Nickel in PDB 4uql: High-Resolution Structure of A Ni-A Ni-Sox Mixture of the D. Fructosovorans Nife-Hydrogenase L122A Mutant
Enzymatic activity of High-Resolution Structure of A Ni-A Ni-Sox Mixture of the D. Fructosovorans Nife-Hydrogenase L122A Mutant
All present enzymatic activity of High-Resolution Structure of A Ni-A Ni-Sox Mixture of the D. Fructosovorans Nife-Hydrogenase L122A Mutant:
1.12.2.1;
Protein crystallography data
The structure of High-Resolution Structure of A Ni-A Ni-Sox Mixture of the D. Fructosovorans Nife-Hydrogenase L122A Mutant, PDB code: 4uql
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)
|
30.00 /
1.22
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
64.690,
100.850,
116.700,
90.00,
105.96,
90.00
|
R / Rfree (%)
|
12.043 /
15.2
|
Other elements in 4uql:
The structure of High-Resolution Structure of A Ni-A Ni-Sox Mixture of the D. Fructosovorans Nife-Hydrogenase L122A Mutant also contains other interesting chemical elements:
Nickel Binding Sites:
The binding sites of Nickel atom in the High-Resolution Structure of A Ni-A Ni-Sox Mixture of the D. Fructosovorans Nife-Hydrogenase L122A Mutant
(pdb code 4uql). This binding sites where shown within
5.0 Angstroms radius around Nickel atom.
In total 4 binding sites of Nickel where determined in the
High-Resolution Structure of A Ni-A Ni-Sox Mixture of the D. Fructosovorans Nife-Hydrogenase L122A Mutant, PDB code: 4uql:
Jump to Nickel binding site number:
1;
2;
3;
4;
Nickel binding site 1 out
of 4 in 4uql
Go back to
Nickel Binding Sites List in 4uql
Nickel binding site 1 out
of 4 in the High-Resolution Structure of A Ni-A Ni-Sox Mixture of the D. Fructosovorans Nife-Hydrogenase L122A Mutant
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 1 of High-Resolution Structure of A Ni-A Ni-Sox Mixture of the D. Fructosovorans Nife-Hydrogenase L122A Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Q:Ni1551
b:8.5
occ:0.64
|
NI
|
Q:NI1551
|
0.0
|
8.5
|
0.6
|
NI
|
Q:NI1551
|
0.5
|
8.0
|
0.4
|
OD
|
Q:CSX75
|
1.8
|
4.8
|
0.2
|
SD
|
Q:CSS543
|
1.9
|
9.0
|
0.4
|
O
|
Q:HOH2001
|
2.0
|
5.4
|
0.6
|
SG
|
Q:CYS72
|
2.1
|
7.8
|
1.0
|
SG
|
Q:CSS543
|
2.2
|
8.4
|
0.6
|
SG
|
Q:CSX75
|
2.6
|
6.3
|
1.0
|
SG
|
Q:CYS546
|
2.6
|
5.8
|
1.0
|
FE
|
Q:FCO1550
|
2.9
|
6.0
|
1.0
|
SG
|
Q:CSS543
|
2.9
|
8.9
|
0.4
|
CB
|
Q:CYS72
|
3.0
|
6.7
|
1.0
|
CB
|
Q:CSS543
|
3.1
|
5.5
|
0.4
|
CB
|
Q:CSS543
|
3.2
|
6.9
|
0.6
|
CB
|
Q:CSX75
|
3.5
|
5.3
|
1.0
|
N
|
Q:CSX75
|
3.6
|
4.9
|
1.0
|
CB
|
Q:CYS546
|
3.6
|
5.1
|
1.0
|
C1
|
Q:FCO1550
|
3.9
|
5.6
|
1.0
|
CA
|
Q:CSX75
|
4.1
|
5.1
|
1.0
|
C2
|
Q:FCO1550
|
4.2
|
5.1
|
1.0
|
CB
|
Q:VAL74
|
4.4
|
5.1
|
1.0
|
CA
|
Q:CYS72
|
4.4
|
5.3
|
1.0
|
C3
|
Q:FCO1550
|
4.5
|
7.5
|
1.0
|
CA
|
Q:CSS543
|
4.6
|
5.5
|
1.0
|
N
|
Q:CYS546
|
4.6
|
5.1
|
1.0
|
CA
|
Q:CYS546
|
4.6
|
5.5
|
1.0
|
C
|
Q:VAL74
|
4.7
|
4.8
|
1.0
|
N1
|
Q:FCO1550
|
4.8
|
6.0
|
1.0
|
N
|
Q:VAL74
|
4.8
|
4.1
|
1.0
|
C
|
Q:CSX75
|
4.8
|
4.7
|
1.0
|
CG
|
Q:GLU25
|
4.8
|
6.2
|
1.0
|
NH1
|
Q:ARG476
|
4.9
|
11.4
|
1.0
|
CD
|
Q:ARG476
|
4.9
|
7.4
|
1.0
|
CA
|
Q:VAL74
|
4.9
|
4.6
|
1.0
|
C
|
Q:CYS72
|
4.9
|
4.5
|
1.0
|
NE
|
Q:ARG476
|
4.9
|
8.3
|
1.0
|
CZ
|
Q:ARG476
|
5.0
|
7.6
|
1.0
|
O
|
Q:CSX75
|
5.0
|
5.5
|
1.0
|
|
Nickel binding site 2 out
of 4 in 4uql
Go back to
Nickel Binding Sites List in 4uql
Nickel binding site 2 out
of 4 in the High-Resolution Structure of A Ni-A Ni-Sox Mixture of the D. Fructosovorans Nife-Hydrogenase L122A Mutant
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 2 of High-Resolution Structure of A Ni-A Ni-Sox Mixture of the D. Fructosovorans Nife-Hydrogenase L122A Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Q:Ni1551
b:8.0
occ:0.36
|
NI
|
Q:NI1551
|
0.0
|
8.0
|
0.4
|
NI
|
Q:NI1551
|
0.5
|
8.5
|
0.6
|
OD
|
Q:CSX75
|
1.5
|
4.8
|
0.2
|
O
|
Q:HOH2001
|
2.0
|
5.4
|
0.6
|
SD
|
Q:CSS543
|
2.1
|
9.0
|
0.4
|
SG
|
Q:CSX75
|
2.2
|
6.3
|
1.0
|
SG
|
Q:CYS72
|
2.3
|
7.8
|
1.0
|
SG
|
Q:CYS546
|
2.3
|
5.8
|
1.0
|
SG
|
Q:CSS543
|
2.6
|
8.4
|
0.6
|
FE
|
Q:FCO1550
|
2.6
|
6.0
|
1.0
|
CB
|
Q:CYS72
|
2.9
|
6.7
|
1.0
|
SG
|
Q:CSS543
|
3.3
|
8.9
|
0.4
|
CB
|
Q:CSX75
|
3.3
|
5.3
|
1.0
|
CB
|
Q:CSS543
|
3.4
|
5.5
|
0.4
|
CB
|
Q:CYS546
|
3.5
|
5.1
|
1.0
|
CB
|
Q:CSS543
|
3.5
|
6.9
|
0.6
|
N
|
Q:CSX75
|
3.6
|
4.9
|
1.0
|
C1
|
Q:FCO1550
|
3.8
|
5.6
|
1.0
|
C2
|
Q:FCO1550
|
4.0
|
5.1
|
1.0
|
CA
|
Q:CSX75
|
4.0
|
5.1
|
1.0
|
C3
|
Q:FCO1550
|
4.1
|
7.5
|
1.0
|
CA
|
Q:CYS72
|
4.3
|
5.3
|
1.0
|
CA
|
Q:CYS546
|
4.5
|
5.5
|
1.0
|
N
|
Q:CYS546
|
4.6
|
5.1
|
1.0
|
C
|
Q:CSX75
|
4.6
|
4.7
|
1.0
|
N1
|
Q:FCO1550
|
4.7
|
6.0
|
1.0
|
O
|
Q:CSX75
|
4.7
|
5.5
|
1.0
|
CB
|
Q:VAL74
|
4.7
|
5.1
|
1.0
|
C
|
Q:VAL74
|
4.8
|
4.8
|
1.0
|
C
|
Q:CYS72
|
4.8
|
4.5
|
1.0
|
CA
|
Q:CSS543
|
4.9
|
5.5
|
1.0
|
NE2
|
Q:HIS79
|
4.9
|
5.6
|
1.0
|
N
|
Q:VAL74
|
5.0
|
4.1
|
1.0
|
NH1
|
Q:ARG476
|
5.0
|
11.4
|
1.0
|
N2
|
Q:FCO1550
|
5.0
|
5.9
|
1.0
|
|
Nickel binding site 3 out
of 4 in 4uql
Go back to
Nickel Binding Sites List in 4uql
Nickel binding site 3 out
of 4 in the High-Resolution Structure of A Ni-A Ni-Sox Mixture of the D. Fructosovorans Nife-Hydrogenase L122A Mutant
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 3 of High-Resolution Structure of A Ni-A Ni-Sox Mixture of the D. Fructosovorans Nife-Hydrogenase L122A Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Ni1551
b:7.4
occ:0.64
|
NI
|
R:NI1551
|
0.0
|
7.4
|
0.6
|
NI
|
R:NI1551
|
0.5
|
8.3
|
0.4
|
OD
|
R:CSX75
|
1.8
|
5.9
|
0.2
|
SD
|
R:CSS543
|
1.9
|
8.0
|
0.4
|
O
|
R:HOH2001
|
2.0
|
6.6
|
0.6
|
SG
|
R:CYS72
|
2.1
|
6.4
|
1.0
|
SG
|
R:CSS543
|
2.2
|
7.6
|
0.6
|
SG
|
R:CSX75
|
2.6
|
5.5
|
1.0
|
SG
|
R:CYS546
|
2.6
|
5.7
|
1.0
|
SG
|
R:CSS543
|
2.9
|
8.2
|
0.4
|
FE
|
R:FCO1550
|
2.9
|
5.4
|
1.0
|
CB
|
R:CYS72
|
3.0
|
4.9
|
1.0
|
CB
|
R:CSS543
|
3.1
|
5.3
|
0.4
|
CB
|
R:CSS543
|
3.2
|
5.8
|
0.6
|
CB
|
R:CSX75
|
3.5
|
5.3
|
1.0
|
CB
|
R:CYS546
|
3.5
|
4.2
|
1.0
|
N
|
R:CSX75
|
3.6
|
3.5
|
1.0
|
C1
|
R:FCO1550
|
3.9
|
5.1
|
1.0
|
CA
|
R:CSX75
|
4.1
|
4.2
|
1.0
|
C2
|
R:FCO1550
|
4.2
|
5.0
|
1.0
|
CB
|
R:VAL74
|
4.4
|
4.8
|
1.0
|
CA
|
R:CYS72
|
4.4
|
4.1
|
1.0
|
C3
|
R:FCO1550
|
4.5
|
5.5
|
1.0
|
CA
|
R:CSS543
|
4.6
|
4.5
|
1.0
|
N
|
R:CYS546
|
4.6
|
3.9
|
1.0
|
CA
|
R:CYS546
|
4.6
|
4.3
|
1.0
|
C
|
R:VAL74
|
4.7
|
3.7
|
1.0
|
N1
|
R:FCO1550
|
4.7
|
5.6
|
1.0
|
NH1
|
R:ARG476
|
4.8
|
10.4
|
1.0
|
N
|
R:VAL74
|
4.8
|
4.0
|
1.0
|
C
|
R:CSX75
|
4.8
|
4.3
|
1.0
|
CD
|
R:ARG476
|
4.9
|
6.5
|
1.0
|
CG
|
R:GLU25
|
4.9
|
5.6
|
1.0
|
NE
|
R:ARG476
|
4.9
|
7.8
|
1.0
|
CA
|
R:VAL74
|
4.9
|
4.3
|
1.0
|
CZ
|
R:ARG476
|
4.9
|
7.4
|
1.0
|
C
|
R:CYS72
|
4.9
|
4.3
|
1.0
|
O
|
R:CSX75
|
5.0
|
5.2
|
1.0
|
|
Nickel binding site 4 out
of 4 in 4uql
Go back to
Nickel Binding Sites List in 4uql
Nickel binding site 4 out
of 4 in the High-Resolution Structure of A Ni-A Ni-Sox Mixture of the D. Fructosovorans Nife-Hydrogenase L122A Mutant
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 4 of High-Resolution Structure of A Ni-A Ni-Sox Mixture of the D. Fructosovorans Nife-Hydrogenase L122A Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Ni1551
b:8.3
occ:0.36
|
NI
|
R:NI1551
|
0.0
|
8.3
|
0.4
|
NI
|
R:NI1551
|
0.5
|
7.4
|
0.6
|
OD
|
R:CSX75
|
1.5
|
5.9
|
0.2
|
O
|
R:HOH2001
|
2.1
|
6.6
|
0.6
|
SD
|
R:CSS543
|
2.1
|
8.0
|
0.4
|
SG
|
R:CSX75
|
2.2
|
5.5
|
1.0
|
SG
|
R:CYS72
|
2.3
|
6.4
|
1.0
|
SG
|
R:CYS546
|
2.3
|
5.7
|
1.0
|
SG
|
R:CSS543
|
2.6
|
7.6
|
0.6
|
FE
|
R:FCO1550
|
2.6
|
5.4
|
1.0
|
CB
|
R:CYS72
|
2.8
|
4.9
|
1.0
|
CB
|
R:CSX75
|
3.3
|
5.3
|
1.0
|
SG
|
R:CSS543
|
3.3
|
8.2
|
0.4
|
CB
|
R:CYS546
|
3.4
|
4.2
|
1.0
|
CB
|
R:CSS543
|
3.4
|
5.3
|
0.4
|
CB
|
R:CSS543
|
3.5
|
5.8
|
0.6
|
N
|
R:CSX75
|
3.7
|
3.5
|
1.0
|
C1
|
R:FCO1550
|
3.8
|
5.1
|
1.0
|
C2
|
R:FCO1550
|
4.0
|
5.0
|
1.0
|
CA
|
R:CSX75
|
4.0
|
4.2
|
1.0
|
C3
|
R:FCO1550
|
4.1
|
5.5
|
1.0
|
CA
|
R:CYS72
|
4.3
|
4.1
|
1.0
|
CA
|
R:CYS546
|
4.4
|
4.3
|
1.0
|
N
|
R:CYS546
|
4.5
|
3.9
|
1.0
|
C
|
R:CSX75
|
4.6
|
4.3
|
1.0
|
O
|
R:CSX75
|
4.7
|
5.2
|
1.0
|
N1
|
R:FCO1550
|
4.7
|
5.6
|
1.0
|
CB
|
R:VAL74
|
4.8
|
4.8
|
1.0
|
C
|
R:VAL74
|
4.8
|
3.7
|
1.0
|
C
|
R:CYS72
|
4.8
|
4.3
|
1.0
|
CA
|
R:CSS543
|
4.9
|
4.5
|
1.0
|
NE2
|
R:HIS79
|
4.9
|
4.4
|
1.0
|
NH1
|
R:ARG476
|
4.9
|
10.4
|
1.0
|
N
|
R:VAL74
|
5.0
|
4.0
|
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: Wed Oct 9 19:14:46 2024
|