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Fluorine in PDB 4a3h: 2',4' Dinitrophenyl-2-Deoxy-2-Fluro-B-D-Cellobioside Complex of the Endoglucanase CEL5A From Bacillus Agaradhaerens at 1.6 A Resolution

Enzymatic activity of 2',4' Dinitrophenyl-2-Deoxy-2-Fluro-B-D-Cellobioside Complex of the Endoglucanase CEL5A From Bacillus Agaradhaerens at 1.6 A Resolution

All present enzymatic activity of 2',4' Dinitrophenyl-2-Deoxy-2-Fluro-B-D-Cellobioside Complex of the Endoglucanase CEL5A From Bacillus Agaradhaerens at 1.6 A Resolution:
3.2.1.4;

Protein crystallography data

The structure of 2',4' Dinitrophenyl-2-Deoxy-2-Fluro-B-D-Cellobioside Complex of the Endoglucanase CEL5A From Bacillus Agaradhaerens at 1.6 A Resolution, PDB code: 4a3h was solved by G.J.Davies, A.M.Brzozowski, K.Andersen, M.Schulein, L.Mackenzie, S.G.Withers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.710, 69.570, 77.040, 90.00, 90.00, 90.00
R / Rfree (%) 14.2 / 17.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the 2',4' Dinitrophenyl-2-Deoxy-2-Fluro-B-D-Cellobioside Complex of the Endoglucanase CEL5A From Bacillus Agaradhaerens at 1.6 A Resolution (pdb code 4a3h). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the 2',4' Dinitrophenyl-2-Deoxy-2-Fluro-B-D-Cellobioside Complex of the Endoglucanase CEL5A From Bacillus Agaradhaerens at 1.6 A Resolution, PDB code: 4a3h:

Fluorine binding site 1 out of 1 in 4a3h

Go back to Fluorine Binding Sites List in 4a3h
Fluorine binding site 1 out of 1 in the 2',4' Dinitrophenyl-2-Deoxy-2-Fluro-B-D-Cellobioside Complex of the Endoglucanase CEL5A From Bacillus Agaradhaerens at 1.6 A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 2',4' Dinitrophenyl-2-Deoxy-2-Fluro-B-D-Cellobioside Complex of the Endoglucanase CEL5A From Bacillus Agaradhaerens at 1.6 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F304

b:16.2
occ:1.00
 F2A A:DCB304 0.0 16.2 1.0
C2A A:DCB304 1.4 20.1 1.0
C1A A:DCB304 2.3 26.0 1.0
C3A A:DCB304 2.3 18.5 1.0
OE2 A:GLU228 2.7 20.3 1.0
O3A A:DCB304 3.0 14.9 1.0
ND2 A:ASN138 3.0 13.6 1.0
OE1 A:GLU228 3.1 12.7 1.0
OE1 A:GLU139 3.1 16.6 1.0
CD A:GLU139 3.2 13.8 1.0
O5A A:DCB304 3.2 24.0 1.0
OE2 A:GLU139 3.2 13.7 1.0
CD A:GLU228 3.3 19.1 1.0
O1A A:DCB304 3.3 24.7 1.0
NE2 A:HIS101 3.4 11.8 1.0
CE1 A:HIS101 3.5 11.8 1.0
C4A A:DCB304 3.6 22.1 1.0
OD1 A:ASN138 3.7 12.1 1.0
CG A:ASN138 3.8 12.7 1.0
C5A A:DCB304 3.9 23.8 1.0
CG A:GLU139 4.0 13.2 1.0
CD1 A:LEU103 4.3 17.2 1.0
C1 A:DCB304 4.5 23.8 1.0
CD2 A:HIS101 4.5 11.3 1.0
ND1 A:HIS101 4.6 11.2 1.0
CB A:GLU139 4.6 11.3 1.0
O4A A:DCB304 4.7 20.4 1.0
CG A:GLU228 4.8 12.6 1.0
CD2 A:LEU103 4.8 17.1 1.0
C2 A:DCB304 4.9 24.9 1.0
ND1 A:HIS200 4.9 12.7 1.0

Reference:

G.J.Davies, L.Mackenzie, A.Varrot, M.Dauter, A.M.Brzozowski, M.Schulein, S.G.Withers. Snapshots Along An Enzymatic Reaction Coordinate: Analysis of A Retaining Beta-Glycoside Hydrolase. Biochemistry V. 37 11707 1998.
ISSN: ISSN 0006-2960
PubMed: 9718293
DOI: 10.1021/BI981315I
Page generated: Wed Jul 31 23:55:50 2024

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