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Chlorine in PDB 2byq: Crystal Structure of Aplysia Californica Achbp in Complex with Epibatidine

Protein crystallography data

The structure of Crystal Structure of Aplysia Californica Achbp in Complex with Epibatidine, PDB code: 2byq was solved by S.B.Hansen, G.Sulzenbacher, T.Huxford, P.Marchot, P.Taylor, Y.Bourne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 3.40
Space group I 2 3 1
Cell size a, b, c (Å), α, β, γ (°) 200.925, 200.925, 200.925, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 25.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Aplysia Californica Achbp in Complex with Epibatidine (pdb code 2byq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Aplysia Californica Achbp in Complex with Epibatidine, PDB code: 2byq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 2byq

Go back to Chlorine Binding Sites List in 2byq
Chlorine binding site 1 out of 5 in the Crystal Structure of Aplysia Californica Achbp in Complex with Epibatidine


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 Aplysia Californica Achbp in Complex with Epibatidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl300

b:45.5
occ:1.00
 CL A:EPJ300 0.0 45.5 1.0
C10 A:EPJ300 1.8 45.2 1.0
N2 A:EPJ300 2.7 45.9 1.0
C9 A:EPJ300 2.7 44.4 1.0
CG1 A:VAL148 3.5 44.7 1.0
O E:MET116 3.6 36.3 1.0
O E:ILE106 3.7 36.5 1.0
N E:VAL108 3.8 39.4 1.0
CA E:ALA107 3.9 37.7 1.0
CG2 E:VAL108 4.0 42.3 1.0
C11 A:EPJ300 4.0 46.1 1.0
C E:ALA107 4.0 39.5 1.0
C8 A:EPJ300 4.0 45.0 1.0
CB E:VAL108 4.3 41.7 1.0
CA E:PHE117 4.3 32.7 1.0
C E:MET116 4.3 35.3 1.0
N E:ILE118 4.4 31.6 1.0
C E:ILE106 4.5 37.5 1.0
C7 A:EPJ300 4.5 45.8 1.0
CB A:VAL148 4.6 42.6 1.0
N E:PHE117 4.6 33.6 1.0
N E:ALA107 4.6 38.3 1.0
CA E:VAL108 4.7 41.5 1.0
CA A:VAL148 4.7 41.9 1.0
CG2 A:VAL148 4.8 41.3 1.0
O E:ALA107 4.8 41.2 1.0
CG E:MET116 4.8 35.2 1.0
C E:PHE117 4.8 31.6 1.0

Chlorine binding site 2 out of 5 in 2byq

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Chlorine binding site 2 out of 5 in the Crystal Structure of Aplysia Californica Achbp in Complex with Epibatidine


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 Aplysia Californica Achbp in Complex with Epibatidine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl300

b:45.1
occ:1.00
 CL B:EPJ300 0.0 45.1 1.0
C10 B:EPJ300 1.8 43.7 1.0
N2 B:EPJ300 2.7 44.2 1.0
C9 B:EPJ300 2.7 43.2 1.0
CG1 B:VAL148 3.3 47.0 1.0
O A:MET116 3.4 43.5 1.0
O A:ILE106 3.4 42.8 1.0
CG2 A:VAL108 3.5 48.5 1.0
CA A:ALA107 3.5 44.9 1.0
N A:VAL108 3.5 46.9 1.0
C A:ALA107 3.6 46.8 1.0
C11 B:EPJ300 4.0 44.0 1.0
C8 B:EPJ300 4.0 44.1 1.0
C A:ILE106 4.1 44.1 1.0
CB A:VAL108 4.2 49.2 1.0
N A:ALA107 4.2 45.3 1.0
CB B:VAL148 4.3 46.9 1.0
C A:MET116 4.3 42.6 1.0
O A:ALA107 4.4 48.5 1.0
CE A:MET116 4.4 45.4 1.0
CA A:PHE117 4.4 39.8 1.0
CA A:VAL108 4.4 49.1 1.0
C7 B:EPJ300 4.5 43.5 1.0
CB A:ALA107 4.6 44.2 1.0
N A:ILE118 4.7 38.1 1.0
N A:PHE117 4.8 40.8 1.0
CA B:VAL148 4.9 46.2 1.0

Chlorine binding site 3 out of 5 in 2byq

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Chlorine binding site 3 out of 5 in the Crystal Structure of Aplysia Californica Achbp in Complex with Epibatidine


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 Aplysia Californica Achbp in Complex with Epibatidine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl300

b:31.9
occ:1.00
 CL C:EPJ300 0.0 31.9 1.0
C10 C:EPJ300 1.8 30.8 1.0
C9 C:EPJ300 2.7 30.6 1.0
N2 C:EPJ300 2.8 30.3 1.0
CG2 B:VAL108 3.4 43.6 1.0
CG1 C:VAL148 3.6 38.9 1.0
CB C:VAL148 3.9 39.7 1.0
O B:MET116 4.0 39.7 1.0
O B:ILE106 4.0 37.4 1.0
C11 C:EPJ300 4.0 30.2 1.0
C8 C:EPJ300 4.0 30.0 1.0
N B:VAL108 4.1 42.0 1.0
CA B:ALA107 4.2 40.0 1.0
C B:ALA107 4.2 41.5 1.0
CB B:VAL108 4.3 44.2 1.0
CA C:VAL148 4.5 38.9 1.0
C7 C:EPJ300 4.5 29.5 1.0
C B:ILE106 4.7 38.6 1.0
CA B:VAL108 4.8 44.0 1.0
C B:MET116 4.8 39.2 1.0
N B:ALA107 4.8 39.8 1.0
O B:ALA107 4.9 42.4 1.0
SD B:MET116 5.0 41.6 1.0
N B:ILE118 5.0 34.4 1.0

Chlorine binding site 4 out of 5 in 2byq

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Chlorine binding site 4 out of 5 in the Crystal Structure of Aplysia Californica Achbp in Complex with Epibatidine


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 Aplysia Californica Achbp in Complex with Epibatidine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl300

b:36.8
occ:1.00
 CL D:EPJ300 0.0 36.8 1.0
C10 D:EPJ300 1.8 36.3 1.0
C9 D:EPJ300 2.7 36.4 1.0
N2 D:EPJ300 2.8 37.2 1.0
CG2 C:VAL108 3.4 40.6 1.0
CG1 D:VAL148 3.5 35.5 1.0
O C:ILE106 3.6 35.4 1.0
N C:VAL108 3.7 38.8 1.0
O C:MET116 3.7 37.2 1.0
CA C:ALA107 3.8 37.0 1.0
C C:ALA107 4.0 38.7 1.0
C8 D:EPJ300 4.0 36.7 1.0
C11 D:EPJ300 4.0 37.0 1.0
CB D:VAL148 4.1 35.6 1.0
CB C:VAL108 4.3 40.4 1.0
C C:ILE106 4.4 36.1 1.0
C C:MET116 4.5 36.4 1.0
CA D:VAL148 4.5 34.9 1.0
C7 D:EPJ300 4.5 36.0 1.0
N C:ALA107 4.5 36.9 1.0
CA C:VAL108 4.6 40.4 1.0
N C:ILE118 4.6 33.3 1.0
CA C:PHE117 4.7 34.6 1.0
CE C:MET116 4.7 37.1 1.0
O C:ALA107 4.8 40.2 1.0
N C:PHE117 4.9 35.4 1.0
CB C:ALA107 4.9 36.5 1.0
CG C:MET116 4.9 36.0 1.0
O D:VAL148 5.0 37.3 1.0

Chlorine binding site 5 out of 5 in 2byq

Go back to Chlorine Binding Sites List in 2byq
Chlorine binding site 5 out of 5 in the Crystal Structure of Aplysia Californica Achbp in Complex with Epibatidine


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 Aplysia Californica Achbp in Complex with Epibatidine within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl300

b:42.8
occ:1.00
 CL E:EPJ300 0.0 42.8 1.0
C10 E:EPJ300 1.8 41.1 1.0
C9 E:EPJ300 2.7 40.9 1.0
N2 E:EPJ300 2.7 40.8 1.0
CG2 D:VAL108 3.1 34.6 1.0
O D:ILE106 3.3 31.6 1.0
CG1 E:VAL148 3.6 38.9 1.0
CA D:ALA107 3.7 33.3 1.0
N D:VAL108 3.7 34.6 1.0
O D:MET116 3.8 32.3 1.0
C D:ALA107 3.9 34.8 1.0
C11 E:EPJ300 4.0 41.4 1.0
C8 E:EPJ300 4.0 41.0 1.0
C D:ILE106 4.1 32.7 1.0
N D:ALA107 4.3 33.5 1.0
CB E:VAL148 4.3 38.9 1.0
CB D:VAL108 4.4 35.8 1.0
C7 E:EPJ300 4.5 41.0 1.0
C D:MET116 4.6 31.4 1.0
N D:ILE118 4.6 28.7 1.0
CA D:VAL108 4.6 36.0 1.0
CA D:PHE117 4.7 29.9 1.0
O D:ALA107 4.7 36.5 1.0
CB D:ALA107 4.8 32.8 1.0
CA E:VAL148 4.8 37.8 1.0
N D:PHE117 5.0 30.4 1.0

Reference:

S.B.Hansen, G.Sulzenbacher, T.Huxford, P.Marchot, P.Taylor, Y.Bourne. Structures of Aplysia Achbp Complexes with Nicotinic Agonists and Antagonists Reveal Distinctive Binding Interfaces and Conformations. Embo J. V. 24 3635 2005.
ISSN: ISSN 0261-4189
PubMed: 16193063
DOI: 10.1038/SJ.EMBOJ.7600828
Page generated: Sat Jul 20 06:01:19 2024

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