Atomistry » Chlorine » PDB 4aqi-4azo » 4ax6
Atomistry »
  Chlorine »
    PDB 4aqi-4azo »
      4ax6 »

Chlorine in PDB 4ax6: Hypocrea Jecorina CEL6A D221A Mutant Soaked with 6-Chloro-4-Phenylumbelliferyl-Beta-Cellobioside

Enzymatic activity of Hypocrea Jecorina CEL6A D221A Mutant Soaked with 6-Chloro-4-Phenylumbelliferyl-Beta-Cellobioside

All present enzymatic activity of Hypocrea Jecorina CEL6A D221A Mutant Soaked with 6-Chloro-4-Phenylumbelliferyl-Beta-Cellobioside:
3.2.1.91;

Protein crystallography data

The structure of Hypocrea Jecorina CEL6A D221A Mutant Soaked with 6-Chloro-4-Phenylumbelliferyl-Beta-Cellobioside, PDB code: 4ax6 was solved by M.Wu, W.Nerinckx, K.Piens, T.Ishida, H.Hansson, J.Stahlberg, M.Sandgren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.17 / 2.30
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 49.540, 52.960, 66.540, 77.33, 78.60, 75.66
R / Rfree (%) 20.388 / 25.448

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hypocrea Jecorina CEL6A D221A Mutant Soaked with 6-Chloro-4-Phenylumbelliferyl-Beta-Cellobioside (pdb code 4ax6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Hypocrea Jecorina CEL6A D221A Mutant Soaked with 6-Chloro-4-Phenylumbelliferyl-Beta-Cellobioside, PDB code: 4ax6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4ax6

Go back to Chlorine Binding Sites List in 4ax6
Chlorine binding site 1 out of 2 in the Hypocrea Jecorina CEL6A D221A Mutant Soaked with 6-Chloro-4-Phenylumbelliferyl-Beta-Cellobioside


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hypocrea Jecorina CEL6A D221A Mutant Soaked with 6-Chloro-4-Phenylumbelliferyl-Beta-Cellobioside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl600

b:13.2
occ:1.00
CL A:UWU600 0.0 13.2 1.0
C6 A:UWU600 1.7 12.7 1.0
C5 A:UWU600 2.7 12.6 1.0
C7 A:UWU600 2.7 12.5 1.0
O7 A:UWU600 3.0 12.2 1.0
O A:HOH2184 3.1 10.6 1.0
OD1 A:ASN305 3.4 8.8 1.0
O A:VAL303 3.4 8.6 1.0
O A:ALA304 3.6 8.7 1.0
O A:HOH2182 3.6 9.7 1.0
O A:HOH2183 3.7 11.2 1.0
C A:ALA304 3.9 8.7 1.0
C4A A:UWU600 4.0 12.6 1.0
C8 A:UWU600 4.0 12.5 1.0
CB A:ASN305 4.1 8.7 1.0
O A:HOH2132 4.1 10.6 1.0
CG A:ASN305 4.2 8.7 1.0
C1 A:BGC601 4.2 11.9 1.0
N A:ASN305 4.2 8.7 1.0
CB A:ALA304 4.4 8.7 1.0
CA A:ASN305 4.4 8.7 1.0
C8A A:UWU600 4.5 12.6 1.0
C A:VAL303 4.6 8.6 1.0
C2 A:BGC601 4.6 11.7 1.0
O2 A:BGC601 4.6 11.7 1.0
CA A:ALA304 4.6 8.7 1.0
CD2 A:HIS266 4.6 9.5 1.0
NE2 A:HIS266 4.8 9.5 1.0
CB A:TRP367 4.8 10.8 1.0

Chlorine binding site 2 out of 2 in 4ax6

Go back to Chlorine Binding Sites List in 4ax6
Chlorine binding site 2 out of 2 in the Hypocrea Jecorina CEL6A D221A Mutant Soaked with 6-Chloro-4-Phenylumbelliferyl-Beta-Cellobioside


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hypocrea Jecorina CEL6A D221A Mutant Soaked with 6-Chloro-4-Phenylumbelliferyl-Beta-Cellobioside within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl600

b:16.4
occ:1.00
CL B:UWU600 0.0 16.4 1.0
C6 B:UWU600 1.7 16.0 1.0
C5 B:UWU600 2.7 15.9 1.0
C7 B:UWU600 2.7 15.9 1.0
O7 B:UWU600 3.0 15.9 1.0
O B:HOH2164 3.2 13.8 1.0
O B:VAL303 3.6 10.9 1.0
O B:ALA304 3.7 11.1 1.0
OD1 B:ASN305 3.7 11.6 1.0
O B:HOH2165 3.8 11.7 1.0
C B:ALA304 4.0 11.2 1.0
C4A B:UWU600 4.0 15.9 1.0
C8 B:UWU600 4.0 15.9 1.0
CB B:ASN305 4.2 11.5 1.0
C1 B:BGC601 4.2 15.8 1.0
N B:ASN305 4.3 11.3 1.0
CG B:ASN305 4.4 11.5 1.0
CB B:ALA304 4.4 11.2 1.0
O2 B:BGC601 4.4 15.8 1.0
CD2 B:HIS266 4.5 12.4 1.0
C2 B:BGC601 4.5 15.7 1.0
O B:HOH2120 4.5 11.9 1.0
C8A B:UWU600 4.5 15.9 1.0
CA B:ASN305 4.5 11.4 1.0
NE2 B:HIS266 4.5 12.4 1.0
C B:VAL303 4.7 10.9 1.0
CA B:ALA304 4.7 11.1 1.0
CB B:TRP367 4.7 13.9 1.0
CZ3 B:TRP269 4.8 12.6 1.0
C16 B:UWU600 4.9 15.8 1.0

Reference:

M.Wu, W.Nerinckx, K.Piens, T.Ishida, H.Hansson, M.Sandgren, J.Stahlberg. Rational Design, Synthesis, Evaluation and Enzyme-Substrate Structures of Improved Fluorogenic Substrates For Family 6 Glycoside Hydrolases. Febs J. V. 280 184 2013.
ISSN: ISSN 1742-464X
PubMed: 23137336
DOI: 10.1111/FEBS.12060
Page generated: Fri Jul 11 13:03:19 2025

Last articles

Mg in 1BDN
Mg in 1BH2
Mg in 1BG2
Mg in 1BG0
Mg in 1BFD
Mg in 1BA1
Mg in 1B8C
Mg in 1B8J
Mg in 1B8O
Mg in 1BA0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy