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Chlorine in PDB 2c4h: Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine

Enzymatic activity of Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine

All present enzymatic activity of Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine:
3.1.1.7;

Protein crystallography data

The structure of Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine, PDB code: 2c4h was solved by J.P.Colletier, D.Fournier, H.M.Greenblatt, J.L.Sussman, G.Zaccai, I.Silman, M.Weik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.80 / 2.15
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 111.990, 111.990, 137.120, 90.00, 90.00, 120.00
R / Rfree (%) 16.9 / 20.9

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine (pdb code 2c4h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine, PDB code: 2c4h:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 2c4h

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Chlorine binding site 1 out of 11 in the Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1544

b:49.5
occ:1.00
 O A:HOH2910 3.0 62.6 1.0
ND1 A:HIS406 3.2 28.3 1.0
NE2 A:GLN526 3.5 35.2 0.5
ND2 A:ASN409 3.6 44.7 1.0
OD1 A:ASN525 3.6 31.1 1.0
CA A:HIS406 3.7 27.0 1.0
O A:HOH2377 3.7 88.4 1.0
CB A:HIS406 3.9 25.9 1.0
CB A:ASN525 4.0 26.4 1.0
CG A:HIS406 4.0 30.1 1.0
CG A:ASN525 4.2 27.4 1.0
CE1 A:HIS406 4.2 29.7 1.0
OE1 A:GLN526 4.2 37.3 0.5
CD A:GLN526 4.3 36.7 0.5
N A:HIS406 4.4 27.1 1.0
CG A:ASN409 4.6 42.2 1.0
CB A:ASN409 4.6 36.8 1.0
O A:HOH2909 4.7 81.5 1.0
O A:MET405 4.7 26.0 1.0
O A:HOH2725 4.7 55.6 1.0
C A:HIS406 4.8 28.2 1.0
O A:HIS406 4.8 27.6 1.0
C A:MET405 4.9 27.5 1.0

Chlorine binding site 2 out of 11 in 2c4h

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Chlorine binding site 2 out of 11 in the Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1545

b:35.3
occ:1.00
 NE2 A:HIS398 3.2 25.9 1.0
O A:HOH2212 3.2 56.0 1.0
O A:HOH2121 3.3 43.3 1.0
CD A:PRO361 3.5 33.5 1.0
N A:HIS362 3.5 40.5 1.0
NH2 A:ARG289 3.5 29.0 1.0
CA A:VAL360 3.7 29.7 1.0
N A:PRO361 3.7 32.5 1.0
CB A:HIS362 3.7 48.3 1.0
C A:VAL360 3.8 31.2 1.0
CG A:PRO361 3.8 34.0 1.0
CG1 A:VAL360 3.9 28.7 1.0
CE1 A:HIS398 4.0 26.4 1.0
CA A:HIS362 4.2 44.6 1.0
CD2 A:HIS398 4.2 26.8 1.0
ND1 A:HIS362 4.2 55.0 1.0
O A:SER359 4.4 31.1 1.0
CG A:HIS362 4.4 53.6 1.0
O A:HOH2672 4.4 45.1 1.0
CB A:VAL360 4.4 29.5 1.0
O A:VAL360 4.5 30.8 1.0
C A:PRO361 4.5 37.3 1.0
CA A:PRO361 4.5 35.6 1.0
CZ A:ARG289 4.6 30.4 1.0
N A:VAL360 4.8 29.1 1.0
O A:HOH2080 4.8 49.3 1.0
NE A:ARG289 4.8 28.7 1.0
C A:HIS362 4.9 45.0 1.0
O A:HOH2495 4.9 46.4 1.0
CB A:PRO361 4.9 35.0 1.0
N A:ALA363 5.0 43.4 1.0
C A:SER359 5.0 28.9 1.0

Chlorine binding site 3 out of 11 in 2c4h

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Chlorine binding site 3 out of 11 in the Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1546

b:58.5
occ:1.00
 O A:HOH2231 3.0 50.7 1.0
O A:HOH2758 3.3 38.5 1.0
O A:HOH2771 3.4 45.2 1.0
O A:HOH2756 3.4 54.7 1.0
N A:VAL431 3.7 39.8 1.0
CD2 A:LEU430 3.8 42.7 1.0
CE2 A:TYR442 3.8 31.2 1.0
CA A:LEU430 3.9 41.6 1.0
CG2 A:VAL431 3.9 41.4 1.0
O A:ASN429 4.0 39.0 1.0
C A:LEU430 4.3 40.6 1.0
CG A:LEU430 4.4 42.6 1.0
CG1 A:VAL431 4.5 41.8 1.0
CD2 A:TYR442 4.6 32.5 1.0
SD A:MET83 4.6 38.8 1.0
CB A:VAL431 4.6 41.2 1.0
N A:LEU430 4.6 40.4 1.0
OH A:TYR442 4.7 29.0 1.0
C A:ASN429 4.7 39.5 1.0
CZ A:TYR442 4.7 32.1 1.0
CA A:VAL431 4.7 39.9 1.0
CB A:LEU430 4.7 41.5 1.0
OD1 A:ASN429 4.8 39.5 1.0
OE1 A:GLU445 4.9 35.4 1.0
O A:HOH2085 4.9 88.5 1.0

Chlorine binding site 4 out of 11 in 2c4h

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Chlorine binding site 4 out of 11 in the Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1547

b:82.6
occ:1.00
 O A:HOH2585 2.6 67.5 1.0
OD1 A:ASP297 2.8 42.0 1.0
O A:GLY166 3.2 30.5 1.0
CB A:PRO165 4.0 33.9 1.0
OE1 A:GLU299 4.0 57.6 1.0
O A:PRO165 4.0 33.8 1.0
CD A:GLU299 4.0 57.2 1.0
OE2 A:GLU299 4.0 58.5 1.0
CG A:ASP297 4.0 37.0 1.0
CB A:ASN167 4.0 29.6 1.0
ND2 A:ASN167 4.1 28.7 1.0
C A:GLY166 4.1 31.9 1.0
O A:HOH2421 4.2 47.5 1.0
O A:HOH2132 4.2 56.6 1.0
C A:PRO165 4.3 35.2 1.0
CB A:GLU299 4.3 44.0 1.0
NH2 A:ARG47 4.4 39.6 1.0
O A:HOH2586 4.4 84.2 1.0
CG A:PRO165 4.4 32.8 1.0
CG A:ASN167 4.6 30.8 1.0
CG A:GLU299 4.7 53.3 1.0
N A:GLY166 4.7 34.5 1.0
CA A:PRO165 4.8 33.8 1.0
OD2 A:ASP297 4.8 35.9 1.0
NE A:ARG47 4.8 38.9 1.0
CD1 A:LEU171 4.9 29.0 1.0
CZ A:ARG47 4.9 40.7 1.0
CB A:ASP297 4.9 36.6 1.0
CA A:GLY166 4.9 33.7 1.0
N A:ASN167 5.0 32.5 1.0
CA A:ASN167 5.0 30.2 1.0

Chlorine binding site 5 out of 11 in 2c4h

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Chlorine binding site 5 out of 11 in the Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1548

b:69.0
occ:1.00
 O A:HOH2034 3.2 60.4 1.0
N A:LEU23 3.3 44.4 1.0
CE1 A:TYR134 3.7 43.6 1.0
CD1 A:LEU23 3.9 49.2 1.0
CA A:VAL22 3.9 41.1 1.0
C A:VAL22 4.1 41.7 1.0
CA A:LEU23 4.2 48.2 1.0
CE A:LYS133 4.2 40.8 1.0
NZ A:LYS133 4.3 40.9 1.0
OH A:TYR134 4.3 49.3 1.0
CZ A:TYR134 4.5 45.1 1.0
O A:PRO21 4.6 43.0 1.0
CG2 A:VAL453 4.6 42.2 1.0
CD1 A:TYR134 4.6 43.0 1.0
N A:VAL22 4.7 40.6 1.0
CG2 A:VAL22 4.8 37.4 1.0
CB A:VAL22 4.9 38.2 1.0
C A:PRO21 4.9 41.5 1.0
CG1 A:VAL453 4.9 44.4 1.0
CG A:LEU23 5.0 49.1 1.0

Chlorine binding site 6 out of 11 in 2c4h

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Chlorine binding site 6 out of 11 in the Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1549

b:88.8
occ:1.00
 O A:HOH2533 2.8 0.5 1.0
O A:LEU256 3.4 52.2 1.0
O A:HOH2243 3.7 73.3 1.0
OD2 A:ASP259 3.8 46.4 1.0
CG2 A:VAL246 3.9 33.1 1.0
O A:HOH2506 3.9 72.2 1.0
C A:LEU256 4.1 52.2 1.0
C A:SER258 4.2 51.6 1.0
CD2 A:LEU262 4.2 38.3 1.0
O A:SER258 4.3 51.0 1.0
N A:ASP259 4.4 50.2 1.0
N A:SER258 4.4 53.1 1.0
CA A:LEU256 4.5 50.8 1.0
CA A:SER258 4.5 51.8 1.0
CB A:LEU256 4.6 49.5 1.0
CB A:LEU262 4.7 39.8 1.0
CA A:ASP259 4.8 49.2 1.0
NH1 A:ARG242 4.8 39.1 1.0
CG1 A:VAL246 4.9 35.5 1.0
C A:ASN257 4.9 55.0 1.0
CB A:VAL246 4.9 34.8 1.0
CG A:ASP259 5.0 48.4 1.0

Chlorine binding site 7 out of 11 in 2c4h

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Chlorine binding site 7 out of 11 in the Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1550

b:80.1
occ:1.00
 N A:GLN272 2.9 39.4 1.0
CD A:PRO271 3.3 39.6 1.0
CB A:GLN272 3.3 41.1 1.0
N A:PRO271 3.5 40.5 1.0
CB A:PRO271 3.6 39.8 1.0
CA A:GLN272 3.7 40.0 1.0
O A:HOH2254 3.7 83.2 1.0
O A:HOH2186 3.8 44.2 1.0
C A:PRO271 3.9 38.9 1.0
CA A:PRO271 3.9 39.6 1.0
CB A:LYS270 3.9 43.6 0.5
CB A:LYS270 3.9 44.4 0.5
CG A:PRO271 3.9 40.7 1.0
C A:LYS270 4.1 41.0 0.5
C A:LYS270 4.1 41.2 0.5
CA A:LYS270 4.5 42.0 0.5
CA A:LYS270 4.5 42.3 0.5
CG A:GLN272 4.7 43.6 1.0
O A:LYS270 4.7 40.7 0.5
O A:LYS270 4.7 40.9 0.5
OE1 A:GLN68 4.8 40.2 1.0
CG A:LYS270 4.8 45.3 0.5
C A:GLN272 4.9 39.8 1.0
CD A:LYS270 4.9 45.5 0.5
N A:GLU273 5.0 38.9 1.0
CG A:LYS270 5.0 46.5 0.5

Chlorine binding site 8 out of 11 in 2c4h

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Chlorine binding site 8 out of 11 in the Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1551

b:79.6
occ:1.00
 NH1 A:ARG243 3.1 36.7 1.0
O A:LEU282 3.7 31.8 1.0
O A:VAL281 3.7 32.4 1.0
CG A:GLU247 3.9 40.1 1.0
O A:ASN280 3.9 32.4 1.0
CZ A:ARG243 4.0 37.0 1.0
C A:VAL281 4.0 32.0 1.0
NH2 A:ARG243 4.1 37.7 1.0
CA A:VAL281 4.2 32.0 1.0
CD A:GLU247 4.2 43.5 1.0
O A:HOH2507 4.3 57.1 1.0
C A:LEU282 4.3 31.0 1.0
OE2 A:GLU247 4.6 44.7 1.0
OE1 A:GLU247 4.6 42.8 1.0
CA A:PRO283 4.6 31.8 1.0
O A:HOH2569 4.7 44.5 1.0
N A:LEU282 4.7 31.0 1.0
N A:PRO283 4.8 31.1 1.0
CB A:GLU247 4.8 36.7 1.0
O A:HOH2570 4.8 79.4 1.0
C A:ASN280 4.9 32.8 1.0

Chlorine binding site 9 out of 11 in 2c4h

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Chlorine binding site 9 out of 11 in the Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1552

b:82.9
occ:1.00
 O A:HOH2019 2.6 61.0 1.0
O A:HOH2022 3.0 64.0 1.0
CG A:LYS11 4.3 38.7 1.0
CA A:LYS11 4.4 38.9 1.0
O A:THR10 4.5 39.0 1.0
N A:LYS11 4.7 39.4 1.0
C A:THR10 4.8 39.4 1.0
CZ A:PHE186 4.8 33.7 1.0
O A:HOH2021 4.8 67.1 1.0
ND2 A:ASN9 4.8 51.0 1.0
CB A:LYS11 4.9 38.2 1.0

Chlorine binding site 10 out of 11 in 2c4h

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Chlorine binding site 10 out of 11 in the Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Torpedo Californica Acetylcholinesterase in Complex with 500MM Acetylthiocholine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1553

b:69.0
occ:1.00
 O A:HOH2680 2.9 53.3 1.0
CB A:ASP369 3.7 33.2 1.0
CG A:ASP369 4.1 37.4 1.0
O A:HOH2682 4.2 65.4 1.0
OD2 A:ASP369 4.4 40.9 1.0
OD1 A:ASP369 4.5 37.8 1.0
CA A:ASP369 4.7 31.2 1.0
O A:ASP369 4.7 31.2 1.0
C A:ASP369 4.9 29.6 1.0

Reference:

J.P.Colletier, D.Fournier, H.M.Greenblatt, J.Stojan, J.L.Sussman, G.Zaccai, I.Silman, M.Weik. Structural Insights Into Substrate Traffic and Inhibition in Acetylcholinesterase. Embo J. V. 25 2746 2006.
ISSN: ISSN 0261-4189
PubMed: 16763558
DOI: 10.1038/SJ.EMBOJ.7601175
Page generated: Sat Jul 20 06:08:58 2024

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