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Fluorine in PDB 2pb1: Exo-B-(1,3)-Glucanase From Candida Albicans in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2- Fluoro-B-D-Glucopyranoside at 1.9 A

Enzymatic activity of Exo-B-(1,3)-Glucanase From Candida Albicans in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2- Fluoro-B-D-Glucopyranoside at 1.9 A

All present enzymatic activity of Exo-B-(1,3)-Glucanase From Candida Albicans in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2- Fluoro-B-D-Glucopyranoside at 1.9 A:
3.2.1.58;

Protein crystallography data

The structure of Exo-B-(1,3)-Glucanase From Candida Albicans in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2- Fluoro-B-D-Glucopyranoside at 1.9 A, PDB code: 2pb1 was solved by S.M.Cutfield, J.F.Cutfield, G.J.Davies, P.A.Sullivan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.92 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.149, 65.586, 96.966, 90.00, 90.00, 90.00
R / Rfree (%) 13.3 / 16.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Exo-B-(1,3)-Glucanase From Candida Albicans in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2- Fluoro-B-D-Glucopyranoside at 1.9 A (pdb code 2pb1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Exo-B-(1,3)-Glucanase From Candida Albicans in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2- Fluoro-B-D-Glucopyranoside at 1.9 A, PDB code: 2pb1:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 2pb1

Go back to Fluorine Binding Sites List in 2pb1
Fluorine binding site 1 out of 2 in the Exo-B-(1,3)-Glucanase From Candida Albicans in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2- Fluoro-B-D-Glucopyranoside at 1.9 A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Exo-B-(1,3)-Glucanase From Candida Albicans in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2- Fluoro-B-D-Glucopyranoside at 1.9 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:18.4
occ:1.00
 F2 A:G2F401 0.0 18.4 1.0
C2 A:G2F401 1.4 19.9 1.0
C3 A:G2F401 2.3 18.0 1.0
C1 A:G2F401 2.4 19.5 1.0
OE1 A:GLU292 2.7 23.1 1.0
O3 A:G2F401 2.7 16.9 1.0
OE2 A:GLU292 2.9 19.9 1.0
NE2 A:HIS135 3.0 18.9 1.0
CE1 A:HIS135 3.0 18.7 1.0
CD A:GLU292 3.1 20.2 1.0
ND2 A:ASN191 3.1 16.3 1.0
O5 A:G2F401 3.6 19.0 1.0
C4 A:G2F401 3.7 19.4 1.0
CG A:ASN191 3.8 18.5 1.0
OD1 A:ASN191 3.9 19.1 1.0
OE1 A:GLU192 4.1 24.1 1.0
C5 A:G2F401 4.1 20.9 1.0
CZ3 A:TRP363 4.1 17.6 1.0
CD A:GLU192 4.2 20.4 1.0
ND1 A:HIS135 4.3 17.0 1.0
CH2 A:TRP363 4.3 17.0 1.0
OD1 A:ASN146 4.3 17.8 1.0
CD2 A:HIS135 4.3 17.1 1.0
OE2 A:GLU192 4.3 19.1 1.0
O A:HOH503 4.4 31.8 1.0
CE3 A:TRP363 4.5 18.7 1.0
CG A:ASN146 4.5 18.1 1.0
CG A:GLU292 4.5 21.0 1.0
CZ2 A:TRP363 4.8 17.0 1.0
O4 A:G2F401 4.8 18.1 1.0
NH1 A:ARG92 4.8 21.9 1.0
ND2 A:ASN146 4.9 17.3 1.0
CG A:GLU192 4.9 19.4 1.0
O A:HOH403 4.9 19.4 1.0
CG A:HIS135 4.9 17.7 1.0
OH A:TYR255 5.0 22.9 0.5
CE1 A:HIS253 5.0 15.9 1.0

Fluorine binding site 2 out of 2 in 2pb1

Go back to Fluorine Binding Sites List in 2pb1
Fluorine binding site 2 out of 2 in the Exo-B-(1,3)-Glucanase From Candida Albicans in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2- Fluoro-B-D-Glucopyranoside at 1.9 A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Exo-B-(1,3)-Glucanase From Candida Albicans in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2- Fluoro-B-D-Glucopyranoside at 1.9 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:66.1
occ:1.00
 F A:NFG402 0.0 66.1 1.0
C2 A:NFG402 1.4 65.3 1.0
C1 A:NFG402 2.4 65.8 1.0
C3 A:NFG402 2.4 64.4 1.0
O1 A:NFG402 2.9 69.0 1.0
O3 A:NFG402 2.9 64.2 1.0
O A:HOH529 3.2 27.1 1.0
O12 A:NFG402 3.4 71.1 1.0
O5 A:NFG402 3.6 64.1 1.0
C4 A:NFG402 3.7 64.0 1.0
C11 A:NFG402 3.8 69.6 1.0
CE1 A:PHE144 3.9 22.1 1.0
O A:HOH568 4.0 36.9 1.0
C5 A:NFG402 4.1 64.0 1.0
N1 A:NFG402 4.1 70.9 1.0
C12 A:NFG402 4.3 70.4 1.0
CD1 A:PHE144 4.3 20.1 1.0
CZ A:PHE144 4.4 21.2 1.0
C16 A:NFG402 4.6 69.5 1.0
O A:HOH676 4.6 54.7 1.0
O4 A:NFG402 4.7 64.4 1.0
CD1 A:PHE258 5.0 22.3 1.0

Reference:

S.M.Cutfield, J.F.Cutfield, G.J.Davies, P.A.Sullivan. Exo-B-(1,3)-Glucanase From Candida Albicans in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2-Fluoro-B-D-Glucopyranoside at 1.9 A To Be Published.
Page generated: Wed Jul 31 15:29:30 2024

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