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Chlorine in PDB 2vot: Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases

Enzymatic activity of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases

All present enzymatic activity of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases:
3.2.1.25;

Protein crystallography data

The structure of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases, PDB code: 2vot was solved by L.N.Tailford, W.A.Offen, N.Smith, C.Dumon, C.Moreland, J.Gratien, M.-P.Heck, R.V.Stick, Y.Bleriot, A.Vasella, H.J.Gilbert, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.03 / 1.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 91.315, 115.289, 99.400, 90.00, 113.14, 90.00
R / Rfree (%) 16.6 / 22.1

Other elements in 2vot:

The structure of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases also contains other interesting chemical elements:

Bromine (Br) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases (pdb code 2vot). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases, PDB code: 2vot:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 2vot

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Chlorine binding site 1 out of 5 in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1893

b:31.9
occ:1.00
 NE2 B:GLN108 3.2 34.1 1.0
O B:HOH2173 3.2 22.1 1.0
CG B:GLN108 3.7 30.1 1.0
CB B:PRO140 3.9 25.1 1.0
CD B:GLN108 3.9 30.1 1.0
O B:HOH2178 4.0 47.6 1.0
N B:PRO140 4.1 24.3 1.0
CA B:PRO140 4.1 23.9 1.0
ND2 B:ASN247 4.2 35.4 1.0
CD B:PRO140 4.2 24.9 1.0
CG2 B:THR138 4.2 23.6 1.0
CG B:PRO140 4.4 26.4 1.0
C B:LEU139 4.6 22.6 1.0
O B:HOH2205 4.7 30.3 1.0
OH B:TYR218 4.7 24.2 1.0
O B:THR138 4.8 20.7 1.0
CB B:GLN108 4.9 23.8 1.0

Chlorine binding site 2 out of 5 in 2vot

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Chlorine binding site 2 out of 5 in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1894

b:33.6
occ:0.80
 O B:HOH2489 2.6 25.4 1.0
N B:GLN685 3.0 22.9 1.0
C2 B:EDO1882 3.4 55.1 1.0
CD1 B:ILE684 3.5 20.0 1.0
CE1 B:HIS774 3.6 26.4 1.0
CA B:ILE684 3.8 23.0 1.0
CB B:GLN685 3.8 24.0 1.0
O2 B:EDO1882 3.8 59.4 1.0
C B:ILE684 3.9 23.1 1.0
O B:GLN685 3.9 21.4 1.0
CA B:GLN685 3.9 23.3 1.0
CE1 B:HIS627 4.0 25.0 1.0
O B:PRO683 4.1 22.4 1.0
ND1 B:HIS774 4.2 21.2 1.0
O B:HOH2538 4.4 30.4 1.0
C B:GLN685 4.4 23.7 1.0
CG1 B:ILE684 4.6 22.4 1.0
ND1 B:HIS627 4.7 24.4 1.0
CB B:ILE684 4.7 22.2 1.0
N B:ILE684 4.7 22.0 1.0
NE2 B:HIS774 4.7 24.8 1.0
C1 B:EDO1882 4.8 54.8 1.0
O B:HOH2461 4.8 22.3 1.0
C B:PRO683 4.8 21.5 1.0

Chlorine binding site 3 out of 5 in 2vot

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Chlorine binding site 3 out of 5 in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1896

b:34.7
occ:0.50
 O B:HOH2185 2.1 26.8 0.5
O B:HOH2190 3.0 37.5 1.0
NE2 B:GLN230 3.3 19.1 1.0
CG B:GLN230 3.9 23.4 1.0
CA B:SER232 4.0 24.8 1.0
CG2 B:THR332 4.0 18.9 1.0
CD B:GLN230 4.1 23.3 1.0
O B:LEU231 4.1 27.3 1.0
O B:GLN230 4.2 21.7 1.0
N B:SER232 4.3 25.2 1.0
C B:LEU231 4.3 26.3 1.0
C B:SER232 4.3 24.3 1.0
N B:LEU233 4.3 22.9 1.0
O B:HOH2594 4.5 21.9 1.0
O2 B:EDO1875 4.6 32.4 1.0
C B:GLN230 4.6 23.4 1.0
CB B:GLN230 4.7 22.5 1.0
CB B:LEU233 4.8 22.2 1.0

Chlorine binding site 4 out of 5 in 2vot

Go back to Chlorine Binding Sites List in 2vot
Chlorine binding site 4 out of 5 in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1899

b:30.0
occ:0.50
 CE B:MET298 1.7 13.9 0.5
SD B:MET298 2.8 34.7 0.5
ND2 B:ASN351 3.2 17.0 1.0
SD B:MET298 3.4 20.2 0.5
CE3 B:TRP302 3.6 20.1 1.0
CB B:MET298 3.7 18.5 0.5
CD B:PRO299 3.8 17.7 1.0
CB B:ASN351 3.9 17.8 1.0
CG B:MET298 3.9 23.8 0.5
CG B:ASN351 4.1 16.8 1.0
CA B:MET298 4.1 17.8 0.5
CB B:TRP302 4.3 20.6 1.0
CZ3 B:TRP302 4.3 21.4 1.0
O B:VAL350 4.3 18.8 1.0
CA B:MET298 4.3 17.2 0.5
CE B:MET298 4.4 27.8 0.5
CG B:MET298 4.4 19.7 0.5
CB B:MET298 4.4 16.9 0.5
CD2 B:TRP302 4.5 19.2 1.0
CG B:PRO299 4.7 18.2 1.0
CG1 B:VAL350 4.7 18.4 1.0
CG B:TRP302 4.8 21.8 1.0
O B:TRP302 4.8 26.4 1.0
CD1 B:LEU699 4.8 25.9 1.0
CD1 B:ILE353 4.8 28.1 1.0
N B:PRO299 4.8 17.6 1.0
O B:TRP297 4.9 15.4 1.0
C B:VAL350 4.9 18.7 1.0

Chlorine binding site 5 out of 5 in 2vot

Go back to Chlorine Binding Sites List in 2vot
Chlorine binding site 5 out of 5 in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1903

b:48.6
occ:0.70
 O B:HOH2596 3.1 42.9 1.0
O B:HOH2349 3.2 28.9 1.0
O B:HOH2323 3.7 27.0 1.0
O B:ARG447 3.8 16.2 1.0
CE1 B:HIS326 4.0 20.5 1.0
O B:HOH2264 4.5 42.4 1.0
O B:HOH2140 4.5 27.0 0.5
O B:HOH2348 4.5 17.2 0.5
O B:HOH2325 4.5 25.2 1.0
CG B:ARG447 4.6 15.8 1.0
O B:HOH2353 4.6 24.5 1.0
OD1 B:ASN403 4.6 14.7 1.0
ND2 B:ASN403 4.6 20.2 1.0
ND1 B:HIS326 4.6 18.5 1.0
C B:ARG447 4.7 15.3 1.0
O1 B:EDO1888 4.7 27.8 1.0
CA B:ARG447 4.7 16.1 1.0
O B:HOH2181 4.7 28.9 1.0
CG B:ASN403 4.8 18.4 1.0

Reference:

L.E.Tailford, W.A.Offen, N.L.Smith, C.Dumon, C.Morland, J.Gratien, M.P.Heck, R.V.Stick, Y.Bleriot, A.Vasella, H.J.Gilbert, G.J.Davies. Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases. Nat.Chem.Biol. V. 4 306 2008.
ISSN: ISSN 1552-4450
PubMed: 18408714
DOI: 10.1038/NCHEMBIO.81
Page generated: Sat Jul 20 12:05:30 2024

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