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Sodium in PDB 7v8s: Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of P1211

Enzymatic activity of Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of P1211

All present enzymatic activity of Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of P1211:
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 P1211, PDB code: 7v8s 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) 27.79 / 2.08
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 61.122, 164.034, 62.052, 90, 115.88, 90
R / Rfree (%) 17.2 / 21.8

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 P1211 (pdb code 7v8s). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 5 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 P1211, PDB code: 7v8s:
Jump to Sodium binding site number: 1; 2; 3; 4; 5;

Sodium binding site 1 out of 5 in 7v8s

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Sodium binding site 1 out of 5 in the Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of P1211


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 P1211 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na603

b:28.3
occ:1.00
 O1X A:NAP602 2.2 21.7 1.0
O A:HOH770 2.6 14.9 1.0
P2B A:NAP602 3.4 27.1 1.0
O2B A:NAP602 3.5 22.3 1.0
C3B A:NAP602 3.6 19.3 1.0
CB A:THR210 3.7 19.0 1.0
CG2 A:THR210 3.7 19.7 1.0
CE A:LYS328 3.7 23.0 1.0
C2B A:NAP602 3.8 20.4 1.0
NE2 A:GLN212 3.8 17.0 1.0
O3B A:NAP602 4.0 18.2 1.0
CD A:LYS328 4.0 22.7 1.0
O2X A:NAP602 4.1 24.3 1.0
OG1 A:THR210 4.2 19.2 1.0
O A:THR210 4.6 20.2 1.0
O A:HOH856 4.6 22.4 1.0
O3X A:NAP602 4.6 27.1 1.0
CD A:GLN212 4.7 17.2 1.0
NZ A:LYS328 4.7 23.4 1.0
O A:ASP490 4.7 26.2 1.0
CG A:GLN212 4.9 16.9 1.0

Sodium binding site 2 out of 5 in 7v8s

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Sodium binding site 2 out of 5 in the Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of P1211


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 P1211 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na604

b:42.4
occ:1.00
 OE1 A:GLU338 2.5 22.6 1.0
O A:HOH885 2.5 28.3 1.0
O A:HOH925 2.6 19.9 1.0
O A:HOH931 3.3 19.6 1.0
CD A:GLU338 3.3 23.6 1.0
OE2 A:GLU338 3.5 26.3 1.0
N A:TYR336 3.5 18.1 1.0
N A:TYR337 3.6 18.5 1.0
CD2 A:TYR337 3.7 17.5 1.0
CA A:GLY335 3.9 19.5 1.0
C A:GLY335 3.9 18.6 1.0
N A:GLY335 4.1 19.6 1.0
CB A:TYR337 4.1 18.4 1.0
CG A:TYR337 4.3 17.5 1.0
CA A:TYR336 4.4 18.5 1.0
CA A:TYR337 4.4 19.2 1.0
C A:TYR336 4.4 18.7 1.0
N A:GLU338 4.5 19.8 1.0
CD1 A:ILE310 4.5 23.9 1.0
CB A:TYR336 4.6 18.5 1.0
CE2 A:TYR337 4.7 17.9 1.0
CG A:GLU338 4.8 22.1 1.0
O A:GLY335 4.8 17.8 1.0
C A:TYR337 5.0 19.0 1.0

Sodium binding site 3 out of 5 in 7v8s

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Sodium binding site 3 out of 5 in the Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of P1211


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 P1211 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na603

b:39.6
occ:1.00
 OG1 B:THR461 2.3 28.8 1.0
OE1 B:GLU122 2.7 32.0 1.0
OG1 B:THR462 2.9 25.9 1.0
CB B:THR461 3.3 30.8 1.0
CD B:GLU122 3.4 31.0 1.0
OE2 B:GLU122 3.5 30.7 1.0
N B:THR462 3.6 26.6 1.0
CG2 B:THR462 3.6 25.8 1.0
CB B:THR462 3.7 26.1 1.0
CB B:ARG533 3.7 26.0 1.0
C B:THR461 4.0 28.7 1.0
CA B:THR461 4.1 29.7 1.0
O B:ARG533 4.2 24.9 1.0
CA B:THR462 4.2 25.9 1.0
CD B:ARG533 4.3 25.4 1.0
CG2 B:THR461 4.5 30.6 1.0
C B:ARG533 4.5 26.6 1.0
CG B:ARG533 4.7 25.7 1.0
N B:THR461 4.7 31.6 1.0
CA B:ARG533 4.8 26.5 1.0
O B:THR461 4.8 29.6 1.0
CG B:GLU122 4.8 30.6 1.0

Sodium binding site 4 out of 5 in 7v8s

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Sodium binding site 4 out of 5 in the Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of P1211


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of P1211 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na604

b:39.6
occ:1.00
 OG1 B:THR437 2.4 19.1 1.0
O B:HOH940 2.6 23.9 1.0
O B:THR435 2.8 17.4 1.0
O B:HOH865 3.0 18.9 1.0
CB B:THR437 3.3 18.9 1.0
CA B:THR437 3.5 18.6 1.0
O B:HOH863 3.5 16.9 1.0
CG2 B:THR437 3.6 18.7 1.0
O B:HOH945 3.6 25.6 1.0
O B:HOH843 3.7 27.4 1.0
O2 B:FAD601 3.7 19.7 1.0
N B:THR437 3.7 18.7 1.0
O B:HOH841 3.9 20.0 1.0
N1 B:FAD601 4.0 19.9 1.0
C B:THR435 4.0 18.3 1.0
O B:HOH896 4.1 29.3 1.0
C2 B:FAD601 4.3 19.8 1.0
C B:ASN436 4.3 19.6 1.0
N B:THR435 4.7 18.6 1.0
CD1 B:LEU145 4.7 15.5 1.0
C1' B:FAD601 4.7 19.3 1.0
C3' B:FAD601 4.8 18.0 1.0
O3' B:FAD601 4.9 17.4 1.0
CA B:ASN436 4.9 19.1 1.0
N B:ASN436 4.9 18.7 1.0
C B:THR437 4.9 18.4 1.0
O B:ASN436 5.0 19.5 1.0
CA B:THR435 5.0 18.1 1.0

Sodium binding site 5 out of 5 in 7v8s

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Sodium binding site 5 out of 5 in the Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of P1211


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of Crystal Structure of Cyclohexanone Monooxygenase From T. Municipale Mutant L437T Complexed with Nadp+ and Fad in Space Group of P1211 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na605

b:40.3
occ:1.00
 OE1 B:GLU94 2.4 26.2 1.0
O B:HOH709 2.8 26.7 1.0
CD B:GLU94 3.4 23.1 1.0
O B:HOH757 3.5 31.3 1.0
OE2 B:GLU94 3.8 23.5 1.0
CA B:ALA91 4.1 20.7 1.0
N B:ALA91 4.2 20.2 1.0
CB B:ALA91 4.3 21.2 1.0
CG B:LEU90 4.3 18.9 1.0
CD2 B:LEU90 4.4 18.2 1.0
C B:LEU90 4.7 19.4 1.0
O B:PRO87 4.7 21.0 1.0
CG B:GLU94 4.7 21.5 1.0
CB B:LEU90 4.9 18.4 1.0
O B:LEU90 5.0 19.7 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: Mon Aug 18 12:13:04 2025

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