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Chlorine in PDB 5y2q: X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule

Protein crystallography data

The structure of X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule, PDB code: 5y2q was solved by L.L.Jiang, L.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.06 / 2.36
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.185, 77.156, 222.010, 90.00, 90.00, 90.00
R / Rfree (%) 22.3 / 27.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule (pdb code 5y2q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule, PDB code: 5y2q:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 5y2q

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Chlorine binding site 1 out of 10 in the X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:52.9
occ:1.00
 CLS D:8L3301 0.0 52.9 1.0
CAR D:8L3301 1.7 51.7 1.0
CAT D:8L3301 2.7 47.6 1.0
CAQ D:8L3301 2.7 44.7 1.0
CLU D:8L3301 3.1 63.0 1.0
CE A:MET114 3.3 44.4 1.0
NE2 A:GLN55 3.6 46.3 1.0
CD A:GLN55 3.7 43.5 1.0
OE1 A:GLN55 3.8 50.2 1.0
SG D:CYS187 4.0 75.9 1.0
CE A:LYS34 4.0 43.4 1.0
CAV D:8L3301 4.0 44.6 1.0
CAP D:8L3301 4.0 47.3 1.0
SD A:MET114 4.0 36.0 1.0
CB D:CYS187 4.1 65.8 1.0
CG A:GLN55 4.4 44.1 1.0
CAO D:8L3301 4.5 47.0 1.0
CG A:LYS34 4.6 38.3 1.0
CB A:GLN55 4.7 36.9 1.0
CD A:LYS34 4.9 46.9 1.0
NZ A:LYS34 4.9 46.5 1.0
OH A:TYR164 4.9 57.8 1.0

Chlorine binding site 2 out of 10 in 5y2q

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Chlorine binding site 2 out of 10 in the X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:63.0
occ:1.00
 CLU D:8L3301 0.0 63.0 1.0
CAT D:8L3301 1.7 47.6 1.0
CAV D:8L3301 2.6 44.6 1.0
CAR D:8L3301 2.7 51.7 1.0
CE A:MET114 3.1 44.4 1.0
CLS D:8L3301 3.1 52.9 1.0
CD2 A:LEU112 3.6 34.0 1.0
CAO D:8L3301 3.9 47.0 1.0
CAQ D:8L3301 4.0 44.7 1.0
NE2 A:GLN55 4.0 46.3 1.0
SG D:CYS187 4.1 75.9 1.0
CD1 A:LEU112 4.2 27.7 1.0
SD A:MET114 4.3 36.0 1.0
SG D:CYS188 4.4 79.3 1.0
CAP D:8L3301 4.4 47.3 1.0
CG A:LEU112 4.5 32.1 1.0
CD A:GLN55 4.7 43.5 1.0
CG A:GLN55 4.8 44.1 1.0
OAG D:8L3301 4.9 38.9 1.0
CB D:CYS187 4.9 65.8 1.0
CAH D:8L3301 4.9 31.8 1.0

Chlorine binding site 3 out of 10 in 5y2q

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Chlorine binding site 3 out of 10 in the X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:55.2
occ:1.00
 CLS D:8L3302 0.0 55.2 1.0
CAR D:8L3302 1.7 51.2 1.0
CAT D:8L3302 2.6 47.7 1.0
CAQ D:8L3302 2.7 43.6 1.0
CLU D:8L3302 3.0 55.6 1.0
CD D:GLN55 3.3 34.1 1.0
OE1 D:GLN55 3.4 34.1 1.0
NE2 D:GLN55 3.4 34.6 1.0
SG E:CYS187 3.8 70.7 1.0
CAV D:8L3302 3.9 38.9 1.0
CAP D:8L3302 4.0 43.9 1.0
OH D:TYR164 4.1 43.7 1.0
CG D:GLN55 4.1 30.6 1.0
SD D:MET114 4.2 36.3 1.0
CE D:LYS34 4.2 36.6 1.0
CE D:MET114 4.3 32.4 1.0
CB D:GLN55 4.4 27.7 1.0
CAO D:8L3302 4.4 43.9 1.0
CB E:CYS187 4.5 64.3 1.0
O D:HOH409 4.8 42.2 1.0
CZ D:TYR164 4.9 41.0 1.0
CG D:LYS34 5.0 33.0 1.0

Chlorine binding site 4 out of 10 in 5y2q

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Chlorine binding site 4 out of 10 in the X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:55.6
occ:1.00
 CLU D:8L3302 0.0 55.6 1.0
CAT D:8L3302 1.7 47.7 1.0
CAR D:8L3302 2.7 51.2 1.0
CAV D:8L3302 2.7 38.9 1.0
CLS D:8L3302 3.0 55.2 1.0
CE D:MET114 3.2 32.4 1.0
CD2 D:LEU112 3.4 34.5 1.0
NE2 D:GLN55 3.5 34.6 1.0
CD1 D:LEU112 3.9 30.6 1.0
CAO D:8L3302 4.0 43.9 1.0
CAQ D:8L3302 4.0 43.6 1.0
CD D:GLN55 4.1 34.1 1.0
CG D:LEU112 4.3 35.2 1.0
CG D:GLN55 4.3 30.6 1.0
SG E:CYS188 4.3 81.6 1.0
SD D:MET114 4.3 36.3 1.0
SG E:CYS187 4.4 70.7 1.0
CAP D:8L3302 4.5 43.9 1.0
O D:HOH437 4.9 57.9 1.0
OE1 D:GLN55 4.9 34.1 1.0

Chlorine binding site 5 out of 10 in 5y2q

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Chlorine binding site 5 out of 10 in the X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:60.0
occ:1.00
 CLS A:8L3301 0.0 60.0 1.0
CAR A:8L3301 1.7 54.7 1.0
CAQ A:8L3301 2.7 54.9 1.0
CAT A:8L3301 2.7 50.6 1.0
CLU A:8L3301 3.2 64.0 1.0
CE B:MET114 3.3 45.2 1.0
CAP A:8L3301 4.0 49.3 1.0
NE2 B:GLN55 4.0 51.6 1.0
CD B:GLN55 4.0 46.2 1.0
CAV A:8L3301 4.0 42.5 1.0
OE1 B:GLN55 4.0 47.5 1.0
SD B:MET114 4.1 43.9 1.0
CE B:LYS34 4.2 43.6 1.0
SG A:CYS187 4.4 73.4 1.0
CG B:LYS34 4.5 41.2 1.0
CAO A:8L3301 4.5 45.5 1.0
CB A:CYS187 4.5 73.3 1.0
CG B:GLN55 4.6 39.1 1.0
CB B:GLN55 4.8 34.7 1.0
CD B:LYS34 4.8 43.8 1.0
CE2 B:TYR164 5.0 50.7 1.0

Chlorine binding site 6 out of 10 in 5y2q

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Chlorine binding site 6 out of 10 in the X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:64.0
occ:1.00
 CLU A:8L3301 0.0 64.0 1.0
CAT A:8L3301 1.8 50.6 1.0
CAV A:8L3301 2.7 42.5 1.0
CAR A:8L3301 2.8 54.7 1.0
CE B:MET114 3.1 45.2 1.0
CLS A:8L3301 3.2 60.0 1.0
CD2 B:LEU112 3.6 29.4 1.0
NE2 B:GLN55 3.7 51.6 1.0
SG A:CYS187 3.9 73.4 1.0
CAO A:8L3301 4.0 45.5 1.0
CAQ A:8L3301 4.0 54.9 1.0
O B:HOH414 4.2 39.5 1.0
CD1 B:LEU112 4.3 28.8 1.0
SG A:CYS188 4.3 76.3 1.0
CD B:GLN55 4.4 46.2 1.0
SD B:MET114 4.4 43.9 1.0
CAP A:8L3301 4.5 49.3 1.0
CG B:LEU112 4.5 32.0 1.0
CB A:CYS187 4.6 73.3 1.0
CG B:GLN55 4.6 39.1 1.0

Chlorine binding site 7 out of 10 in 5y2q

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Chlorine binding site 7 out of 10 in the X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:51.6
occ:1.00
 CLS B:8L3301 0.0 51.6 1.0
CAR B:8L3301 1.8 42.0 1.0
CAT B:8L3301 2.7 40.2 1.0
CAQ B:8L3301 2.8 36.1 1.0
CLU B:8L3301 3.1 61.9 1.0
CE C:MET114 3.2 37.3 1.0
CD C:GLN55 3.4 37.7 1.0
NE2 C:GLN55 3.4 41.3 1.0
OE1 C:GLN55 3.5 41.0 1.0
CE C:LYS34 3.8 37.7 1.0
CAV B:8L3301 4.0 35.1 1.0
SG B:CYS187 4.1 55.1 1.0
CB B:CYS187 4.1 46.1 1.0
SD C:MET114 4.1 34.7 1.0
CAP B:8L3301 4.1 31.3 1.0
CG C:GLN55 4.1 31.0 1.0
CB C:GLN55 4.3 31.2 1.0
NZ C:LYS34 4.6 42.3 1.0
CAO B:8L3301 4.6 34.9 1.0
CG C:LYS34 4.8 37.2 1.0
CD C:LYS34 4.9 38.0 1.0

Chlorine binding site 8 out of 10 in 5y2q

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Chlorine binding site 8 out of 10 in the X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:61.9
occ:1.00
 CLU B:8L3301 0.0 61.9 1.0
CAT B:8L3301 1.7 40.2 1.0
CAR B:8L3301 2.7 42.0 1.0
CAV B:8L3301 2.7 35.1 1.0
CLS B:8L3301 3.1 51.6 1.0
CE2 C:TYR164 3.5 47.6 1.0
CZ3 C:TRP53 4.0 28.6 1.0
CD2 C:TYR164 4.0 41.5 1.0
CE3 C:TRP53 4.0 28.6 1.0
CAO B:8L3301 4.0 34.9 1.0
CAQ B:8L3301 4.0 36.1 1.0
CD1 B:TYR185 4.1 35.9 1.0
CZ C:TYR164 4.3 48.5 1.0
CG C:LYS34 4.4 37.2 1.0
CAP B:8L3301 4.5 31.3 1.0
CE C:LYS34 4.5 37.7 1.0
OH C:TYR164 4.6 48.7 1.0
CE1 B:TYR185 4.6 37.0 1.0
SD C:MET114 4.6 34.7 1.0
CD C:LYS34 4.7 38.0 1.0
SG B:CYS187 4.7 55.1 1.0
CG B:TYR185 4.9 36.3 1.0
CE C:MET114 5.0 37.3 1.0

Chlorine binding site 9 out of 10 in 5y2q

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Chlorine binding site 9 out of 10 in the X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:60.4
occ:1.00
 CLS C:8L3301 0.0 60.4 1.0
CAR C:8L3301 1.7 45.8 1.0
CAQ C:8L3301 2.7 45.9 1.0
CAT C:8L3301 2.7 40.0 1.0
CLU C:8L3301 3.2 56.1 1.0
CE E:MET114 3.3 38.9 1.0
OE1 E:GLN55 3.6 53.0 1.0
CD E:GLN55 3.8 47.6 1.0
NE2 E:GLN55 3.9 53.1 1.0
CE E:LYS34 3.9 44.7 1.0
CAP C:8L3301 4.0 39.8 1.0
CAV C:8L3301 4.0 37.6 1.0
SG C:CYS187 4.2 51.6 1.0
SD E:MET114 4.2 40.6 1.0
CB C:CYS187 4.3 44.8 1.0
CG E:LYS34 4.5 42.8 1.0
CAO C:8L3301 4.5 41.2 1.0
CG E:GLN55 4.7 41.6 1.0
CD E:LYS34 4.7 43.0 1.0
CB E:GLN55 4.8 39.0 1.0
NZ E:LYS34 4.8 48.9 1.0

Chlorine binding site 10 out of 10 in 5y2q

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Chlorine binding site 10 out of 10 in the X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:56.1
occ:1.00
 CLU C:8L3301 0.0 56.1 1.0
CAT C:8L3301 1.7 40.0 1.0
CAV C:8L3301 2.7 37.6 1.0
CAR C:8L3301 2.7 45.8 1.0
CLS C:8L3301 3.2 60.4 1.0
CE E:MET114 3.2 38.9 1.0
NE2 E:GLN55 3.5 53.1 1.0
SG C:CYS187 3.5 51.6 1.0
CD2 E:LEU112 3.8 32.5 1.0
SG C:CYS188 3.8 66.1 1.0
CAO C:8L3301 4.0 41.2 1.0
CAQ C:8L3301 4.0 45.9 1.0
CD1 E:LEU112 4.2 25.7 1.0
CD E:GLN55 4.2 47.6 1.0
CB C:CYS187 4.3 44.8 1.0
SD E:MET114 4.5 40.6 1.0
CAP C:8L3301 4.5 39.8 1.0
CG E:LEU112 4.6 28.1 1.0
CG E:GLN55 4.6 41.6 1.0
OE1 E:GLN55 4.8 53.0 1.0
CAH C:8L3301 5.0 29.7 1.0

Reference:

L.L.Jiang, L.Zhou. X-Ray Structure of Acetylcholine Binding Protein (Achbp) Complexed with A Small Molecule To Be Published.
Page generated: Fri Jul 26 21:16:51 2024

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