Nickel in PDB 1jqk: Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum
Enzymatic activity of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum
All present enzymatic activity of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum:
1.2.99.2;
Protein crystallography data
The structure of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum, PDB code: 1jqk
was solved by
C.L.Drennan,
J.Heo,
M.D.Sintchak,
E.Schreiter,
P.W.Ludden,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
100.00 /
2.80
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
92.600,
200.100,
116.800,
90.00,
111.50,
90.00
|
R / Rfree (%)
|
25.7 /
28.7
|
Other elements in 1jqk:
The structure of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum also contains other interesting chemical elements:
Nickel Binding Sites:
The binding sites of Nickel atom in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum
(pdb code 1jqk). This binding sites where shown within
5.0 Angstroms radius around Nickel atom.
In total 6 binding sites of Nickel where determined in the
Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum, PDB code: 1jqk:
Jump to Nickel binding site number:
1;
2;
3;
4;
5;
6;
Nickel binding site 1 out
of 6 in 1jqk
Go back to
Nickel Binding Sites List in 1jqk
Nickel binding site 1 out
of 6 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 1 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ni800
b:68.9
occ:1.00
|
NI
|
A:WCC800
|
0.0
|
68.9
|
1.0
|
UNK
|
A:UNX802
|
1.8
|
68.2
|
1.0
|
SG
|
A:CYS531
|
2.2
|
71.1
|
1.0
|
S1
|
A:WCC800
|
2.2
|
68.7
|
1.0
|
S4
|
A:WCC800
|
2.3
|
66.0
|
1.0
|
S3
|
A:WCC800
|
2.6
|
65.9
|
1.0
|
FE
|
A:FE2801
|
2.6
|
71.8
|
1.0
|
FE3
|
A:WCC800
|
2.7
|
68.2
|
1.0
|
FE4
|
A:WCC800
|
2.8
|
68.5
|
1.0
|
FE1
|
A:WCC800
|
2.9
|
67.4
|
1.0
|
S2
|
A:WCC800
|
3.9
|
67.3
|
1.0
|
CB
|
A:CYS531
|
4.0
|
69.4
|
1.0
|
NE2
|
A:HIS265
|
4.1
|
69.4
|
1.0
|
SG
|
A:CYS300
|
4.1
|
71.3
|
1.0
|
SG
|
A:CYS451
|
4.5
|
71.9
|
1.0
|
SG
|
A:CYS338
|
4.8
|
56.4
|
1.0
|
CE1
|
A:HIS265
|
4.8
|
70.8
|
1.0
|
OG
|
A:SER566
|
4.8
|
51.8
|
1.0
|
CE
|
A:LYS568
|
4.9
|
37.9
|
1.0
|
SG
|
A:CYS481
|
4.9
|
68.1
|
1.0
|
O
|
A:GLY450
|
4.9
|
66.7
|
1.0
|
NZ
|
A:LYS568
|
5.0
|
40.4
|
1.0
|
|
Nickel binding site 2 out
of 6 in 1jqk
Go back to
Nickel Binding Sites List in 1jqk
Nickel binding site 2 out
of 6 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 2 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ni800
b:70.7
occ:1.00
|
NI
|
B:WCC800
|
0.0
|
70.7
|
1.0
|
UNK
|
B:UNX802
|
1.9
|
69.0
|
1.0
|
SG
|
B:CYS531
|
2.2
|
73.3
|
1.0
|
S4
|
B:WCC800
|
2.3
|
66.9
|
1.0
|
S1
|
B:WCC800
|
2.3
|
65.8
|
1.0
|
S3
|
B:WCC800
|
2.5
|
71.6
|
1.0
|
FE
|
B:FE2801
|
2.5
|
75.3
|
1.0
|
FE3
|
B:WCC800
|
2.7
|
67.1
|
1.0
|
FE1
|
B:WCC800
|
2.8
|
66.9
|
1.0
|
FE4
|
B:WCC800
|
2.9
|
69.5
|
1.0
|
S2
|
B:WCC800
|
4.0
|
69.4
|
1.0
|
CB
|
B:CYS531
|
4.0
|
71.5
|
1.0
|
NE2
|
B:HIS265
|
4.0
|
72.8
|
1.0
|
SG
|
B:CYS300
|
4.1
|
74.1
|
1.0
|
SG
|
B:CYS451
|
4.6
|
66.7
|
1.0
|
SG
|
B:CYS338
|
4.7
|
63.2
|
1.0
|
CE1
|
B:HIS265
|
4.8
|
74.2
|
1.0
|
CE
|
B:LYS568
|
4.8
|
50.9
|
1.0
|
OG
|
B:SER566
|
4.9
|
53.7
|
1.0
|
NZ
|
B:LYS568
|
4.9
|
49.4
|
1.0
|
SG
|
B:CYS481
|
5.0
|
67.2
|
1.0
|
O
|
B:GLY450
|
5.0
|
61.5
|
1.0
|
|
Nickel binding site 3 out
of 6 in 1jqk
Go back to
Nickel Binding Sites List in 1jqk
Nickel binding site 3 out
of 6 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 3 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ni800
b:41.7
occ:1.00
|
NI
|
C:WCC800
|
0.0
|
41.7
|
1.0
|
UNK
|
C:UNX802
|
1.8
|
38.6
|
1.0
|
S4
|
C:WCC800
|
2.2
|
38.3
|
1.0
|
SG
|
C:CYS531
|
2.2
|
43.1
|
1.0
|
S1
|
C:WCC800
|
2.2
|
37.3
|
1.0
|
FE3
|
C:WCC800
|
2.6
|
40.5
|
1.0
|
S3
|
C:WCC800
|
2.6
|
41.3
|
1.0
|
FE
|
C:FE2801
|
2.6
|
44.8
|
1.0
|
FE1
|
C:WCC800
|
2.9
|
35.5
|
1.0
|
FE4
|
C:WCC800
|
2.9
|
37.9
|
1.0
|
S2
|
C:WCC800
|
3.9
|
40.4
|
1.0
|
CB
|
C:CYS531
|
4.0
|
39.6
|
1.0
|
NE2
|
C:HIS265
|
4.0
|
42.2
|
1.0
|
SG
|
C:CYS300
|
4.2
|
41.1
|
1.0
|
SG
|
C:CYS451
|
4.6
|
38.6
|
1.0
|
SG
|
C:CYS338
|
4.8
|
29.9
|
1.0
|
OG
|
C:SER566
|
4.8
|
34.4
|
1.0
|
CE1
|
C:HIS265
|
4.8
|
40.7
|
1.0
|
CE
|
C:LYS568
|
4.9
|
26.9
|
1.0
|
SG
|
C:CYS481
|
4.9
|
41.8
|
1.0
|
O
|
C:GLY450
|
4.9
|
39.1
|
1.0
|
NZ
|
C:LYS568
|
5.0
|
26.2
|
1.0
|
|
Nickel binding site 4 out
of 6 in 1jqk
Go back to
Nickel Binding Sites List in 1jqk
Nickel binding site 4 out
of 6 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 4 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ni800
b:49.3
occ:1.00
|
NI
|
D:WCC800
|
0.0
|
49.3
|
1.0
|
UNK
|
D:UNX802
|
1.8
|
48.2
|
1.0
|
S1
|
D:WCC800
|
2.2
|
45.4
|
1.0
|
SG
|
D:CYS531
|
2.2
|
48.4
|
1.0
|
S4
|
D:WCC800
|
2.3
|
45.9
|
1.0
|
FE3
|
D:WCC800
|
2.6
|
44.5
|
1.0
|
S3
|
D:WCC800
|
2.7
|
43.8
|
1.0
|
FE
|
D:FE2801
|
2.7
|
46.4
|
1.0
|
FE4
|
D:WCC800
|
2.9
|
46.2
|
1.0
|
FE1
|
D:WCC800
|
2.9
|
43.3
|
1.0
|
CB
|
D:CYS531
|
3.9
|
45.6
|
1.0
|
S2
|
D:WCC800
|
4.0
|
44.7
|
1.0
|
NE2
|
D:HIS265
|
4.1
|
43.7
|
1.0
|
SG
|
D:CYS300
|
4.2
|
38.5
|
1.0
|
SG
|
D:CYS451
|
4.6
|
42.2
|
1.0
|
OG
|
D:SER566
|
4.8
|
38.5
|
1.0
|
SG
|
D:CYS338
|
4.8
|
38.0
|
1.0
|
CE
|
D:LYS568
|
4.8
|
32.8
|
1.0
|
CE1
|
D:HIS265
|
4.9
|
41.2
|
1.0
|
SG
|
D:CYS481
|
5.0
|
47.5
|
1.0
|
O
|
D:GLY450
|
5.0
|
34.2
|
1.0
|
|
Nickel binding site 5 out
of 6 in 1jqk
Go back to
Nickel Binding Sites List in 1jqk
Nickel binding site 5 out
of 6 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 5 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ni800
b:49.0
occ:1.00
|
NI
|
E:WCC800
|
0.0
|
49.0
|
1.0
|
UNK
|
E:UNX802
|
1.8
|
46.5
|
1.0
|
S1
|
E:WCC800
|
2.2
|
44.1
|
1.0
|
SG
|
E:CYS531
|
2.2
|
49.4
|
1.0
|
S4
|
E:WCC800
|
2.2
|
45.1
|
1.0
|
FE
|
E:FE2801
|
2.6
|
47.3
|
1.0
|
FE3
|
E:WCC800
|
2.6
|
45.8
|
1.0
|
S3
|
E:WCC800
|
2.6
|
40.6
|
1.0
|
FE4
|
E:WCC800
|
2.8
|
46.2
|
1.0
|
FE1
|
E:WCC800
|
2.9
|
43.6
|
1.0
|
S2
|
E:WCC800
|
3.9
|
44.0
|
1.0
|
CB
|
E:CYS531
|
4.0
|
44.9
|
1.0
|
NE2
|
E:HIS265
|
4.1
|
46.4
|
1.0
|
SG
|
E:CYS300
|
4.2
|
42.4
|
1.0
|
SG
|
E:CYS451
|
4.5
|
41.8
|
1.0
|
SG
|
E:CYS338
|
4.8
|
41.8
|
1.0
|
OG
|
E:SER566
|
4.8
|
35.2
|
1.0
|
CE
|
E:LYS568
|
4.9
|
25.8
|
1.0
|
O
|
E:GLY450
|
4.9
|
32.0
|
1.0
|
CE1
|
E:HIS265
|
4.9
|
48.2
|
1.0
|
SG
|
E:CYS481
|
5.0
|
44.1
|
1.0
|
|
Nickel binding site 6 out
of 6 in 1jqk
Go back to
Nickel Binding Sites List in 1jqk
Nickel binding site 6 out
of 6 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 6 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ni800
b:48.3
occ:1.00
|
NI
|
F:WCC800
|
0.0
|
48.3
|
1.0
|
UNK
|
F:UNX802
|
1.9
|
43.0
|
1.0
|
SG
|
F:CYS531
|
2.2
|
48.7
|
1.0
|
S1
|
F:WCC800
|
2.3
|
44.1
|
1.0
|
S4
|
F:WCC800
|
2.3
|
41.2
|
1.0
|
FE
|
F:FE2801
|
2.5
|
45.0
|
1.0
|
S3
|
F:WCC800
|
2.5
|
45.9
|
1.0
|
FE3
|
F:WCC800
|
2.7
|
45.4
|
1.0
|
FE1
|
F:WCC800
|
2.8
|
43.8
|
1.0
|
FE4
|
F:WCC800
|
2.8
|
43.5
|
1.0
|
S2
|
F:WCC800
|
3.9
|
44.6
|
1.0
|
CB
|
F:CYS531
|
4.0
|
42.4
|
1.0
|
NE2
|
F:HIS265
|
4.0
|
45.5
|
1.0
|
SG
|
F:CYS300
|
4.2
|
39.2
|
1.0
|
SG
|
F:CYS451
|
4.6
|
41.0
|
1.0
|
SG
|
F:CYS338
|
4.8
|
35.5
|
1.0
|
CE1
|
F:HIS265
|
4.8
|
44.6
|
1.0
|
CE
|
F:LYS568
|
4.8
|
17.2
|
1.0
|
OG
|
F:SER566
|
4.9
|
27.9
|
1.0
|
SG
|
F:CYS481
|
4.9
|
46.8
|
1.0
|
NZ
|
F:LYS568
|
4.9
|
20.9
|
1.0
|
O
|
F:GLY450
|
5.0
|
36.0
|
1.0
|
|
Reference:
C.L.Drennan,
J.Heo,
M.D.Sintchak,
E.Schreiter,
P.W.Ludden.
Life on Carbon Monoxide: X-Ray Structure of Rhodospirillum Rubrum Ni-Fe-S Carbon Monoxide Dehydrogenase. Proc.Natl.Acad.Sci.Usa V. 98 11973 2001.
ISSN: ISSN 0027-8424
PubMed: 11593006
DOI: 10.1073/PNAS.211429998
Page generated: Wed Oct 9 15:00:43 2024
|