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Nickel in PDB 4wqm: Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant

Enzymatic activity of Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant

All present enzymatic activity of Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant:
1.18.1.3;

Protein crystallography data

The structure of Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant, PDB code: 4wqm was solved by J.F.Acheson, B.G.Fox, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.13 / 1.62
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 84.334, 69.074, 68.224, 90.00, 116.53, 90.00
R / Rfree (%) 14.5 / 18.9

Other elements in 4wqm:

The structure of Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Nickel Binding Sites:

The binding sites of Nickel atom in the Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant (pdb code 4wqm). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 4 binding sites of Nickel where determined in the Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant, PDB code: 4wqm:
Jump to Nickel binding site number: 1; 2; 3; 4;

Nickel binding site 1 out of 4 in 4wqm

Go back to Nickel Binding Sites List in 4wqm
Nickel binding site 1 out of 4 in the Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni403

b:32.4
occ:1.00
 NE2 A:HIS12 2.0 25.1 1.0
CE1 A:HIS12 2.8 24.6 1.0
CD2 A:HIS12 3.2 24.4 1.0
ND1 A:HIS12 4.0 23.8 1.0
CG A:HIS12 4.2 20.9 1.0

Nickel binding site 2 out of 4 in 4wqm

Go back to Nickel Binding Sites List in 4wqm
Nickel binding site 2 out of 4 in the Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni404

b:85.5
occ:1.00
 O A:HOH657 2.3 39.1 1.0
NE2 A:HIS11 2.4 17.5 1.0
O A:HOH644 2.6 35.3 1.0
O A:HOH847 3.3 38.6 1.0
CD2 A:HIS11 3.3 18.0 1.0
O A:HOH818 3.3 38.5 1.0
CE1 A:HIS11 3.4 18.4 1.0
O A:GLU29 3.5 24.1 1.0
O A:HOH752 3.8 25.4 1.0
O A:ALA28 3.8 21.4 1.0
CB A:GLU29 4.0 21.5 1.0
C A:GLU29 4.3 20.0 1.0
CG A:HIS11 4.5 17.1 1.0
ND1 A:HIS11 4.5 18.8 1.0
O A:HOH653 4.5 50.8 1.0
O A:HOH596 4.5 28.8 1.0
CA A:GLU29 4.8 20.3 1.0
C A:ALA28 4.9 19.5 1.0

Nickel binding site 3 out of 4 in 4wqm

Go back to Nickel Binding Sites List in 4wqm
Nickel binding site 3 out of 4 in the Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni405

b:35.9
occ:1.00
 NE2 A:HIS278 2.0 27.2 1.0
CE1 A:HIS278 3.0 25.3 1.0
CD2 A:HIS278 3.0 23.4 1.0
ND1 A:HIS278 4.1 24.2 1.0
CG A:HIS278 4.2 21.9 1.0
CG A:GLU279 4.4 24.1 1.0
OE2 A:GLU279 4.5 31.2 1.0
O A:HOH517 4.7 33.4 1.0
O A:HOH551 4.9 30.4 1.0

Nickel binding site 4 out of 4 in 4wqm

Go back to Nickel Binding Sites List in 4wqm
Nickel binding site 4 out of 4 in the Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni409

b:15.6
occ:1.00
 N A:BTB406 2.0 16.3 1.0
O6 A:BTB406 2.0 17.5 1.0
O8 A:BTB406 2.0 20.2 1.0
O1 A:BTB406 2.0 15.2 1.0
O4 A:BTB406 2.1 14.9 1.0
NE2 A:HIS98 2.1 15.4 1.0
C2 A:BTB406 2.6 17.7 1.0
C7 A:BTB406 2.8 20.4 1.0
C8 A:BTB406 2.8 23.1 1.0
C4 A:BTB406 2.8 16.4 1.0
C1 A:BTB406 2.9 18.0 1.0
C5 A:BTB406 2.9 17.4 1.0
C6 A:BTB406 3.0 17.7 1.0
CE1 A:HIS98 3.0 13.8 1.0
CD2 A:HIS98 3.1 14.8 1.0
O A:HOH511 4.0 26.6 1.0
C3 A:BTB406 4.1 22.2 1.0
ND1 A:HIS98 4.1 11.8 1.0
O A:PHE130 4.2 11.4 1.0
CG A:HIS98 4.2 11.9 1.0
C A:PHE130 4.9 9.0 1.0

Reference:

J.F.Acheson, H.Moseson, B.G.Fox. Structure of T4MOF, the Toluene 4-Monooxygenase Ferredoxin Oxidoreductase. Biochemistry V. 54 5980 2015.
ISSN: ISSN 0006-2960
PubMed: 26309236
DOI: 10.1021/ACS.BIOCHEM.5B00692
Page generated: Wed Oct 9 19:18:43 2024

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