Chlorine in PDB 2xz5: Mmts-Modified Y53C Mutant of Aplysia Achbp in Complex with Acetylcholine

The structure of Mmts-Modified Y53C Mutant of Aplysia Achbp in Complex with Acetylcholine, PDB code: 2xz5 was solved by M.Brams, E.A.Gay, J.Colon Saez, A.Guskov, R.Van Elk, R.C.Van Der Schors, S.Peigneur, J.Tytgat, S.V.Strelkov, A.B.Smit, J.L.Yakel, C.Ulens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.59 / 2.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.123, 119.405, 267.744, 90.00, 90.00, 90.00
R / Rfree (%)	17.29 / 21.91

The binding sites of Chlorine atom in the Mmts-Modified Y53C Mutant of Aplysia Achbp in Complex with Acetylcholine (pdb code 2xz5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Mmts-Modified Y53C Mutant of Aplysia Achbp in Complex with Acetylcholine, PDB code: 2xz5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Mmts-Modified Y53C Mutant of Aplysia Achbp in Complex with Acetylcholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mmts-Modified Y53C Mutant of Aplysia Achbp in Complex with Acetylcholine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1212 b:55.3 occ:1.00 OH A:TYR147 3.3 36.1 1.0 NE1 A:TRP84 3.8 33.7 1.0 CD1 A:TRP84 4.2 35.3 1.0 CZ A:TYR147 4.4 36.8 1.0 O A:PRO19 4.5 36.3 1.0 CE2 A:TYR147 4.6 29.2 1.0 O B:ARG77 4.8 37.5 1.0 C A:PRO19 5.0 37.1 1.0

Chlorine binding site 2 out of 5 in the Mmts-Modified Y53C Mutant of Aplysia Achbp in Complex with Acetylcholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mmts-Modified Y53C Mutant of Aplysia Achbp in Complex with Acetylcholine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1212 b:62.0 occ:1.00 O B:HOH2022 3.3 46.2 1.0 OH B:TYR147 3.4 46.2 1.0 NE1 B:TRP84 3.9 31.2 1.0 CD1 B:TRP84 4.2 32.1 1.0 O B:PRO19 4.5 40.0 1.0 CZ B:TYR147 4.6 42.2 1.0 O E:ARG77 4.7 39.3 1.0 CE2 B:TYR147 4.8 39.4 1.0 C B:PRO19 4.9 40.8 1.0 CA B:GLY20 5.0 36.5 1.0

Chlorine binding site 3 out of 5 in the Mmts-Modified Y53C Mutant of Aplysia Achbp in Complex with Acetylcholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mmts-Modified Y53C Mutant of Aplysia Achbp in Complex with Acetylcholine within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl1212 b:64.4 occ:1.00 OH E:TYR147 3.4 46.1 1.0 NE1 E:TRP84 3.5 38.1 1.0 CD1 E:TRP84 3.9 38.5 1.0 O E:PRO19 4.3 57.4 1.0 CZ E:TYR147 4.5 43.7 1.0 CA E:GLY20 4.8 46.5 1.0 CE2 E:TYR147 4.8 35.7 1.0 C E:PRO19 4.8 57.1 1.0 CE2 E:TRP84 4.8 39.3 1.0 O D:ARG77 4.9 45.9 1.0 N E:GLY20 4.9 48.5 1.0

Chlorine binding site 4 out of 5 in the Mmts-Modified Y53C Mutant of Aplysia Achbp in Complex with Acetylcholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mmts-Modified Y53C Mutant of Aplysia Achbp in Complex with Acetylcholine within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1215 b:59.9 occ:1.00 OH C:TYR147 3.3 42.0 1.0 NE1 C:TRP84 4.1 35.9 1.0 O C:PRO19 4.3 47.4 1.0 O A:ARG77 4.4 40.7 1.0 CZ C:TYR147 4.5 45.8 1.0 CD1 C:TRP84 4.5 37.0 1.0 CE2 C:TYR147 4.8 39.4 1.0 C A:ARG77 4.9 39.4 1.0 CA A:THR78 4.9 37.6 1.0 C C:PRO19 4.9 48.6 1.0 CG2 A:ILE104 4.9 35.5 1.0

Chlorine binding site 5 out of 5 in the Mmts-Modified Y53C Mutant of Aplysia Achbp in Complex with Acetylcholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Mmts-Modified Y53C Mutant of Aplysia Achbp in Complex with Acetylcholine within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1218 b:64.8 occ:1.00 OH D:TYR147 3.1 46.5 1.0 NE1 D:TRP84 4.1 36.6 1.0 O D:PRO19 4.2 40.5 1.0 O C:ARG77 4.2 50.1 1.0 CZ D:TYR147 4.3 49.4 1.0 CD1 D:TRP84 4.5 38.2 1.0 CE2 D:TYR147 4.6 43.0 1.0 C C:ARG77 4.7 49.6 1.0 C D:PRO19 4.8 40.3 1.0 CA D:GLY20 4.9 31.8 1.0 CA C:THR78 4.9 44.6 1.0 CB C:ARG77 4.9 39.8 1.0 O D:HOH2002 4.9 29.8 1.0 O D:HOH2003 4.9 37.9 1.0

M.Brams, E.A.Gay, J.Colon Saez, A.Guskov, R.Van Elk, R.C.Van Der Schors, S.Peigneur, J.Tytgat, S.V.Strelkov, A.B.Smit, J.L.Yakel, C.Ulens. Crystal Structures of A Cysteine-Modified Mutant in Loop D of Acetylcholine Binding Protein J.Biol.Chem. V. 286 4420 2011.
ISSN: ISSN 0021-9258
PubMed: 21115477
DOI: 10.1074/JBC.M110.188730