Sodium in PDB 7v8r: Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of C2221

Enzymatic activity of Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of C2221

All present enzymatic activity of Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of C2221:
1.14.13.22;

Protein crystallography data

The structure of Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of C2221, PDB code: 7v8r was solved by T.Li, G.Y.Li, H.Yin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.46 / 1.76
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 68.517, 113.787, 155.983, 90, 90, 90
R / Rfree (%) 15.5 / 18.6

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of C2221 (pdb code 7v8r). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of C2221, PDB code: 7v8r:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in 7v8r

Go back to Sodium Binding Sites List in 7v8r
Sodium binding site 1 out of 3 in the Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of C2221


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of C2221 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na611

b:45.1
occ:1.00
 NE2 A:GLN203 2.2 24.0 1.0
O A:HOH857 2.7 28.3 1.0
OG1 A:THR205 2.9 15.6 1.0
O A:VAL181 3.0 14.8 1.0
CD2 A:LEU373 3.3 20.8 1.0
O A:GLN203 3.4 16.8 1.0
N A:THR205 3.4 15.2 1.0
CD A:GLN203 3.5 24.7 1.0
N A:VAL181 3.6 15.0 1.0
CB A:THR205 3.6 14.9 1.0
C A:GLN203 3.7 16.1 1.0
C A:VAL181 3.7 14.7 1.0
C A:LEU204 4.0 14.7 1.0
N A:LEU204 4.0 16.0 1.0
CB A:GLN203 4.0 19.5 1.0
CA A:LEU204 4.1 13.5 1.0
C A:ARG180 4.1 16.2 1.0
CB A:ARG180 4.1 20.0 1.0
CA A:THR205 4.1 13.7 1.0
O A:GLU372 4.2 20.8 1.0
CG A:GLN203 4.2 22.7 1.0
CA A:ARG180 4.2 17.5 1.0
CA A:VAL181 4.3 14.1 1.0
OE1 A:GLN203 4.4 27.8 1.0
O A:HOH850 4.5 22.4 1.0
CA A:GLN203 4.5 17.6 1.0
N A:GLY182 4.5 13.9 1.0
CG A:LEU373 4.7 19.0 1.0
O A:HOH1178 4.8 34.4 1.0
O A:LEU204 4.8 15.6 1.0
CG A:ARG180 4.9 25.9 1.0
O A:ARG180 4.9 16.0 1.0
CA A:GLY182 4.9 15.1 1.0
CG2 A:THR205 5.0 15.4 1.0

Sodium binding site 2 out of 3 in 7v8r

Go back to Sodium Binding Sites List in 7v8r
Sodium binding site 2 out of 3 in the Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of C2221


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of C2221 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na612

b:30.0
occ:1.00
 OE1 A:GLU94 2.3 29.4 1.0
O A:HOH873 2.5 18.2 1.0
O A:HOH702 2.9 30.0 1.0
O A:HOH710 3.2 29.7 1.0
CD A:GLU94 3.2 22.9 1.0
OE2 A:GLU94 3.5 25.1 1.0
CA A:ALA91 4.0 15.6 1.0
CG A:LEU90 4.1 14.1 1.0
N A:ALA91 4.1 15.1 1.0
O A:HOH1190 4.2 27.8 1.0
CB A:ALA91 4.2 16.9 1.0
CD2 A:LEU90 4.2 14.6 1.0
O A:HOH1163 4.4 30.0 1.0
C A:LEU90 4.5 14.7 1.0
CG A:GLU94 4.6 17.2 1.0
CB A:LEU90 4.6 14.7 1.0
O A:PRO87 4.7 15.2 1.0
O A:LEU90 4.8 13.7 1.0
CB A:GLU94 4.9 16.2 1.0

Sodium binding site 3 out of 3 in 7v8r

Go back to Sodium Binding Sites List in 7v8r
Sodium binding site 3 out of 3 in the Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of C2221


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of C2221 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na613

b:30.0
occ:1.00
 OG A:SER491 2.2 19.9 0.6
O A:HOH932 2.5 21.2 1.0
O A:ALA489 3.0 32.8 1.0
CB A:SER491 3.2 25.2 0.4
CB A:SER491 3.2 23.8 0.6
N A:SER491 3.2 24.5 1.0
CB A:ILE493 3.5 16.1 1.0
CA A:SER491 3.5 24.1 0.4
CA A:SER491 3.6 23.2 0.6
CD1 A:PHE494 3.7 15.3 1.0
C A:ALA489 3.8 28.2 1.0
O A:SER491 3.8 29.6 1.0
C A:SER491 3.9 24.9 1.0
N A:ILE493 3.9 15.3 1.0
CD1 A:ILE493 3.9 17.5 1.0
O A:PHE486 4.0 17.9 1.0
CG1 A:ILE493 4.0 15.9 1.0
C A:ASP490 4.1 23.6 1.0
CA A:ILE493 4.2 14.8 1.0
N A:PHE494 4.2 17.1 1.0
CE1 A:PHE494 4.3 16.2 1.0
OG A:SER491 4.4 23.9 0.4
CB A:ALA489 4.4 23.8 1.0
CG2 A:ILE493 4.4 16.5 1.0
O A:HOH1084 4.5 31.5 1.0
C A:ILE493 4.6 16.4 1.0
N A:ASP490 4.6 21.8 1.0
CA A:ALA489 4.7 21.3 1.0
N A:TRP492 4.7 19.4 1.0
CA A:ASP490 4.7 26.4 1.0
CG A:PHE494 4.7 16.9 1.0
O A:HOH889 4.8 17.8 1.0
O A:ALA327 4.9 15.2 1.0
CB A:PHE494 4.9 16.2 1.0
O A:ASP490 4.9 25.1 1.0
C A:TRP492 5.0 15.6 1.0

Reference:

Y.J.Dong, T.Li, S.Q.Zhang, J.Sanchis, H.Yin, J.Ren, X.Sheng, G.Y.Li, M.T.Reetz. Biocatalytic Baeyer-Villiger Reactions: Uncovering the Source of Regioselectivity at Each Evolutionary Stage of A Mutant with Scrutiny of Fleeting Chiral Intermediates. Acs Catalysis V. 12 3669 2022.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.2C00415
Page generated: Wed Oct 9 09:17:36 2024

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