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Fluorine in PDB 1h11: 2-Deoxy-2-Fluro-B-D-Cellotriosyl/Enzyme Intermediate Complex of the Endoglucanase CEL5A From Bacillus Agaradhearans at 1.08 Angstrom Resolution

Enzymatic activity of 2-Deoxy-2-Fluro-B-D-Cellotriosyl/Enzyme Intermediate Complex of the Endoglucanase CEL5A From Bacillus Agaradhearans at 1.08 Angstrom Resolution

All present enzymatic activity of 2-Deoxy-2-Fluro-B-D-Cellotriosyl/Enzyme Intermediate Complex of the Endoglucanase CEL5A From Bacillus Agaradhearans at 1.08 Angstrom Resolution:
3.2.1.4;

Protein crystallography data

The structure of 2-Deoxy-2-Fluro-B-D-Cellotriosyl/Enzyme Intermediate Complex of the Endoglucanase CEL5A From Bacillus Agaradhearans at 1.08 Angstrom Resolution, PDB code: 1h11 was solved by A.Varrot, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.08
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.447, 69.880, 77.322, 90.00, 90.00, 90.00
R / Rfree (%) 10.8 / 12.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the 2-Deoxy-2-Fluro-B-D-Cellotriosyl/Enzyme Intermediate Complex of the Endoglucanase CEL5A From Bacillus Agaradhearans at 1.08 Angstrom Resolution (pdb code 1h11). 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-Deoxy-2-Fluro-B-D-Cellotriosyl/Enzyme Intermediate Complex of the Endoglucanase CEL5A From Bacillus Agaradhearans at 1.08 Angstrom Resolution, PDB code: 1h11:

Fluorine binding site 1 out of 1 in 1h11

Go back to Fluorine Binding Sites List in 1h11
Fluorine binding site 1 out of 1 in the 2-Deoxy-2-Fluro-B-D-Cellotriosyl/Enzyme Intermediate Complex of the Endoglucanase CEL5A From Bacillus Agaradhearans at 1.08 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 2-Deoxy-2-Fluro-B-D-Cellotriosyl/Enzyme Intermediate Complex of the Endoglucanase CEL5A From Bacillus Agaradhearans at 1.08 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F500

b:8.8
occ:1.00
 F2A A:FCT500 0.0 8.8 1.0
C2A A:FCT500 1.4 8.1 1.0
C1A A:FCT500 2.3 7.8 1.0
C3A A:FCT500 2.4 8.1 1.0
OE1 A:GLU228 2.7 8.8 0.3
OE2 A:GLU228 2.7 8.5 0.7
OE2 A:GLU228 2.7 6.1 0.3
O A:HOH2394 2.8 12.9 0.7
O3A A:FCT500 2.8 8.4 1.0
ND2 A:ASN138 2.9 8.0 1.0
CD A:GLU228 3.0 7.9 0.3
NE2 A:HIS101 3.2 8.2 1.0
CE1 A:HIS101 3.2 7.6 1.0
OE1 A:GLU139 3.5 10.1 1.0
OD1 A:ASN138 3.5 7.8 1.0
CD A:GLU139 3.5 8.7 1.0
O5A A:FCT500 3.6 8.1 1.0
CG A:ASN138 3.6 7.5 1.0
CD A:GLU228 3.7 7.5 0.7
C4A A:FCT500 3.7 7.5 1.0
OE2 A:GLU139 3.7 8.9 1.0
C5A A:FCT500 4.1 8.2 1.0
CG A:GLU139 4.2 8.1 1.0
OE1 A:GLU228 4.3 8.5 0.7
ND1 A:HIS101 4.3 7.8 1.0
CD2 A:HIS101 4.3 7.8 1.0
CD1 A:LEU103 4.4 13.0 1.0
CG A:GLU228 4.4 6.9 0.3
CG A:GLU228 4.5 8.2 0.7
O A:HOH2280 4.7 12.4 1.0
O4A A:FCT500 4.8 8.0 1.0
CB A:GLU139 4.8 8.4 1.0
CZ3 A:TRP262 4.8 8.3 1.0
CG A:HIS101 4.9 7.9 1.0
CH2 A:TRP262 4.9 8.0 1.0
ND1 A:HIS200 5.0 7.9 1.0
CD2 A:LEU103 5.0 10.5 1.0

Reference:

A.Varrot, G.J.Davies. Direct Experimental Observation of the Hydrogen-Bonding Network of A Glycosidase Along Its Reaction Coordinate Revealed By Atomic Resolution Analyses of Endoglucanase CEL5A Acta Crystallogr.,Sect.D V. 59 447 2003.
ISSN: ISSN 0907-4449
PubMed: 12595701
DOI: 10.1107/S0907444902023405
Page generated: Sun Dec 13 11:29:54 2020

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