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Potassium in PDB 2wj4: Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A Anaerobically Complexed with Its Natural Substrate 1-H-3-Hydroxy-4-Oxoquinaldine

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

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 Anaerobically Complexed with Its Natural Substrate 1-H-3-Hydroxy-4-Oxoquinaldine:
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 Anaerobically Complexed with Its Natural Substrate 1-H-3-Hydroxy-4-Oxoquinaldine, PDB code: 2wj4 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) 38.84 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.810, 167.200, 167.220, 90.00, 90.00, 90.00
R / Rfree (%) 17.602 / 20.395

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 Anaerobically Complexed with Its Natural Substrate 1-H-3-Hydroxy-4-Oxoquinaldine (pdb code 2wj4). 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 Anaerobically Complexed with Its Natural Substrate 1-H-3-Hydroxy-4-Oxoquinaldine, PDB code: 2wj4:
Jump to Potassium binding site number: 1; 2; 3; 4; 5;

Potassium binding site 1 out of 5 in 2wj4

Go back to Potassium Binding Sites List in 2wj4
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 Anaerobically Complexed with Its Natural Substrate 1-H-3-Hydroxy-4-Oxoquinaldine


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 Anaerobically Complexed with Its Natural Substrate 1-H-3-Hydroxy-4-Oxoquinaldine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1279

b:38.9
occ:1.00
 O A:ALA235 2.5 29.9 1.0
O A:PHE241 2.5 23.9 1.0
O3 A:GOL1277 2.6 31.0 1.0
O A:HOH2097 2.8 24.7 1.0
O A:HIS238 2.9 31.4 1.0
O A:HOH2086 2.9 27.6 1.0
O2 A:GOL1277 3.2 24.4 1.0
C A:ALA235 3.5 30.1 1.0
C3 A:GOL1277 3.7 25.2 1.0
O A:PRO239 3.7 29.3 1.0
C A:PHE241 3.7 24.1 1.0
C A:HIS238 3.8 31.1 1.0
C2 A:GOL1277 3.8 29.7 1.0
CA A:PRO239 3.8 30.5 1.0
C A:PRO239 3.9 29.3 1.0
CA A:ALA235 3.9 29.0 1.0
CB A:ALA235 3.9 28.5 1.0
N A:PRO239 4.2 30.9 1.0
N A:PHE241 4.2 25.6 1.0
CA A:PHE241 4.5 24.2 1.0
N A:TRP240 4.7 27.7 1.0
N A:SER242 4.7 23.4 1.0
N A:GLU236 4.7 31.0 1.0
CA A:SER242 4.9 23.5 1.0
CA A:HIS238 4.9 31.3 1.0
N A:HIS238 5.0 31.9 1.0
CB A:PHE241 5.0 24.9 1.0

Potassium binding site 2 out of 5 in 2wj4

Go back to Potassium Binding Sites List in 2wj4
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 Anaerobically Complexed with Its Natural Substrate 1-H-3-Hydroxy-4-Oxoquinaldine


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 Anaerobically Complexed with Its Natural Substrate 1-H-3-Hydroxy-4-Oxoquinaldine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1280

b:39.1
occ:1.00
 O11 A:SRT1283 2.7 38.4 1.0
O3 A:SRT1283 2.7 29.0 1.0
O A:ASP165 2.9 26.4 1.0
O C:HOH2098 2.9 24.9 1.0
O A:HOH2100 2.9 30.6 1.0
O41 A:SRT1283 2.9 22.5 1.0
C1 A:SRT1283 3.3 35.1 1.0
C4 A:SRT1283 3.7 28.0 1.0
C3 A:SRT1283 3.7 31.8 1.0
O1 A:SRT1283 3.7 38.1 1.0
C A:ASP165 3.8 26.3 1.0
CB A:ASP165 4.1 26.0 1.0
C2 A:SRT1283 4.1 32.1 1.0
CA A:ASP165 4.4 25.4 1.0
OD2 A:ASP165 4.6 26.3 1.0
N A:ASP165 4.7 24.7 1.0
CG A:ASP165 4.7 25.0 1.0
O C:LEU246 4.7 24.7 1.0
N A:GLU166 4.8 27.0 1.0
O4 A:SRT1283 4.8 34.0 1.0
O C:LYS245 4.8 26.6 1.0
CA A:GLU166 4.9 26.9 1.0

Potassium binding site 3 out of 5 in 2wj4

Go back to Potassium Binding Sites List in 2wj4
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 Anaerobically Complexed with Its Natural Substrate 1-H-3-Hydroxy-4-Oxoquinaldine


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 Anaerobically Complexed with Its Natural Substrate 1-H-3-Hydroxy-4-Oxoquinaldine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1277

b:30.1
occ:1.00
 O B:PHE241 2.6 22.9 1.0
O B:ALA235 2.7 29.2 1.0
O B:HIS238 2.8 31.4 1.0
O B:HOH2082 3.2 32.9 1.0
O B:PRO239 3.6 29.2 1.0
C B:ALA235 3.7 30.0 1.0
C B:PHE241 3.8 23.7 1.0
CA B:PRO239 3.8 30.4 1.0
C B:HIS238 3.8 30.9 1.0
C B:PRO239 3.8 29.1 1.0
CA B:ALA235 4.1 28.9 1.0
CB B:ALA235 4.1 28.5 1.0
N B:PHE241 4.2 25.6 1.0
N B:PRO239 4.2 31.0 1.0
CA B:PHE241 4.5 24.4 1.0
N B:TRP240 4.7 27.7 1.0
N B:SER242 4.7 24.0 1.0
N B:GLU236 4.8 31.3 1.0
CA B:SER242 4.9 23.5 1.0

Potassium binding site 4 out of 5 in 2wj4

Go back to Potassium Binding Sites List in 2wj4
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 Anaerobically Complexed with Its Natural Substrate 1-H-3-Hydroxy-4-Oxoquinaldine


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 Anaerobically Complexed with Its Natural Substrate 1-H-3-Hydroxy-4-Oxoquinaldine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1276

b:25.5
occ:1.00
 O C:PHE241 2.6 22.7 1.0
O C:ALA235 2.6 29.3 1.0
O3 A:GOL1276 2.9 36.1 1.0
O C:HIS238 3.0 31.0 1.0
C C:ALA235 3.5 29.3 1.0
C3 A:GOL1276 3.6 37.2 1.0
C C:PHE241 3.8 24.0 1.0
O C:HOH2092 3.8 44.7 1.0
O C:PRO239 3.8 29.0 1.0
C C:HIS238 3.9 30.8 1.0
CA C:ALA235 3.9 28.4 1.0
CB C:ALA235 3.9 28.2 1.0
CA C:PRO239 4.0 30.4 1.0
C C:PRO239 4.0 29.5 1.0
N C:PRO239 4.3 30.4 1.0
N C:PHE241 4.4 24.5 1.0
O2 A:GOL1276 4.5 39.8 1.0
C2 A:GOL1276 4.6 35.9 1.0
CA C:PHE241 4.6 24.0 1.0
N C:GLU236 4.7 30.5 1.0
N C:SER242 4.7 23.6 1.0
OD2 A:ASP158 4.8 30.6 1.0
CB A:ASP158 4.8 25.1 1.0
N C:TRP240 4.9 28.1 1.0
C1 A:GOL1276 4.9 32.8 1.0
CA C:SER242 4.9 23.4 1.0

Potassium binding site 5 out of 5 in 2wj4

Go back to Potassium Binding Sites List in 2wj4
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 Anaerobically Complexed with Its Natural Substrate 1-H-3-Hydroxy-4-Oxoquinaldine


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 Anaerobically Complexed with Its Natural Substrate 1-H-3-Hydroxy-4-Oxoquinaldine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1277

b:33.9
occ:1.00
 O D:HOH2067 2.3 30.0 1.0
O D:ALA235 2.5 29.5 1.0
O D:PHE241 2.6 23.5 1.0
O D:HOH2066 3.0 34.0 1.0
O D:HIS238 3.1 31.6 1.0
O3 B:GOL1276 3.3 46.7 1.0
C D:ALA235 3.5 29.8 1.0
C D:PHE241 3.8 24.7 1.0
CB D:ALA235 3.9 28.2 1.0
CA D:ALA235 3.9 28.4 1.0
O D:PRO239 3.9 29.9 1.0
C D:HIS238 4.0 30.9 1.0
CA D:PRO239 4.0 30.4 1.0
C D:PRO239 4.1 29.8 1.0
C3 B:GOL1276 4.3 47.6 1.0
N D:PHE241 4.4 25.3 1.0
N D:PRO239 4.4 31.2 1.0
N D:GLU236 4.6 30.9 1.0
CA D:PHE241 4.7 24.2 1.0
N D:SER242 4.8 24.1 1.0
OD2 B:ASP158 4.8 30.4 1.0
CA D:SER242 4.9 23.8 1.0
N D:TRP240 4.9 28.5 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 07:29:10 2024

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