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Potassium in PDB 7nf0: T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn

Enzymatic activity of T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn

All present enzymatic activity of T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn:
4.1.1.102;

Protein crystallography data

The structure of T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn, PDB code: 7nf0 was solved by A.Saaret, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 63.50 / 1.35
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 74.593, 74.593, 345.772, 90, 90, 120
R / Rfree (%) 16.6 / 18.4

Other elements in 7nf0:

The structure of T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn (pdb code 7nf0). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn, PDB code: 7nf0:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 7nf0

Go back to Potassium Binding Sites List in 7nf0
Potassium binding site 1 out of 4 in the T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K703

b:11.7
occ:1.00
 O A:LEU471 2.6 11.3 1.0
O A:ARG431 2.6 11.6 1.0
O A:ASP469 2.7 11.2 1.0
OD2 A:ASP437 2.8 12.6 1.0
O A:HOH1121 2.8 13.4 1.0
O A:HOH849 3.2 13.6 1.0
OD2 A:ASP469 3.3 15.5 1.0
CG A:ASP437 3.4 12.6 1.0
CG A:ASP469 3.7 13.5 1.0
C A:LEU471 3.7 10.7 1.0
C A:ASP469 3.8 11.1 1.0
C A:ARG431 3.8 10.9 1.0
CB A:ASP437 3.9 11.5 1.0
OD1 A:ASP469 4.0 14.0 1.0
OD1 B:ASN457 4.0 15.9 1.0
N A:LEU471 4.1 11.0 1.0
OD1 A:ASP437 4.1 13.6 1.0
CA A:CYS432 4.2 10.7 1.0
O A:HOH913 4.3 13.2 1.0
CB A:ASP469 4.3 11.5 1.0
CA A:LEU472 4.4 12.0 1.0
N A:LEU472 4.4 11.5 1.0
CA A:ALA470 4.4 10.2 1.0
N A:CYS432 4.5 10.7 1.0
N A:ALA470 4.5 10.6 1.0
CA A:LEU471 4.5 11.9 1.0
C A:ALA470 4.6 10.9 1.0
CA A:ASP469 4.7 11.3 1.0
N A:ARG433 4.7 11.0 1.0
CA A:ARG431 4.9 9.6 1.0
C A:LEU472 4.9 12.0 1.0

Potassium binding site 2 out of 4 in 7nf0

Go back to Potassium Binding Sites List in 7nf0
Potassium binding site 2 out of 4 in the T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K704

b:10.5
occ:1.00
 OE2 A:GLU243 2.8 9.9 1.0
O A:MET235 2.8 11.1 1.0
O9 A:BYN702 2.8 9.6 1.0
O A:ALA232 2.9 10.1 1.0
O7 A:BYN702 3.0 9.4 1.0
O A:TRP179 3.0 9.3 1.0
O A:SER233 3.1 10.5 1.0
O A:HOH851 3.4 10.1 1.0
P1 A:BYN702 3.4 9.3 1.0
C A:SER233 3.5 9.4 1.0
CD A:GLU243 3.6 9.5 1.0
MN A:MN705 3.7 8.8 0.7
CA A:SER233 3.7 9.7 1.0
O10 A:BYN702 3.7 10.3 1.0
CG A:GLU243 3.8 10.7 1.0
C A:MET235 3.9 10.4 1.0
C A:ALA232 3.9 9.9 1.0
N A:MET235 4.1 10.4 1.0
O6 A:BYN702 4.2 11.7 1.0
C22 A:BYN702 4.2 10.0 1.0
C21 A:BYN702 4.2 9.6 1.0
C A:TRP179 4.2 8.8 1.0
CB A:SER180 4.3 10.2 1.0
N A:SER233 4.3 10.1 1.0
CA A:SER180 4.4 8.9 1.0
N A:SER234 4.4 9.7 1.0
CA A:MET235 4.6 10.9 1.0
OE1 A:GLU243 4.7 10.4 1.0
C A:SER234 4.8 10.3 1.0
OD1 A:ASN178 4.8 11.7 1.0
N A:SER180 4.8 9.1 1.0
O8 A:BYN702 4.9 9.7 1.0
N A:PRO236 4.9 10.1 1.0
N A:ILE237 4.9 10.4 1.0
CG1 A:ILE237 4.9 12.1 1.0

Potassium binding site 3 out of 4 in 7nf0

Go back to Potassium Binding Sites List in 7nf0
Potassium binding site 3 out of 4 in the T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K703

b:12.4
occ:1.00
 O B:ARG431 2.6 11.2 1.0
O B:LEU471 2.7 13.2 1.0
O B:ASP469 2.7 12.3 1.0
OD2 B:ASP437 2.7 12.5 1.0
O B:HOH1077 2.8 12.7 1.0
O B:HOH857 3.3 13.5 1.0
OD2 B:ASP469 3.3 14.9 1.0
CG B:ASP437 3.4 12.3 1.0
CG B:ASP469 3.6 14.1 1.0
C B:LEU471 3.7 12.1 1.0
C B:ASP469 3.8 12.3 1.0
C B:ARG431 3.8 10.2 1.0
CB B:ASP437 3.9 11.4 1.0
OD1 B:ASP469 4.0 14.2 1.0
OD1 A:ASN457 4.0 16.3 1.0
OD1 B:ASP437 4.1 14.3 1.0
N B:LEU471 4.1 11.8 1.0
CA B:CYS432 4.2 11.0 1.0
O B:HOH879 4.2 12.6 1.0
CB B:ASP469 4.3 13.0 1.0
N B:LEU472 4.4 11.6 1.0
CA B:LEU472 4.4 12.0 1.0
N B:CYS432 4.4 10.7 1.0
CA B:ALA470 4.5 11.0 1.0
N B:ALA470 4.5 11.8 1.0
CA B:LEU471 4.5 12.0 1.0
C B:ALA470 4.6 10.8 1.0
N B:ARG433 4.7 9.8 1.0
CA B:ASP469 4.7 11.9 1.0
CA B:ARG431 4.9 9.9 1.0
C B:LEU472 4.9 12.9 1.0

Potassium binding site 4 out of 4 in 7nf0

Go back to Potassium Binding Sites List in 7nf0
Potassium binding site 4 out of 4 in the T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K704

b:14.8
occ:1.00
 OE2 B:GLU243 2.8 15.3 1.0
O B:MET235 2.8 14.4 1.0
O8 B:BYN702 2.9 12.3 1.0
O B:ALA232 2.9 15.9 1.0
O7 B:BYN702 3.0 12.9 1.0
O B:TRP179 3.0 12.8 1.0
O B:SER233 3.1 14.3 1.0
O B:HOH818 3.4 13.8 1.0
P1 B:BYN702 3.5 12.9 1.0
C B:SER233 3.5 13.3 1.0
CD B:GLU243 3.6 15.4 1.0
MN B:MN705 3.7 12.7 0.7
O9 B:BYN702 3.7 13.7 1.0
CA B:SER233 3.7 13.7 1.0
CG B:GLU243 3.8 14.4 1.0
C B:MET235 3.9 16.2 1.0
C B:ALA232 4.0 14.8 1.0
N B:MET235 4.1 16.2 1.0
C B:TRP179 4.1 12.2 1.0
O6 B:BYN702 4.2 15.1 1.0
C22 B:BYN702 4.2 14.3 1.0
C21 B:BYN702 4.3 13.7 1.0
CB B:SER180 4.3 12.8 1.0
N B:SER233 4.3 14.4 1.0
CA B:SER180 4.4 12.2 1.0
N B:SER234 4.4 14.2 1.0
CA B:MET235 4.6 15.7 1.0
OE1 B:GLU243 4.6 14.2 1.0
OD1 B:ASN178 4.8 17.1 1.0
N B:SER180 4.8 12.9 1.0
C B:SER234 4.8 16.9 1.0
O10 B:BYN702 4.8 12.8 1.0
N B:PRO236 4.9 16.6 1.0
N B:ILE237 5.0 15.3 1.0
CG1 B:ILE237 5.0 17.1 1.0

Reference:

A.Saaret, B.Villiers, F.Stricher, M.Anissimova, M.Cadillon, R.Spiess, S.Hay, D.Leys. Directed Evolution of Prenylated Fmn-Dependent Fdc Supports Efficient in Vivo Isobutene Production Nat Commun 2021.
ISSN: ESSN 2041-1723
Page generated: Mon Aug 12 19:29:51 2024

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