Atomistry » Fluorine » PDB 4bkz-4c62 » 4c4d
Atomistry »
  Fluorine »
    PDB 4bkz-4c62 »
      4c4d »

Fluorine in PDB 4c4d: Covalent Glycosyl-Enzyme Intermediate of Hypocrea Jecorina CEL7A E217Q Mutant Trapped Using Dnp-2-Deoxy-2-Fluoro-Cellotrioside

Enzymatic activity of Covalent Glycosyl-Enzyme Intermediate of Hypocrea Jecorina CEL7A E217Q Mutant Trapped Using Dnp-2-Deoxy-2-Fluoro-Cellotrioside

All present enzymatic activity of Covalent Glycosyl-Enzyme Intermediate of Hypocrea Jecorina CEL7A E217Q Mutant Trapped Using Dnp-2-Deoxy-2-Fluoro-Cellotrioside:
3.2.1.91;

Protein crystallography data

The structure of Covalent Glycosyl-Enzyme Intermediate of Hypocrea Jecorina CEL7A E217Q Mutant Trapped Using Dnp-2-Deoxy-2-Fluoro-Cellotrioside, PDB code: 4c4d was solved by M.Haddad-Momeni, L.Mackenzie, M.Sandgren, S.G.Withers, J.Stahlberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 66.57 / 1.32
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 82.930, 83.290, 110.760, 90.00, 90.00, 90.00
R / Rfree (%) 16.675 / 18.673

Other elements in 4c4d:

The structure of Covalent Glycosyl-Enzyme Intermediate of Hypocrea Jecorina CEL7A E217Q Mutant Trapped Using Dnp-2-Deoxy-2-Fluoro-Cellotrioside also contains other interesting chemical elements:

Cobalt (Co) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Covalent Glycosyl-Enzyme Intermediate of Hypocrea Jecorina CEL7A E217Q Mutant Trapped Using Dnp-2-Deoxy-2-Fluoro-Cellotrioside (pdb code 4c4d). 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 Covalent Glycosyl-Enzyme Intermediate of Hypocrea Jecorina CEL7A E217Q Mutant Trapped Using Dnp-2-Deoxy-2-Fluoro-Cellotrioside, PDB code: 4c4d:

Fluorine binding site 1 out of 1 in 4c4d

Go back to Fluorine Binding Sites List in 4c4d
Fluorine binding site 1 out of 1 in the Covalent Glycosyl-Enzyme Intermediate of Hypocrea Jecorina CEL7A E217Q Mutant Trapped Using Dnp-2-Deoxy-2-Fluoro-Cellotrioside


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Covalent Glycosyl-Enzyme Intermediate of Hypocrea Jecorina CEL7A E217Q Mutant Trapped Using Dnp-2-Deoxy-2-Fluoro-Cellotrioside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F454

b:9.1
occ:0.75
 F2 A:G2F454 0.0 9.1 0.8
O A:HOH2332 1.2 3.9 0.2
C2 A:G2F454 1.4 8.8 0.8
C3 A:G2F454 2.3 8.8 0.8
C1 A:G2F454 2.3 8.6 0.8
OE1 A:GLU212 2.5 7.2 0.5
OE1 A:GLU212 2.7 7.2 0.5
O3 A:G2F454 2.8 8.7 0.8
OE2 A:GLU212 2.8 7.4 0.5
CD A:GLU212 3.1 7.1 0.5
OE2 A:GLU212 3.1 7.2 0.5
OG A:SER174 3.1 8.5 0.8
CD A:GLU212 3.2 7.0 0.5
NE2 A:GLN175 3.2 8.5 1.0
CG A:GLN175 3.3 8.3 1.0
O5 A:G2F454 3.6 8.6 0.8
C4 A:G2F454 3.7 8.7 0.8
CD A:GLN175 3.8 8.5 1.0
OD1 A:ASP173 3.8 6.7 1.0
CG A:ASP173 3.8 6.8 1.0
N A:GLN175 4.0 7.9 1.0
O3 A:BGC453 4.0 10.5 1.0
OD2 A:ASP173 4.0 7.3 1.0
N A:SER174 4.1 7.3 1.0
O A:HOH2616 4.1 11.9 1.0
C5 A:G2F454 4.1 8.5 0.8
CB A:ASP173 4.2 6.8 1.0
CB A:SER174 4.3 8.1 0.8
O4 A:BGC453 4.4 9.4 1.0
CB A:GLN175 4.4 8.0 1.0
O A:HOH2617 4.4 11.7 0.2
CA A:SER174 4.5 7.8 0.8
CG A:GLU212 4.5 6.9 0.5
C A:SER174 4.5 7.8 1.0
C4 A:BGC453 4.5 9.9 1.0
CA A:SER174 4.5 7.6 0.2
CB A:SER174 4.6 7.6 0.2
CG A:GLU212 4.6 6.9 0.5
CE1 A:HIS228 4.6 7.6 1.0
O4 A:G2F454 4.6 9.0 0.8
CA A:GLN175 4.7 8.0 1.0
NE2 A:HIS228 4.7 7.7 1.0
OD2 A:ASP214 4.8 8.1 0.5
C3 A:BGC453 4.9 10.0 1.0
C A:ASP173 4.9 7.0 1.0
OE1 A:GLN175 5.0 8.8 1.0

Reference:

B.C.Knott, M.Haddad Momeni, M.F.Crowley, L.F.Mackenzie, A.W.Gotz, M.Sandgren, S.G.Withers, J.Stahlberg, G.T.Beckham. The Mechanism of Cellulose Hydrolysis By A Two-Step, Retaining Cellobiohydrolase Elucidated By Structural and Transition Path Sampling Studies. J.Am.Chem.Soc. V. 136 321 2014.
ISSN: ISSN 0002-7863
PubMed: 24341799
DOI: 10.1021/JA410291U
Page generated: Thu Aug 1 00:29:53 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy