in PDB 4upe: Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase
Enzymatic activity of Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase
All present enzymatic activity of Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase:
1.12.2.1;
Protein crystallography data
The structure of Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase, PDB code: 4upe
was solved by
A.Volbeda,
L.Martin,
E.Barbier,
O.Gutierrez-Sanz,
A.L.Delacey,
P.P.Liebgott,
S.Dementin,
M.Rousset,
J.C.Fontecilla-Camps,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.83 /
1.80
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
65.430,
98.960,
184.950,
90.00,
91.19,
90.00
|
R / Rfree (%)
|
15.09 /
18.977
|
Other elements in 4upe:
The structure of Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase also contains other interesting chemical elements:
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
30;
Page 4, Binding sites: 31 -
36;
Binding sites:
The binding sites of Iron atom in the Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase
(pdb code 4upe). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 36 binding sites of Iron where determined in the
Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase, PDB code: 4upe:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 36 in 4upe
Go back to
Iron Binding Sites List in 4upe
Iron binding site 1 out
of 36 in the Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/up/4upe-FE-sphere_01.jpg) Mono view
![](/pictures/FE/pdb/up/4upe-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 the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1265
b:14.6
occ:1.00
|
FE1
|
A:SF41265
|
0.0
|
14.6
|
1.0
|
S4
|
A:SF41265
|
2.2
|
17.1
|
1.0
|
SG
|
A:CYS212
|
2.3
|
15.8
|
1.0
|
S3
|
A:SF41265
|
2.3
|
15.4
|
1.0
|
S2
|
A:SF41265
|
2.4
|
13.7
|
1.0
|
FE4
|
A:SF41265
|
2.7
|
15.7
|
1.0
|
FE3
|
A:SF41265
|
2.7
|
14.5
|
1.0
|
FE2
|
A:SF41265
|
2.8
|
14.4
|
1.0
|
CB
|
A:CYS212
|
3.4
|
15.2
|
1.0
|
N
|
A:LEU213
|
3.7
|
12.7
|
1.0
|
CA
|
A:CYS212
|
3.9
|
14.7
|
1.0
|
S1
|
A:SF41265
|
4.0
|
13.2
|
1.0
|
CB
|
A:PHE193
|
4.2
|
16.8
|
1.0
|
C
|
A:CYS212
|
4.3
|
14.2
|
1.0
|
N
|
A:TYR214
|
4.3
|
12.7
|
1.0
|
CD2
|
A:PHE193
|
4.4
|
16.8
|
1.0
|
CB
|
A:ARG189
|
4.5
|
13.6
|
1.0
|
ND1
|
A:HIS184
|
4.5
|
16.0
|
1.0
|
CB
|
A:TYR214
|
4.7
|
12.4
|
1.0
|
CG
|
A:PHE193
|
4.7
|
17.5
|
1.0
|
O
|
A:ARG189
|
4.7
|
16.0
|
1.0
|
CE1
|
A:HIS184
|
4.7
|
17.0
|
1.0
|
CA
|
A:LEU213
|
4.8
|
12.2
|
1.0
|
SG
|
A:CYS218
|
4.9
|
11.8
|
1.0
|
C
|
A:LEU213
|
4.9
|
12.3
|
1.0
|
SG
|
A:CYS187
|
4.9
|
14.8
|
1.0
|
CA
|
A:TYR214
|
4.9
|
12.9
|
1.0
|
C
|
A:ARG189
|
4.9
|
15.7
|
1.0
|
CB
|
A:CYS218
|
5.0
|
11.5
|
1.0
|
|
Iron binding site 2 out
of 36 in 4upe
Go back to
Iron Binding Sites List in 4upe
Iron binding site 2 out
of 36 in the Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/up/4upe-FE-sphere_02.jpg) Mono view
![](/pictures/FE/pdb/up/4upe-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 the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1265
b:14.4
occ:1.00
|
FE2
|
A:SF41265
|
0.0
|
14.4
|
1.0
|
S2
|
A:SF41265
|
2.2
|
13.7
|
1.0
|
SG
|
A:CYS218
|
2.3
|
11.8
|
1.0
|
S1
|
A:SF41265
|
2.3
|
13.2
|
1.0
|
S3
|
A:SF41265
|
2.4
|
15.4
|
1.0
|
FE4
|
A:SF41265
|
2.7
|
15.7
|
1.0
|
FE3
|
A:SF41265
|
2.7
|
14.5
|
1.0
|
FE1
|
A:SF41265
|
2.8
|
14.6
|
1.0
|
CB
|
A:CYS218
|
3.1
|
11.5
|
1.0
|
S4
|
A:SF41265
|
3.9
|
17.1
|
1.0
|
CG2
|
A:VAL239
|
4.4
|
13.2
|
1.0
|
N
|
A:GLY220
|
4.5
|
12.8
|
1.0
|
CA
|
A:CYS218
|
4.5
|
11.5
|
1.0
|
CA
|
A:GLY220
|
4.6
|
13.2
|
1.0
|
CD
|
A:PRO221
|
4.6
|
13.1
|
1.0
|
ND1
|
A:HIS184
|
4.7
|
16.0
|
1.0
|
SG
|
A:CYS187
|
4.7
|
14.8
|
1.0
|
SG
|
A:CYS212
|
4.7
|
15.8
|
1.0
|
C
|
A:CYS218
|
4.8
|
11.6
|
1.0
|
N
|
A:LEU213
|
4.9
|
12.7
|
1.0
|
O
|
A:CYS218
|
5.0
|
11.4
|
1.0
|
N
|
A:TYR214
|
5.0
|
12.7
|
1.0
|
|
Iron binding site 3 out
of 36 in 4upe
Go back to
Iron Binding Sites List in 4upe
Iron binding site 3 out
of 36 in the Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/up/4upe-FE-sphere_03.jpg) Mono view
![](/pictures/FE/pdb/up/4upe-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 the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1265
b:14.5
occ:1.00
|
FE3
|
A:SF41265
|
0.0
|
14.5
|
1.0
|
SG
|
A:CYS187
|
2.3
|
14.8
|
1.0
|
S1
|
A:SF41265
|
2.3
|
13.2
|
1.0
|
S3
|
A:SF41265
|
2.3
|
15.4
|
1.0
|
S4
|
A:SF41265
|
2.3
|
17.1
|
1.0
|
FE4
|
A:SF41265
|
2.7
|
15.7
|
1.0
|
FE2
|
A:SF41265
|
2.7
|
14.4
|
1.0
|
FE1
|
A:SF41265
|
2.7
|
14.6
|
1.0
|
CB
|
A:CYS187
|
3.1
|
15.7
|
1.0
|
S2
|
A:SF41265
|
3.9
|
13.7
|
1.0
|
CB
|
A:ARG189
|
4.0
|
13.6
|
1.0
|
CG1
|
A:VAL239
|
4.4
|
15.1
|
1.0
|
ND1
|
A:HIS184
|
4.5
|
16.0
|
1.0
|
CA
|
A:CYS187
|
4.5
|
16.4
|
1.0
|
CA
|
A:ARG189
|
4.6
|
15.4
|
1.0
|
N
|
A:ARG189
|
4.6
|
15.3
|
1.0
|
C
|
A:ARG189
|
4.6
|
15.7
|
1.0
|
CG2
|
A:VAL239
|
4.7
|
13.2
|
1.0
|
CG
|
A:ARG189
|
4.7
|
13.6
|
1.0
|
N
|
A:LEU190
|
4.7
|
17.2
|
1.0
|
SG
|
A:CYS218
|
4.8
|
11.8
|
1.0
|
SG
|
A:CYS212
|
5.0
|
15.8
|
1.0
|
C
|
A:CYS187
|
5.0
|
16.6
|
1.0
|
|
Iron binding site 4 out
of 36 in 4upe
Go back to
Iron Binding Sites List in 4upe
Iron binding site 4 out
of 36 in the Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/up/4upe-FE-sphere_04.jpg) Mono view
![](/pictures/FE/pdb/up/4upe-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 the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1265
b:15.7
occ:1.00
|
FE4
|
A:SF41265
|
0.0
|
15.7
|
1.0
|
ND1
|
A:HIS184
|
2.1
|
16.0
|
1.0
|
S2
|
A:SF41265
|
2.3
|
13.7
|
1.0
|
S4
|
A:SF41265
|
2.3
|
17.1
|
1.0
|
S1
|
A:SF41265
|
2.3
|
13.2
|
1.0
|
FE3
|
A:SF41265
|
2.7
|
14.5
|
1.0
|
FE2
|
A:SF41265
|
2.7
|
14.4
|
1.0
|
FE1
|
A:SF41265
|
2.7
|
14.6
|
1.0
|
CE1
|
A:HIS184
|
3.0
|
17.0
|
1.0
|
CG
|
A:HIS184
|
3.2
|
15.8
|
1.0
|
CB
|
A:HIS184
|
3.7
|
14.2
|
1.0
|
S3
|
A:SF41265
|
3.9
|
15.4
|
1.0
|
CA
|
A:HIS184
|
4.0
|
13.5
|
1.0
|
NE2
|
A:HIS184
|
4.2
|
17.2
|
1.0
|
CD
|
A:PRO221
|
4.3
|
13.1
|
1.0
|
CD2
|
A:HIS184
|
4.3
|
16.9
|
1.0
|
CG
|
A:PRO221
|
4.3
|
13.6
|
1.0
|
CB
|
A:CYS187
|
4.4
|
15.7
|
1.0
|
O
|
A:HIS184
|
4.6
|
15.8
|
1.0
|
SG
|
A:CYS187
|
4.6
|
14.8
|
1.0
|
SG
|
A:CYS212
|
4.6
|
15.8
|
1.0
|
CD2
|
A:PHE193
|
4.7
|
16.8
|
1.0
|
SG
|
A:CYS218
|
4.7
|
11.8
|
1.0
|
N
|
A:PRO221
|
4.7
|
12.8
|
1.0
|
C
|
A:HIS184
|
4.8
|
15.6
|
1.0
|
CG
|
A:PHE193
|
5.0
|
17.5
|
1.0
|
CA
|
A:GLY220
|
5.0
|
13.2
|
1.0
|
CB
|
A:PHE193
|
5.0
|
16.8
|
1.0
|
|
Iron binding site 5 out
of 36 in 4upe
Go back to
Iron Binding Sites List in 4upe
Iron binding site 5 out
of 36 in the Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/up/4upe-FE-sphere_05.jpg) Mono view
![](/pictures/FE/pdb/up/4upe-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 the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1266
b:13.2
occ:1.00
|
FE1
|
A:F3S1266
|
0.0
|
13.2
|
1.0
|
S1
|
A:F3S1266
|
2.2
|
13.2
|
1.0
|
S2
|
A:F3S1266
|
2.2
|
13.0
|
1.0
|
SG
|
A:CYS248
|
2.3
|
11.8
|
1.0
|
S3
|
A:F3S1266
|
2.3
|
11.9
|
1.0
|
FE3
|
A:F3S1266
|
2.7
|
13.9
|
1.0
|
FE4
|
A:F3S1266
|
2.7
|
12.7
|
1.0
|
CB
|
A:CYS248
|
3.4
|
11.7
|
1.0
|
O
|
Q:HOH2037
|
3.7
|
11.1
|
1.0
|
N
|
A:CYS248
|
3.8
|
13.3
|
1.0
|
S4
|
A:F3S1266
|
3.9
|
15.9
|
1.0
|
CA
|
A:CYS248
|
4.1
|
11.9
|
1.0
|
O
|
A:HOH2017
|
4.2
|
10.7
|
1.0
|
ND2
|
A:ASN225
|
4.6
|
12.3
|
1.0
|
C
|
A:CYS248
|
4.6
|
12.9
|
1.0
|
N
|
A:SER249
|
4.6
|
11.5
|
1.0
|
SG
|
A:CYS227
|
4.7
|
15.0
|
1.0
|
SG
|
A:CYS245
|
4.8
|
11.9
|
1.0
|
O
|
A:HOH2008
|
4.8
|
11.4
|
1.0
|
CE
|
Q:LYS225
|
4.9
|
10.0
|
1.0
|
C
|
A:GLY247
|
5.0
|
12.1
|
1.0
|
|
Iron binding site 6 out
of 36 in 4upe
Go back to
Iron Binding Sites List in 4upe
Iron binding site 6 out
of 36 in the Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/up/4upe-FE-sphere_06.jpg) Mono view
![](/pictures/FE/pdb/up/4upe-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 the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1266
b:13.9
occ:1.00
|
FE3
|
A:F3S1266
|
0.0
|
13.9
|
1.0
|
S4
|
A:F3S1266
|
2.2
|
15.9
|
1.0
|
S3
|
A:F3S1266
|
2.2
|
11.9
|
1.0
|
S1
|
A:F3S1266
|
2.3
|
13.2
|
1.0
|
SG
|
A:CYS227
|
2.3
|
15.0
|
1.0
|
FE4
|
A:F3S1266
|
2.7
|
12.7
|
1.0
|
FE1
|
A:F3S1266
|
2.7
|
13.2
|
1.0
|
CB
|
A:CYS227
|
3.4
|
13.3
|
1.0
|
S2
|
A:F3S1266
|
3.9
|
13.0
|
1.0
|
ND2
|
A:ASN225
|
4.0
|
12.3
|
1.0
|
CE2
|
A:PHE232
|
4.3
|
12.4
|
1.0
|
O
|
A:HOH2017
|
4.4
|
10.7
|
1.0
|
CZ
|
A:PHE232
|
4.5
|
11.8
|
1.0
|
CG
|
A:ASN225
|
4.6
|
12.1
|
1.0
|
CB
|
A:ASN225
|
4.7
|
11.4
|
1.0
|
SG
|
A:CYS248
|
4.7
|
11.8
|
1.0
|
CG2
|
A:VAL183
|
4.7
|
10.9
|
1.0
|
SG
|
A:CYS245
|
4.7
|
11.9
|
1.0
|
CA
|
A:CYS227
|
4.8
|
13.8
|
1.0
|
CD
|
A:PRO238
|
5.0
|
12.1
|
1.0
|
|
Iron binding site 7 out
of 36 in 4upe
Go back to
Iron Binding Sites List in 4upe
Iron binding site 7 out
of 36 in the Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/up/4upe-FE-sphere_07.jpg) Mono view
![](/pictures/FE/pdb/up/4upe-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 the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1266
b:12.7
occ:1.00
|
FE4
|
A:F3S1266
|
0.0
|
12.7
|
1.0
|
S4
|
A:F3S1266
|
2.3
|
15.9
|
1.0
|
S3
|
A:F3S1266
|
2.3
|
11.9
|
1.0
|
S2
|
A:F3S1266
|
2.3
|
13.0
|
1.0
|
SG
|
A:CYS245
|
2.3
|
11.9
|
1.0
|
FE3
|
A:F3S1266
|
2.7
|
13.9
|
1.0
|
FE1
|
A:F3S1266
|
2.7
|
13.2
|
1.0
|
CB
|
A:CYS245
|
3.3
|
10.9
|
1.0
|
CA
|
A:CYS245
|
3.7
|
10.9
|
1.0
|
S1
|
A:F3S1266
|
3.9
|
13.2
|
1.0
|
N
|
A:LEU246
|
3.9
|
14.1
|
1.0
|
N
|
A:GLY247
|
4.2
|
12.4
|
1.0
|
C
|
A:CYS245
|
4.3
|
11.3
|
1.0
|
N
|
A:CYS248
|
4.5
|
13.3
|
1.0
|
CG2
|
A:THR223
|
4.7
|
11.5
|
1.0
|
NE2
|
Q:GLN230
|
4.8
|
13.5
|
1.0
|
CG2
|
A:VAL183
|
4.8
|
10.9
|
1.0
|
SG
|
A:CYS227
|
4.8
|
15.0
|
1.0
|
CA
|
A:GLY247
|
4.8
|
12.1
|
1.0
|
SG
|
A:CYS248
|
4.8
|
11.8
|
1.0
|
|
Iron binding site 8 out
of 36 in 4upe
Go back to
Iron Binding Sites List in 4upe
Iron binding site 8 out
of 36 in the Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/up/4upe-FE-sphere_08.jpg) Mono view
![](/pictures/FE/pdb/up/4upe-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 the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1267
b:12.0
occ:1.00
|
FE1
|
A:SF41267
|
0.0
|
12.0
|
1.0
|
S3
|
A:SF41267
|
2.2
|
12.3
|
1.0
|
S4
|
A:SF41267
|
2.3
|
11.1
|
1.0
|
S2
|
A:SF41267
|
2.3
|
10.8
|
1.0
|
SG
|
A:CYS147
|
2.3
|
12.1
|
1.0
|
FE3
|
A:SF41267
|
2.7
|
12.8
|
1.0
|
FE4
|
A:SF41267
|
2.7
|
12.8
|
1.0
|
FE2
|
A:SF41267
|
2.8
|
13.7
|
1.0
|
CB
|
A:CYS147
|
3.4
|
9.4
|
1.0
|
CA
|
A:CYS147
|
3.4
|
10.2
|
1.0
|
O
|
A:HOH2011
|
3.9
|
9.7
|
1.0
|
S1
|
A:SF41267
|
3.9
|
12.1
|
1.0
|
C
|
A:CYS147
|
3.9
|
10.6
|
1.0
|
CG
|
Q:ARG70
|
4.3
|
10.8
|
1.0
|
O
|
A:CYS147
|
4.3
|
9.8
|
1.0
|
N
|
A:PRO148
|
4.4
|
11.5
|
1.0
|
SG
|
A:CYS114
|
4.5
|
13.4
|
1.0
|
CD2
|
Q:HIS228
|
4.6
|
10.7
|
1.0
|
O
|
A:GLY146
|
4.6
|
11.2
|
1.0
|
SG
|
A:CYS17
|
4.6
|
11.8
|
1.0
|
NE2
|
Q:HIS228
|
4.7
|
10.3
|
1.0
|
CA
|
A:PRO148
|
4.7
|
10.3
|
1.0
|
N
|
A:CYS147
|
4.7
|
9.6
|
1.0
|
NE
|
Q:ARG70
|
4.7
|
11.2
|
1.0
|
SG
|
A:CYS20
|
4.8
|
13.7
|
1.0
|
|
Iron binding site 9 out
of 36 in 4upe
Go back to
Iron Binding Sites List in 4upe
Iron binding site 9 out
of 36 in the Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/up/4upe-FE-sphere_09.jpg) Mono view
![](/pictures/FE/pdb/up/4upe-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 the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1267
b:13.7
occ:1.00
|
FE2
|
A:SF41267
|
0.0
|
13.7
|
1.0
|
S1
|
A:SF41267
|
2.3
|
12.1
|
1.0
|
S4
|
A:SF41267
|
2.3
|
11.1
|
1.0
|
S3
|
A:SF41267
|
2.3
|
12.3
|
1.0
|
SG
|
A:CYS20
|
2.3
|
13.7
|
1.0
|
FE4
|
A:SF41267
|
2.8
|
12.8
|
1.0
|
FE3
|
A:SF41267
|
2.8
|
12.8
|
1.0
|
FE1
|
A:SF41267
|
2.8
|
12.0
|
1.0
|
CB
|
A:CYS20
|
3.5
|
11.0
|
1.0
|
N
|
A:CYS20
|
3.7
|
9.8
|
1.0
|
S2
|
A:SF41267
|
3.9
|
10.8
|
1.0
|
O
|
A:HOH2007
|
4.0
|
9.3
|
1.0
|
CA
|
A:CYS20
|
4.1
|
11.0
|
1.0
|
CA
|
A:GLY112
|
4.4
|
11.8
|
1.0
|
CA
|
A:PRO148
|
4.4
|
10.3
|
1.0
|
CB
|
A:PRO148
|
4.4
|
9.8
|
1.0
|
C
|
A:GLY19
|
4.5
|
10.8
|
1.0
|
SG
|
A:CYS17
|
4.7
|
11.8
|
1.0
|
O
|
A:GLY146
|
4.8
|
11.2
|
1.0
|
CA
|
A:GLY19
|
4.8
|
10.0
|
1.0
|
CA
|
A:CYS147
|
4.8
|
10.2
|
1.0
|
N
|
A:GLY19
|
4.9
|
11.4
|
1.0
|
N
|
A:PRO148
|
4.9
|
11.5
|
1.0
|
SG
|
A:CYS114
|
5.0
|
13.4
|
1.0
|
|
Iron binding site 10 out
of 36 in 4upe
Go back to
Iron Binding Sites List in 4upe
Iron binding site 10 out
of 36 in the Structure of the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase
![](/pictures/FE/pdb/up/4upe-FE-sphere_10.jpg) Mono view
![](/pictures/FE/pdb/up/4upe-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 the Unready Ni-A State of the S499C Mutant of D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1267
b:12.8
occ:1.00
|
FE3
|
A:SF41267
|
0.0
|
12.8
|
1.0
|
S2
|
A:SF41267
|
2.3
|
10.8
|
1.0
|
S4
|
A:SF41267
|
2.3
|
11.1
|
1.0
|
S1
|
A:SF41267
|
2.3
|
12.1
|
1.0
|
SG
|
A:CYS114
|
2.3
|
13.4
|
1.0
|
FE1
|
A:SF41267
|
2.7
|
12.0
|
1.0
|
FE4
|
A:SF41267
|
2.7
|
12.8
|
1.0
|
FE2
|
A:SF41267
|
2.8
|
13.7
|
1.0
|
CB
|
A:CYS114
|
3.3
|
10.1
|
1.0
|
S3
|
A:SF41267
|
3.8
|
12.3
|
1.0
|
O
|
A:HOH2007
|
4.0
|
9.3
|
1.0
|
N
|
A:CYS114
|
4.0
|
9.5
|
1.0
|
O
|
A:HOH2011
|
4.0
|
9.7
|
1.0
|
CA
|
A:CYS114
|
4.2
|
10.5
|
1.0
|
O
|
A:HOH2005
|
4.3
|
13.3
|
1.0
|
SG
|
A:CYS147
|
4.5
|
12.1
|
1.0
|
N
|
A:CYS17
|
4.8
|
12.3
|
1.0
|
SG
|
A:CYS20
|
4.8
|
13.7
|
1.0
|
SG
|
A:CYS17
|
4.8
|
11.8
|
1.0
|
CA
|
A:GLU16
|
5.0
|
11.7
|
1.0
|
|
Reference:
A.Volbeda,
L.Martin,
E.Barbier,
O.Gutierrez-Sanz,
A.L.De Lacey,
P.Liebgott,
S.Dementin,
M.Rousset,
J.C.Fontecilla-Camps.
Crystallographic Studies of [Nife]-Hydrogenase Mutants: Towards Consensus Structures For the Elusive Unready Oxidized States. J.Biol.Inorg.Chem. 2014.
ISSN: ESSN 1432-1327
PubMed: 25315838
DOI: 10.1007/S00775-014-1203-9
Page generated: Mon Aug 5 13:31:30 2024
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