Nickel in PDB 6s0s: The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate
Enzymatic activity of The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate
All present enzymatic activity of The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate:
1.14.11.37;
Protein crystallography data
The structure of The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate, PDB code: 6s0s
was solved by
B.Mrugala,
P.J.Porebski,
E.Niedzialkowska,
W.Minor,
T.Borowski,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.27 /
2.40
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
50.083,
184.582,
110.333,
90.00,
94.97,
90.00
|
R / Rfree (%)
|
17.3 /
20.4
|
Other elements in 6s0s:
The structure of The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate also contains other interesting chemical elements:
Nickel Binding Sites:
The binding sites of Nickel atom in the The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate
(pdb code 6s0s). This binding sites where shown within
5.0 Angstroms radius around Nickel atom.
In total 6 binding sites of Nickel where determined in the
The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate, PDB code: 6s0s:
Jump to Nickel binding site number:
1;
2;
3;
4;
5;
6;
Nickel binding site 1 out
of 6 in 6s0s
Go back to
Nickel Binding Sites List in 6s0s
Nickel binding site 1 out
of 6 in the The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 1 of The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ni301
b:36.4
occ:1.00
|
NE2
|
A:HIS219
|
2.0
|
41.4
|
1.0
|
O
|
A:HOH401
|
2.0
|
19.2
|
1.0
|
NE2
|
A:HIS132
|
2.0
|
38.7
|
1.0
|
O5
|
A:AKG302
|
2.1
|
46.0
|
1.0
|
O2
|
A:AKG302
|
2.1
|
47.8
|
1.0
|
OD1
|
A:ASP134
|
2.1
|
38.5
|
1.0
|
CE1
|
A:HIS219
|
2.8
|
38.5
|
1.0
|
C2
|
A:AKG302
|
2.8
|
55.7
|
1.0
|
C1
|
A:AKG302
|
2.9
|
63.8
|
1.0
|
CE1
|
A:HIS132
|
3.0
|
36.9
|
1.0
|
CG
|
A:ASP134
|
3.0
|
35.3
|
1.0
|
CD2
|
A:HIS132
|
3.0
|
37.0
|
1.0
|
CD2
|
A:HIS219
|
3.1
|
40.1
|
1.0
|
OD2
|
A:ASP134
|
3.3
|
31.3
|
1.0
|
ND1
|
A:HIS219
|
4.0
|
37.3
|
1.0
|
O1
|
A:AKG302
|
4.0
|
51.8
|
1.0
|
O1
|
A:RIO303
|
4.1
|
35.3
|
1.0
|
CG
|
A:HIS219
|
4.1
|
39.8
|
1.0
|
ND1
|
A:HIS132
|
4.1
|
36.4
|
1.0
|
C1
|
A:RIO303
|
4.1
|
39.3
|
1.0
|
CG
|
A:HIS132
|
4.2
|
37.4
|
1.0
|
C3
|
A:AKG302
|
4.3
|
47.5
|
1.0
|
CB
|
A:ASP134
|
4.4
|
36.8
|
1.0
|
NH2
|
A:ARG213
|
4.7
|
38.1
|
1.0
|
CA
|
A:ASP134
|
4.8
|
34.4
|
1.0
|
OE1
|
A:GLN129
|
4.8
|
35.6
|
1.0
|
C4
|
A:AKG302
|
4.8
|
49.8
|
1.0
|
N
|
A:ASP134
|
4.8
|
34.6
|
1.0
|
C15
|
A:RIO303
|
5.0
|
51.4
|
1.0
|
|
Nickel binding site 2 out
of 6 in 6s0s
Go back to
Nickel Binding Sites List in 6s0s
Nickel binding site 2 out
of 6 in the The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 2 of The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ni301
b:22.4
occ:1.00
|
O5
|
B:AKG302
|
2.0
|
20.9
|
1.0
|
NE2
|
B:HIS219
|
2.0
|
16.4
|
1.0
|
NE2
|
B:HIS132
|
2.0
|
23.3
|
1.0
|
O2
|
B:AKG302
|
2.0
|
21.1
|
1.0
|
O
|
B:HOH402
|
2.1
|
31.0
|
1.0
|
OD1
|
B:ASP134
|
2.1
|
20.0
|
1.0
|
C2
|
B:AKG302
|
2.6
|
29.0
|
1.0
|
C1
|
B:AKG302
|
2.6
|
29.9
|
1.0
|
CE1
|
B:HIS219
|
2.9
|
15.8
|
1.0
|
CG
|
B:ASP134
|
3.0
|
21.5
|
1.0
|
CE1
|
B:HIS132
|
3.0
|
23.7
|
1.0
|
CD2
|
B:HIS132
|
3.1
|
21.7
|
1.0
|
CD2
|
B:HIS219
|
3.1
|
17.0
|
1.0
|
OD2
|
B:ASP134
|
3.2
|
19.8
|
1.0
|
O1
|
B:AKG302
|
3.9
|
24.4
|
1.0
|
ND1
|
B:HIS219
|
4.0
|
15.3
|
1.0
|
C1
|
B:RIO303
|
4.1
|
39.6
|
1.0
|
C3
|
B:AKG302
|
4.1
|
26.6
|
1.0
|
ND1
|
B:HIS132
|
4.1
|
23.4
|
1.0
|
CG
|
B:HIS219
|
4.2
|
16.2
|
1.0
|
CG
|
B:HIS132
|
4.2
|
23.6
|
1.0
|
O
|
B:HOH511
|
4.2
|
54.8
|
1.0
|
O1
|
B:RIO303
|
4.3
|
36.9
|
1.0
|
CB
|
B:ASP134
|
4.4
|
23.0
|
1.0
|
NH2
|
B:ARG213
|
4.6
|
31.7
|
1.0
|
C4
|
B:AKG302
|
4.7
|
24.9
|
1.0
|
OE1
|
B:GLN129
|
4.8
|
22.1
|
1.0
|
CA
|
B:ASP134
|
4.8
|
25.4
|
1.0
|
N
|
B:ASP134
|
4.9
|
23.5
|
1.0
|
O6
|
B:RIO303
|
5.0
|
39.9
|
1.0
|
|
Nickel binding site 3 out
of 6 in 6s0s
Go back to
Nickel Binding Sites List in 6s0s
Nickel binding site 3 out
of 6 in the The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 3 of The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ni301
b:26.8
occ:1.00
|
NE2
|
C:HIS219
|
2.0
|
26.0
|
1.0
|
NE2
|
C:HIS132
|
2.0
|
31.8
|
1.0
|
O2
|
C:AKG302
|
2.1
|
18.4
|
1.0
|
O5
|
C:AKG302
|
2.1
|
31.2
|
1.0
|
O
|
C:HOH405
|
2.1
|
47.0
|
1.0
|
OD1
|
C:ASP134
|
2.1
|
34.5
|
1.0
|
C1
|
C:AKG302
|
2.7
|
34.0
|
1.0
|
C2
|
C:AKG302
|
2.8
|
27.2
|
1.0
|
CE1
|
C:HIS219
|
2.8
|
26.4
|
1.0
|
CE1
|
C:HIS132
|
3.0
|
29.1
|
1.0
|
CG
|
C:ASP134
|
3.0
|
33.2
|
1.0
|
CD2
|
C:HIS132
|
3.0
|
30.5
|
1.0
|
CD2
|
C:HIS219
|
3.1
|
24.9
|
1.0
|
OD2
|
C:ASP134
|
3.2
|
31.4
|
1.0
|
ND1
|
C:HIS219
|
3.9
|
26.0
|
1.0
|
O1
|
C:AKG302
|
4.0
|
27.9
|
1.0
|
C1
|
C:RIO303
|
4.0
|
47.4
|
1.0
|
ND1
|
C:HIS132
|
4.1
|
30.7
|
1.0
|
CG
|
C:HIS219
|
4.1
|
26.5
|
1.0
|
CG
|
C:HIS132
|
4.1
|
30.3
|
1.0
|
C3
|
C:AKG302
|
4.2
|
28.9
|
1.0
|
O1
|
C:RIO303
|
4.4
|
46.9
|
1.0
|
CB
|
C:ASP134
|
4.4
|
34.4
|
1.0
|
O
|
C:HOH461
|
4.4
|
56.0
|
1.0
|
NH2
|
C:ARG213
|
4.7
|
39.6
|
1.0
|
C4
|
C:AKG302
|
4.7
|
28.9
|
1.0
|
CA
|
C:ASP134
|
4.8
|
35.0
|
1.0
|
O6
|
C:RIO303
|
4.8
|
35.6
|
1.0
|
N
|
C:ASP134
|
4.8
|
32.2
|
1.0
|
OE1
|
C:GLN129
|
4.9
|
26.2
|
1.0
|
|
Nickel binding site 4 out
of 6 in 6s0s
Go back to
Nickel Binding Sites List in 6s0s
Nickel binding site 4 out
of 6 in the The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 4 of The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ni301
b:23.1
occ:1.00
|
NE2
|
D:HIS132
|
2.0
|
23.7
|
1.0
|
NE2
|
D:HIS219
|
2.0
|
23.9
|
1.0
|
O1
|
D:AKG302
|
2.0
|
21.4
|
1.0
|
O
|
D:HOH403
|
2.1
|
31.2
|
1.0
|
O5
|
D:AKG302
|
2.1
|
25.8
|
1.0
|
OD1
|
D:ASP134
|
2.1
|
25.0
|
1.0
|
C1
|
D:AKG302
|
2.8
|
30.0
|
1.0
|
C2
|
D:AKG302
|
2.8
|
28.2
|
1.0
|
CE1
|
D:HIS219
|
2.9
|
22.3
|
1.0
|
CE1
|
D:HIS132
|
3.0
|
21.6
|
1.0
|
CG
|
D:ASP134
|
3.0
|
25.0
|
1.0
|
CD2
|
D:HIS132
|
3.0
|
21.3
|
1.0
|
CD2
|
D:HIS219
|
3.1
|
23.6
|
1.0
|
OD2
|
D:ASP134
|
3.3
|
25.4
|
1.0
|
O2
|
D:AKG302
|
4.0
|
26.6
|
1.0
|
ND1
|
D:HIS219
|
4.0
|
21.1
|
1.0
|
C1
|
D:RIO303
|
4.0
|
43.0
|
1.0
|
ND1
|
D:HIS132
|
4.1
|
23.1
|
1.0
|
CG
|
D:HIS132
|
4.1
|
22.0
|
1.0
|
CG
|
D:HIS219
|
4.1
|
21.5
|
1.0
|
C3
|
D:AKG302
|
4.2
|
28.7
|
1.0
|
O1
|
D:RIO303
|
4.3
|
42.2
|
1.0
|
CB
|
D:ASP134
|
4.4
|
23.1
|
1.0
|
O
|
D:HOH449
|
4.5
|
46.6
|
1.0
|
NH2
|
D:ARG213
|
4.7
|
31.2
|
1.0
|
C4
|
D:AKG302
|
4.7
|
29.6
|
1.0
|
CA
|
D:ASP134
|
4.8
|
24.0
|
1.0
|
OE1
|
D:GLN129
|
4.8
|
24.3
|
1.0
|
N
|
D:ASP134
|
4.8
|
21.9
|
1.0
|
C15
|
D:RIO303
|
5.0
|
33.9
|
1.0
|
|
Nickel binding site 5 out
of 6 in 6s0s
Go back to
Nickel Binding Sites List in 6s0s
Nickel binding site 5 out
of 6 in the The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 5 of The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ni301
b:46.0
occ:1.00
|
NE2
|
E:HIS132
|
2.0
|
52.3
|
1.0
|
NE2
|
E:HIS219
|
2.0
|
60.2
|
1.0
|
O5
|
E:AKG302
|
2.1
|
58.2
|
1.0
|
O2
|
E:AKG302
|
2.1
|
54.1
|
1.0
|
O
|
E:HOH401
|
2.1
|
23.8
|
1.0
|
OD1
|
E:ASP134
|
2.1
|
67.3
|
1.0
|
CE1
|
E:HIS219
|
2.8
|
56.6
|
1.0
|
C2
|
E:AKG302
|
2.9
|
67.3
|
1.0
|
C1
|
E:AKG302
|
2.9
|
69.9
|
1.0
|
CE1
|
E:HIS132
|
3.0
|
48.8
|
1.0
|
CG
|
E:ASP134
|
3.0
|
57.6
|
1.0
|
CD2
|
E:HIS132
|
3.0
|
50.9
|
1.0
|
CD2
|
E:HIS219
|
3.1
|
61.4
|
1.0
|
OD2
|
E:ASP134
|
3.3
|
55.5
|
1.0
|
ND1
|
E:HIS219
|
4.0
|
57.2
|
1.0
|
ND1
|
E:HIS132
|
4.1
|
48.8
|
1.0
|
O1
|
E:AKG302
|
4.1
|
50.1
|
1.0
|
CG
|
E:HIS219
|
4.1
|
59.9
|
1.0
|
O1
|
E:RIO303
|
4.1
|
51.2
|
1.0
|
CG
|
E:HIS132
|
4.1
|
52.3
|
1.0
|
C1
|
E:RIO303
|
4.1
|
54.4
|
1.0
|
C3
|
E:AKG302
|
4.3
|
62.9
|
1.0
|
CB
|
E:ASP134
|
4.4
|
60.8
|
1.0
|
NH2
|
E:ARG213
|
4.8
|
67.6
|
1.0
|
CA
|
E:ASP134
|
4.8
|
56.9
|
1.0
|
C4
|
E:AKG302
|
4.8
|
58.2
|
1.0
|
OE1
|
E:GLN129
|
4.8
|
55.1
|
1.0
|
N
|
E:ASP134
|
4.8
|
56.5
|
1.0
|
O6
|
E:RIO303
|
4.9
|
49.8
|
1.0
|
|
Nickel binding site 6 out
of 6 in 6s0s
Go back to
Nickel Binding Sites List in 6s0s
Nickel binding site 6 out
of 6 in the The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 6 of The Crystal Structure of Kanamycin B Dioxygenase (Kanj) From Streptomyces Kanamyceticus in Complex with Nickel, Ribostamycin B and 2-Oxoglutarate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ni301
b:23.1
occ:1.00
|
NE2
|
F:HIS219
|
2.0
|
25.1
|
1.0
|
NE2
|
F:HIS132
|
2.0
|
23.9
|
1.0
|
O1
|
F:AKG302
|
2.0
|
23.6
|
1.0
|
O
|
F:HOH402
|
2.0
|
22.5
|
1.0
|
O5
|
F:AKG302
|
2.1
|
29.5
|
1.0
|
OD1
|
F:ASP134
|
2.1
|
27.9
|
1.0
|
C2
|
F:AKG302
|
2.8
|
31.6
|
1.0
|
C1
|
F:AKG302
|
2.8
|
31.3
|
1.0
|
CE1
|
F:HIS219
|
2.9
|
23.5
|
1.0
|
CG
|
F:ASP134
|
3.0
|
25.4
|
1.0
|
CE1
|
F:HIS132
|
3.0
|
24.9
|
1.0
|
CD2
|
F:HIS132
|
3.1
|
24.0
|
1.0
|
CD2
|
F:HIS219
|
3.1
|
24.4
|
1.0
|
OD2
|
F:ASP134
|
3.2
|
22.2
|
1.0
|
O2
|
F:AKG302
|
4.0
|
27.1
|
1.0
|
ND1
|
F:HIS219
|
4.0
|
23.1
|
1.0
|
ND1
|
F:HIS132
|
4.1
|
24.9
|
1.0
|
O
|
F:HOH462
|
4.1
|
44.8
|
1.0
|
CG
|
F:HIS219
|
4.1
|
23.8
|
1.0
|
C1
|
F:RIO303
|
4.1
|
38.3
|
1.0
|
CG
|
F:HIS132
|
4.2
|
23.2
|
1.0
|
C3
|
F:AKG302
|
4.2
|
30.6
|
1.0
|
O1
|
F:RIO303
|
4.2
|
33.1
|
1.0
|
CB
|
F:ASP134
|
4.4
|
25.4
|
1.0
|
NH2
|
F:ARG213
|
4.6
|
31.8
|
1.0
|
C4
|
F:AKG302
|
4.7
|
30.1
|
1.0
|
CA
|
F:ASP134
|
4.8
|
24.4
|
1.0
|
OE1
|
F:GLN129
|
4.8
|
25.9
|
1.0
|
N
|
F:ASP134
|
4.8
|
23.6
|
1.0
|
|
Reference:
B.Mrugala,
A.Milaczewska,
P.J.Porebski,
E.Niedzialkowska,
M.Guzik,
W.Minor,
T.Borowski.
A Study on the Structure, Mechanism, and Biochemistry of Kanamycin B Dioxygenase (Kanj)-An Enzyme with A Broad Range of Substrates. Febs J. 2020.
ISSN: ISSN 1742-464X
PubMed: 32592631
DOI: 10.1111/FEBS.15462
Page generated: Thu Oct 10 08:50:41 2024
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