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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:

Chlorine (Cl) 3 atoms

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

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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

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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

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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

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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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