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Arsenic in PDB 5n6n: Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex

Enzymatic activity of Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex

All present enzymatic activity of Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex:
3.2.1.28;

Protein crystallography data

The structure of Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex, PDB code: 5n6n was solved by M.Alblova, A.Smidova, V.Obsilova, T.Obsil, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.16 / 2.29
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 160.805, 104.749, 105.638, 90.00, 121.89, 90.00
R / Rfree (%) 18.4 / 23.7

Other elements in 5n6n:

The structure of Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex (pdb code 5n6n). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 5 binding sites of Arsenic where determined in the Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex, PDB code: 5n6n:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5;

Arsenic binding site 1 out of 5 in 5n6n

Go back to Arsenic Binding Sites List in 5n6n
Arsenic binding site 1 out of 5 in the Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As85

b:0.3
occ:1.00
 AS A:CAS85 0.0 0.3 1.0
CE1 A:CAS85 2.0 81.3 1.0
CE2 A:CAS85 2.0 70.7 1.0
SG A:CAS85 2.2 66.6 1.0
CB A:CAS85 3.2 48.0 1.0
C A:CAS85 3.7 42.3 1.0
N A:SER86 3.9 39.6 1.0
O A:CAS85 3.9 39.6 1.0
CA A:CAS85 4.0 47.8 1.0
CA A:SER86 4.4 42.4 1.0
O A:GLU82 4.8 44.5 1.0
CB A:SER86 4.9 40.8 1.0

Arsenic binding site 2 out of 5 in 5n6n

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Arsenic binding site 2 out of 5 in the Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As194

b:53.6
occ:1.00
 AS A:CAS194 0.0 53.6 1.0
CE2 A:CAS194 2.0 43.1 1.0
CE1 A:CAS194 2.0 42.4 1.0
SG A:CAS194 2.3 49.1 1.0
CB A:CAS194 3.4 31.6 1.0
C A:CAS194 3.8 32.5 1.0
O A:CAS194 4.0 36.5 1.0
CE1 A:HIS195 4.0 42.5 1.0
N A:HIS195 4.1 32.7 1.0
ND1 A:HIS195 4.1 41.3 1.0
NE2 A:HIS195 4.1 48.1 1.0
CA A:CAS194 4.1 32.8 1.0
CD2 A:HIS195 4.3 41.6 1.0
CG A:HIS195 4.3 41.5 1.0
CA A:HIS195 4.4 35.9 1.0
CB A:LYS198 4.8 39.9 1.0
CB A:HIS195 5.0 35.0 1.0

Arsenic binding site 3 out of 5 in 5n6n

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Arsenic binding site 3 out of 5 in the Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As85

b:85.5
occ:1.00
 AS B:CAS85 0.0 85.5 1.0
CE1 B:CAS85 2.0 51.9 1.0
CE2 B:CAS85 2.0 63.1 1.0
SG B:CAS85 2.2 54.1 1.0
CB B:CAS85 3.2 44.4 1.0
C B:CAS85 4.0 43.8 1.0
N B:SER86 4.0 45.6 1.0
OE1 B:GLU82 4.1 57.1 1.0
CA B:CAS85 4.2 43.7 1.0
OE2 B:GLU82 4.2 62.7 1.0
O B:CAS85 4.4 40.4 1.0
CD B:GLU82 4.4 59.3 1.0
CA B:SER86 4.6 44.6 1.0
OG B:SER89 4.6 46.9 1.0
O B:GLU82 4.7 51.2 1.0

Arsenic binding site 4 out of 5 in 5n6n

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Arsenic binding site 4 out of 5 in the Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As194

b:0.9
occ:1.00
 AS B:CAS194 0.0 0.9 1.0
CE2 B:CAS194 2.0 82.7 1.0
CE1 B:CAS194 2.0 84.1 1.0
SG B:CAS194 2.2 87.6 1.0
CB B:CAS194 3.2 65.7 1.0
O B:PRO190 3.8 65.8 1.0
O B:TRP233 4.1 73.9 1.0
CB B:TRP233 4.4 63.1 1.0
CA B:CAS194 4.5 59.3 1.0
C B:TRP233 4.5 70.2 1.0
C B:PRO190 4.6 64.4 1.0
CG2 B:THR234 4.8 75.0 1.0
N B:CAS194 4.9 58.4 1.0
N B:THR234 4.9 72.2 1.0
CA B:THR234 4.9 75.6 1.0

Arsenic binding site 5 out of 5 in 5n6n

Go back to Arsenic Binding Sites List in 5n6n
Arsenic binding site 5 out of 5 in the Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Crystal Structure of the 14-3-3:Neutral Trehalase NTH1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:As354

b:87.4
occ:1.00
 AS C:CAS354 0.0 87.4 1.0
CE1 C:CAS354 2.0 51.7 1.0
CE2 C:CAS354 2.0 60.3 1.0
SG C:CAS354 2.3 50.5 1.0
CB C:CAS354 3.4 42.5 1.0
CA C:CAS354 3.4 40.2 1.0
O C:LEU353 3.9 41.6 1.0
N C:CAS354 4.2 33.7 1.0
O C:HOH951 4.2 36.5 1.0
N C:ALA261 4.3 42.3 1.0
C C:LEU353 4.3 38.1 1.0
CA C:ALA261 4.5 42.7 1.0
O C:ILE259 4.5 43.0 1.0
CB C:ASN417 4.6 49.7 1.0
C C:CAS354 4.6 38.8 1.0
C C:THR260 4.6 44.8 1.0
NZ C:LYS343 4.6 43.1 1.0
O C:CAS354 4.7 42.5 1.0
CB C:ALA261 4.7 43.2 1.0
O C:THR260 4.9 41.7 1.0
CG2 C:VAL264 4.9 35.1 1.0

Reference:

M.Alblova, A.Smidova, V.Docekal, J.Vesely, P.Herman, V.Obsilova, T.Obsil. Molecular Basis of the 14-3-3 Protein-Dependent Activation of Yeast Neutral Trehalase NTH1. Proc. Natl. Acad. Sci. V. 114 E9811 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29087344
DOI: 10.1073/PNAS.1714491114
Page generated: Wed Jul 10 12:54:07 2024

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