Atomistry » Fluorine » PDB 1h2j-1j97 » 1h2j
Atomistry »
  Fluorine »
    PDB 1h2j-1j97 »
      1h2j »

Fluorine in PDB 1h2j: Endoglucanase CEL5A in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2-Fluoro-Cellobioside at 1.15 A Resolution

Enzymatic activity of Endoglucanase CEL5A in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2-Fluoro-Cellobioside at 1.15 A Resolution

All present enzymatic activity of Endoglucanase CEL5A in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2-Fluoro-Cellobioside at 1.15 A Resolution:
3.2.1.4;

Protein crystallography data

The structure of Endoglucanase CEL5A in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2-Fluoro-Cellobioside at 1.15 A Resolution, PDB code: 1h2j 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) 40.00 / 1.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.355, 69.572, 77.091, 90.00, 90.00, 90.00
R / Rfree (%) 11.7 / 13.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Endoglucanase CEL5A in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2-Fluoro-Cellobioside at 1.15 A Resolution (pdb code 1h2j). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Endoglucanase CEL5A in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2-Fluoro-Cellobioside at 1.15 A Resolution, PDB code: 1h2j:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 1h2j

Go back to Fluorine Binding Sites List in 1h2j
Fluorine binding site 1 out of 2 in the Endoglucanase CEL5A in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2-Fluoro-Cellobioside at 1.15 A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Endoglucanase CEL5A in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2-Fluoro-Cellobioside at 1.15 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1304

b:10.2
occ:0.65
F2A A:DCB1304 0.0 10.2 0.7
F2A A:DCB1304 0.6 8.8 0.3
C2A A:DCB1304 1.2 8.4 0.3
C2A A:DCB1304 1.4 12.2 0.7
C1A A:DCB1304 2.2 7.1 0.3
C3A A:DCB1304 2.4 10.6 0.7
C1A A:DCB1304 2.4 13.0 0.7
C3A A:DCB1304 2.4 8.8 0.3
OE2 A:GLU228 2.7 12.1 0.7
OE1 A:GLU228 2.7 9.3 0.2
O3A A:DCB1304 2.8 8.4 0.3
OE2 A:GLU228 2.9 7.4 0.2
ND2 A:ASN138 2.9 8.5 1.0
O3A A:DCB1304 2.9 9.3 0.7
OE2 A:GLU228 3.0 6.9 0.1
OE1 A:GLU139 3.1 12.5 1.0
OE1 A:GLU228 3.2 9.7 0.7
CD A:GLU228 3.2 7.8 0.2
O5A A:DCB1304 3.3 11.4 0.7
CD A:GLU139 3.3 10.8 1.0
CD A:GLU228 3.3 9.8 0.7
O5A A:DCB1304 3.4 9.9 0.3
NE2 A:HIS101 3.4 8.2 1.0
OE2 A:GLU139 3.5 11.6 1.0
O1A A:DCB1304 3.5 15.2 0.7
CE1 A:HIS101 3.5 8.0 1.0
C4A A:DCB1304 3.6 10.8 0.3
C4A A:DCB1304 3.6 10.8 0.7
OD1 A:ASN138 3.7 7.7 1.0
CG A:ASN138 3.7 7.2 1.0
CD A:GLU228 3.8 6.0 0.1
C5A A:DCB1304 3.9 11.0 0.7
CG A:GLU139 4.0 8.9 1.0
C5A A:DCB1304 4.0 11.1 0.3
CD1 A:LEU103 4.2 12.6 1.0
OE1 A:GLU228 4.3 5.1 0.1
OH A:TYR202 4.4 13.7 0.7
O A:HOH2368 4.5 12.5 0.3
CD2 A:HIS101 4.5 7.6 1.0
CB A:GLU139 4.5 9.0 1.0
C1 A:DCB1304 4.5 14.4 0.7
ND1 A:HIS101 4.6 7.7 1.0
CG A:GLU228 4.7 7.6 0.2
O4A A:DCB1304 4.7 11.0 0.7
CD2 A:LEU103 4.7 11.8 1.0
O4A A:DCB1304 4.8 11.7 0.3
CG A:GLU228 4.8 7.1 0.1
CG A:GLU228 4.8 9.1 0.7
C2 A:DCB1304 4.9 14.8 0.7
CG A:LEU103 4.9 10.6 1.0
OH A:TYR202 5.0 13.5 0.3

Fluorine binding site 2 out of 2 in 1h2j

Go back to Fluorine Binding Sites List in 1h2j
Fluorine binding site 2 out of 2 in the Endoglucanase CEL5A in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2-Fluoro-Cellobioside at 1.15 A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Endoglucanase CEL5A in Complex with Unhydrolysed and Covalently Linked 2,4-Dinitrophenyl-2-Deoxy-2-Fluoro-Cellobioside at 1.15 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1304

b:8.8
occ:0.35
F2A A:DCB1304 0.0 8.8 0.3
F2A A:DCB1304 0.6 10.2 0.7
C2A A:DCB1304 1.4 8.4 0.3
C2A A:DCB1304 1.8 12.2 0.7
C3A A:DCB1304 2.3 10.6 0.7
C3A A:DCB1304 2.3 8.8 0.3
C1A A:DCB1304 2.4 7.1 0.3
OE2 A:GLU228 2.6 12.1 0.7
OE1 A:GLU228 2.6 9.3 0.2
OE1 A:GLU228 2.7 9.7 0.7
OE2 A:GLU228 2.7 7.4 0.2
O3A A:DCB1304 2.7 8.4 0.3
O3A A:DCB1304 2.8 9.3 0.7
OE2 A:GLU228 2.8 6.9 0.1
C1A A:DCB1304 2.9 13.0 0.7
ND2 A:ASN138 2.9 8.5 1.0
CE1 A:HIS101 3.0 8.0 1.0
CD A:GLU228 3.0 9.8 0.7
NE2 A:HIS101 3.0 8.2 1.0
CD A:GLU228 3.0 7.8 0.2
OD1 A:ASN138 3.5 7.7 1.0
O5A A:DCB1304 3.5 11.4 0.7
O5A A:DCB1304 3.6 9.9 0.3
CG A:ASN138 3.6 7.2 1.0
C4A A:DCB1304 3.7 10.8 0.3
C4A A:DCB1304 3.7 10.8 0.7
CD A:GLU228 3.7 6.0 0.1
CD A:GLU139 3.7 10.8 1.0
OE1 A:GLU139 3.7 12.5 1.0
OE2 A:GLU139 3.9 11.6 1.0
O1A A:DCB1304 4.0 15.2 0.7
C5A A:DCB1304 4.0 11.0 0.7
C5A A:DCB1304 4.1 11.1 0.3
ND1 A:HIS101 4.1 7.7 1.0
CD2 A:HIS101 4.2 7.6 1.0
CG A:GLU139 4.3 8.9 1.0
OE1 A:GLU228 4.3 5.1 0.1
CG A:GLU228 4.4 7.6 0.2
CG A:GLU228 4.5 9.1 0.7
CG A:GLU228 4.5 7.1 0.1
OH A:TYR202 4.6 13.7 0.7
CZ3 A:TRP262 4.7 8.5 1.0
O4A A:DCB1304 4.7 11.0 0.7
CD1 A:LEU103 4.7 12.6 1.0
O4A A:DCB1304 4.7 11.7 0.3
CH2 A:TRP262 4.7 9.1 1.0
CG A:HIS101 4.8 7.7 1.0
CE3 A:TRP262 4.9 7.7 1.0
OH A:TYR202 4.9 13.5 0.3
CB A:GLU139 5.0 9.0 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: Wed Jul 31 11:30:37 2024

Last articles

As in 1TR7
As in 1TA4
As in 1SNG
As in 1SK0
As in 1SJZ
As in 1SK1
As in 1S6C
As in 1RA7
As in 1SIJ
As in 1RA6
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy