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Potassium in PDB 2wj6: Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate

Enzymatic activity of Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate

All present enzymatic activity of Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate:
1.13.11.48;

Protein crystallography data

The structure of Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate, PDB code: 2wj6 was solved by R.A.Steiner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.52 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.940, 167.090, 167.230, 90.00, 90.00, 90.00
R / Rfree (%) 17.853 / 21.65

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate (pdb code 2wj6). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 5 binding sites of Potassium where determined in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate, PDB code: 2wj6:
Jump to Potassium binding site number: 1; 2; 3; 4; 5;

Potassium binding site 1 out of 5 in 2wj6

Go back to Potassium Binding Sites List in 2wj6
Potassium binding site 1 out of 5 in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1282

b:19.3
occ:1.00
 O3 A:GOL1276 2.4 22.1 1.0
O A:HOH2169 2.4 9.6 1.0
O A:ALA235 2.5 21.8 1.0
O A:PHE241 2.6 15.6 1.0
O A:HIS238 2.7 22.4 1.0
O2 A:GOL1276 3.0 15.7 1.0
C A:ALA235 3.5 21.3 1.0
C3 A:GOL1276 3.5 17.2 1.0
O A:PRO239 3.7 19.5 1.0
C A:HIS238 3.7 21.6 1.0
C2 A:GOL1276 3.7 20.3 1.0
C A:PHE241 3.8 16.7 1.0
CA A:ALA235 3.8 19.9 1.0
CA A:PRO239 3.9 21.0 1.0
C A:PRO239 3.9 20.0 1.0
CB A:ALA235 4.0 19.5 1.0
N A:PRO239 4.2 21.4 1.0
N A:PHE241 4.3 17.0 1.0
CA A:PHE241 4.6 16.5 1.0
N A:GLU236 4.6 22.1 1.0
N A:TRP240 4.7 18.2 1.0
N A:SER242 4.8 15.7 1.0
CA A:HIS238 4.8 21.8 1.0
N A:HIS238 4.9 21.9 1.0
CB A:PHE241 5.0 17.2 1.0

Potassium binding site 2 out of 5 in 2wj6

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Potassium binding site 2 out of 5 in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1283

b:21.4
occ:1.00
 O A:ASP165 2.7 15.3 1.0
O11 A:SRT1286 2.9 23.6 1.0
O41 A:SRT1286 2.9 15.9 1.0
O3 A:SRT1286 3.0 17.9 1.0
O A:HOH2099 3.1 15.5 1.0
O A:HOH2098 3.2 15.1 1.0
C1 A:SRT1286 3.6 22.8 1.0
C A:ASP165 3.7 15.6 1.0
O A:HOH2178 3.7 36.2 1.0
C4 A:SRT1286 3.7 19.2 1.0
C3 A:SRT1286 3.9 20.1 1.0
CB A:ASP165 4.0 14.7 1.0
O1 A:SRT1286 4.2 21.4 1.0
CA A:ASP165 4.3 15.0 1.0
OD2 A:ASP165 4.4 15.9 1.0
C2 A:SRT1286 4.4 20.6 1.0
O C:LEU246 4.6 15.7 1.0
CG A:ASP165 4.6 15.4 1.0
N A:ASP165 4.7 14.2 1.0
N A:GLU166 4.7 15.2 1.0
O C:LYS245 4.8 15.1 1.0
CA A:GLU166 4.9 15.6 1.0
O4 A:SRT1286 4.9 25.7 1.0

Potassium binding site 3 out of 5 in 2wj6

Go back to Potassium Binding Sites List in 2wj6
Potassium binding site 3 out of 5 in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1281

b:18.6
occ:1.00
 O B:ALA235 2.5 21.0 1.0
O B:PHE241 2.6 15.3 1.0
O B:HIS238 2.7 22.7 1.0
O B:HOH2158 2.8 16.4 1.0
C B:ALA235 3.5 21.2 1.0
O B:PRO239 3.5 19.6 1.0
C B:HIS238 3.7 21.6 1.0
C B:PHE241 3.8 16.3 1.0
C B:PRO239 3.8 19.6 1.0
CA B:PRO239 3.8 20.9 1.0
CA B:ALA235 3.9 19.7 1.0
CB B:ALA235 4.0 19.7 1.0
N B:PRO239 4.2 21.3 1.0
N B:PHE241 4.3 17.2 1.0
O B:HOH2162 4.5 46.9 1.0
CA B:PHE241 4.5 16.6 1.0
N B:GLU236 4.7 22.1 1.0
N B:TRP240 4.7 18.4 1.0
N B:SER242 4.8 16.0 1.0
CA B:HIS238 4.8 21.8 1.0
N B:HIS238 4.9 21.9 1.0
CB B:PHE241 4.9 16.7 1.0
CA B:SER242 5.0 16.0 1.0

Potassium binding site 4 out of 5 in 2wj6

Go back to Potassium Binding Sites List in 2wj6
Potassium binding site 4 out of 5 in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1279

b:22.4
occ:1.00
 O C:PHE241 2.4 15.1 1.0
O C:HOH2191 2.4 25.8 1.0
O C:HOH2184 2.7 27.9 1.0
O C:ALA235 2.8 21.3 1.0
O C:HOH2185 3.0 41.6 1.0
O C:HIS238 3.0 22.5 1.0
C C:PHE241 3.6 16.3 1.0
O C:PRO239 3.7 19.2 1.0
C C:ALA235 3.7 20.7 1.0
C C:PRO239 4.0 20.0 1.0
C C:HIS238 4.0 21.6 1.0
CA C:ALA235 4.0 19.6 1.0
CB C:ALA235 4.0 19.5 1.0
CA C:PRO239 4.1 20.8 1.0
N C:PHE241 4.3 16.6 1.0
OD2 A:ASP158 4.4 19.2 1.0
CA C:PHE241 4.4 16.3 1.0
N C:PRO239 4.5 21.2 1.0
N C:SER242 4.6 15.7 1.0
CB A:ASP158 4.7 16.4 1.0
CA C:SER242 4.7 15.7 1.0
N C:TRP240 4.8 18.6 1.0
CG A:ASP158 4.8 18.6 1.0
N C:GLU236 4.9 21.8 1.0
CB C:PHE241 4.9 16.8 1.0

Potassium binding site 5 out of 5 in 2wj6

Go back to Potassium Binding Sites List in 2wj6
Potassium binding site 5 out of 5 in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Complexed with Its Natural Product N-Acetylanthranilate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1277

b:27.0
occ:1.00
 O D:HOH2137 2.4 25.9 1.0
O D:PHE241 2.5 14.8 1.0
O D:HOH2134 2.7 30.4 1.0
O D:ALA235 2.9 21.0 1.0
O D:HIS238 3.1 22.3 1.0
O D:PRO239 3.7 20.0 1.0
C D:PHE241 3.7 16.9 1.0
C D:ALA235 3.8 21.2 1.0
C D:PRO239 4.0 19.9 1.0
CA D:PRO239 4.0 20.7 1.0
C D:HIS238 4.0 21.6 1.0
CA D:ALA235 4.1 19.7 1.0
CB D:ALA235 4.1 19.8 1.0
N D:PHE241 4.3 16.8 1.0
OD2 B:ASP158 4.4 19.4 1.0
N D:PRO239 4.5 21.2 1.0
CA D:PHE241 4.5 16.4 1.0
N D:SER242 4.7 15.8 1.0
CB B:ASP158 4.8 16.5 1.0
CA D:SER242 4.8 16.2 1.0
N D:TRP240 4.8 18.7 1.0
CG B:ASP158 4.9 19.0 1.0
N D:GLU236 4.9 21.9 1.0
CB D:PHE241 5.0 16.9 1.0

Reference:

R.A.Steiner, H.J.Janssen, P.Roversi, A.J.Oakley, S.Fetzner. Structural Basis For Cofactor-Independent Dioxygenation of N-Heteroaromatic Compounds at the {Alpha}/{Beta}-Hydrolase Fold. Proc.Natl.Acad.Sci.Usa V. 107 657 2010.
ISSN: ISSN 0027-8424
PubMed: 20080731
DOI: 10.1073/PNAS.0909033107
Page generated: Mon Aug 12 07:29:39 2024

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