Atomistry » Chlorine » PDB 2wzd-2x8b » 2x8b
Atomistry »
  Chlorine »
    PDB 2wzd-2x8b »
      2x8b »

Chlorine in PDB 2x8b: Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II

Enzymatic activity of Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II

All present enzymatic activity of Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II:
3.1.1.7;

Protein crystallography data

The structure of Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II, PDB code: 2x8b was solved by E.Carletti, J.P.Colletier, F.Nachon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.26 / 2.95
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 151.310, 151.310, 247.240, 90.00, 90.00, 120.00
R / Rfree (%) 18.3 / 25.3

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II (pdb code 2x8b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II, PDB code: 2x8b:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 2x8b

Go back to Chlorine Binding Sites List in 2x8b
Chlorine binding site 1 out of 11 in the Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1549

b:94.9
occ:1.00
 NH1 A:ARG296 2.8 65.6 1.0
OE1 A:GLN369 3.7 0.4 1.0
CG A:PRO368 3.9 58.9 1.0
CZ A:ARG296 4.1 65.4 1.0
CG A:GLN369 4.2 0.9 1.0
CD A:GLN369 4.3 0.1 1.0
CB A:PRO368 4.3 59.7 1.0
O A:PRO368 4.7 60.0 1.0
CD A:ARG296 4.7 64.6 1.0
NE A:ARG296 4.9 64.9 1.0
NH2 A:ARG296 4.9 65.7 1.0
O A:PRO235 4.9 56.1 1.0

Chlorine binding site 2 out of 11 in 2x8b

Go back to Chlorine Binding Sites List in 2x8b
Chlorine binding site 2 out of 11 in the Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1550

b:69.2
occ:1.00
 O A:HOH2098 3.0 62.7 1.0
N A:GLY242 3.6 74.0 1.0
N A:MET241 3.8 71.0 1.0
CB A:MET241 4.3 71.8 1.0
CA A:GLY242 4.4 75.1 1.0
CA A:MET241 4.4 71.3 1.0
C A:GLY240 4.5 58.8 1.0
C A:MET241 4.5 72.3 1.0
CA A:GLY240 4.6 58.6 1.0
CG A:MET241 5.0 71.0 1.0
O A:HOH2101 5.0 57.9 1.0

Chlorine binding site 3 out of 11 in 2x8b

Go back to Chlorine Binding Sites List in 2x8b
Chlorine binding site 3 out of 11 in the Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1551

b:83.6
occ:1.00
 NH1 A:ARG16 2.9 87.1 1.0
N A:GLY58 3.4 95.9 1.0
CZ A:ARG16 4.1 88.0 1.0
CA A:SER57 4.1 95.9 1.0
CB A:SER57 4.1 98.7 1.0
CA A:GLY58 4.2 96.5 1.0
C A:SER57 4.3 96.0 1.0
NH2 A:ARG16 4.4 89.8 1.0

Chlorine binding site 4 out of 11 in 2x8b

Go back to Chlorine Binding Sites List in 2x8b
Chlorine binding site 4 out of 11 in the Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1552

b:82.7
occ:1.00
 O A:HOH2006 3.5 43.3 1.0
NH2 A:ARG136 3.6 72.9 1.0
NH1 A:ARG136 3.7 76.7 1.0
CZ A:ARG136 4.1 73.9 1.0

Chlorine binding site 5 out of 11 in 2x8b

Go back to Chlorine Binding Sites List in 2x8b
Chlorine binding site 5 out of 11 in the Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1553

b:92.4
occ:1.00
 CB A:ARG521 3.7 91.2 1.0
CD A:ARG521 3.8 93.9 1.0
N A:ARG522 4.0 84.5 1.0
O A:ARG522 4.0 82.7 1.0
CA A:ARG521 4.0 92.8 1.0
CG A:ARG521 4.4 91.7 1.0
O A:HOH2194 4.5 77.5 1.0
C A:ARG521 4.5 91.7 1.0
C A:ARG522 4.9 81.9 1.0
OH A:TYR510 4.9 70.1 1.0
CA A:ARG522 5.0 83.5 1.0

Chlorine binding site 6 out of 11 in 2x8b

Go back to Chlorine Binding Sites List in 2x8b
Chlorine binding site 6 out of 11 in the Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1554

b:75.5
occ:1.00
 NH1 A:ARG525 3.3 72.5 1.0
N A:GLN527 3.4 69.8 1.0
CB A:GLN527 3.6 72.6 1.0
C A:ARG525 3.7 70.3 1.0
N A:ALA528 3.7 67.0 1.0
O A:HOH2201 3.7 71.1 1.0
CA A:ARG525 3.7 70.3 1.0
N A:ALA526 3.8 66.7 1.0
CA A:GLN527 3.9 70.4 1.0
CG A:GLN527 4.0 74.6 1.0
O A:HOH2199 4.0 69.8 1.0
O A:ARG525 4.1 69.1 1.0
CG A:ARG525 4.3 68.6 1.0
C A:GLN527 4.3 68.5 1.0
CB A:ALA528 4.4 64.7 1.0
C A:ALA526 4.5 67.4 1.0
CZ A:ARG525 4.5 71.3 1.0
CD A:ARG525 4.6 69.7 1.0
CB A:ARG525 4.6 68.3 1.0
CA A:ALA528 4.7 65.4 1.0
CA A:ALA526 4.7 67.0 1.0
N A:ARG525 4.8 70.4 1.0

Chlorine binding site 7 out of 11 in 2x8b

Go back to Chlorine Binding Sites List in 2x8b
Chlorine binding site 7 out of 11 in the Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1560

b:0.2
occ:1.00
 NH2 A:ARG478 3.5 81.9 1.0
CZ A:ARG478 4.6 79.8 1.0

Chlorine binding site 8 out of 11 in 2x8b

Go back to Chlorine Binding Sites List in 2x8b
Chlorine binding site 8 out of 11 in the Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1561

b:0.3
occ:1.00
 NH2 B:ARG11 3.5 0.2 1.0
O B:HOH2005 3.5 52.4 1.0
O A:HOH2037 3.9 68.7 1.0
CB A:ASN89 4.1 82.1 1.0
CA A:ASN89 4.5 81.9 1.0
CZ B:ARG11 4.6 0.4 1.0
NE B:ARG11 4.9 0.5 1.0

Chlorine binding site 9 out of 11 in 2x8b

Go back to Chlorine Binding Sites List in 2x8b
Chlorine binding site 9 out of 11 in the Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1562

b:99.0
occ:1.00
 NH2 A:ARG417 3.0 62.8 1.0
CZ A:ARG417 4.2 62.6 1.0
ND2 A:ASN317 4.4 64.5 1.0
NH1 A:ARG417 4.6 63.1 1.0
CB A:ASN317 4.7 63.8 1.0
CG A:ASN317 4.7 63.9 1.0

Chlorine binding site 10 out of 11 in 2x8b

Go back to Chlorine Binding Sites List in 2x8b
Chlorine binding site 10 out of 11 in the Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Human Acetylcholinesterase Inhibited By Aged Tabun and Complexed with Fasciculin-II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1563

b:96.8
occ:1.00
 NH2 A:ARG356 3.4 72.8 1.0
O A:HOH2151 3.5 80.6 1.0
NE A:ARG356 4.1 74.8 1.0
CD1 A:LEU360 4.2 72.2 1.0
CZ A:ARG356 4.2 73.5 1.0
CH2 A:TRP385 4.5 71.5 1.0
CZ3 A:TRP385 4.8 73.4 1.0
CG1 A:VAL379 4.9 67.7 1.0
CD2 A:LEU360 4.9 69.5 1.0

Reference:

E.Carletti, J.P.Colletier, F.Dupeux, M.Trovaslet, P.Masson, F.Nachon. Structural Evidence That Human Acetylcholinesterase Inhibited By Tabun Ages Through O-Dealkylation. J. Med. Chem. V. 53 4002 2010.
ISSN: ISSN 1520-4804
PubMed: 20408548
DOI: 10.1021/JM901853B
Page generated: Fri Jul 11 01:48:47 2025

Last articles

Fe in 2IKC
Fe in 2ILM
Fe in 2IJ4
Fe in 2IJ3
Fe in 2IBZ
Fe in 2IJ2
Fe in 2IGA
Fe in 2IG9
Fe in 2IIZ
Fe in 2IG3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy