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Chlorine in PDB 3zv7: Torpedo Californica Acetylcholinesterase Inhibition By Bisnorcymserine

Enzymatic activity of Torpedo Californica Acetylcholinesterase Inhibition By Bisnorcymserine

All present enzymatic activity of Torpedo Californica Acetylcholinesterase Inhibition By Bisnorcymserine:
3.1.1.7;

Protein crystallography data

The structure of Torpedo Californica Acetylcholinesterase Inhibition By Bisnorcymserine, PDB code: 3zv7 was solved by C.Bartolucci, J.Stojan, N.H.Greig, D.Lamba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.21 / 2.26
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 111.008, 111.008, 137.387, 90.00, 90.00, 120.00
R / Rfree (%) 20.6 / 24.7

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 Inhibition By Bisnorcymserine (pdb code 3zv7). 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 Inhibition By Bisnorcymserine, PDB code: 3zv7:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 3zv7

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Chlorine binding site 1 out of 11 in the Torpedo Californica Acetylcholinesterase Inhibition By Bisnorcymserine


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 Inhibition By Bisnorcymserine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1545

b:42.7
occ:0.50
 NZ A:LYS133 3.8 52.5 1.0
OH A:TYR134 3.8 56.0 1.0
N A:LEU23 3.9 52.5 1.0
CE1 A:TYR134 4.1 45.8 1.0
CE A:LYS133 4.1 49.6 1.0
CA A:VAL22 4.3 45.7 1.0
CZ A:TYR134 4.5 46.7 1.0
O A:PRO21 4.5 53.8 1.0
C A:VAL22 4.6 50.2 1.0
CG2 A:VAL453 4.8 52.5 1.0
CA A:LEU23 4.9 60.3 1.0
N A:VAL22 4.9 44.3 1.0
C A:PRO21 5.0 49.0 1.0
CD2 A:LEU23 5.0 60.1 1.0

Chlorine binding site 2 out of 11 in 3zv7

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Chlorine binding site 2 out of 11 in the Torpedo Californica Acetylcholinesterase Inhibition By Bisnorcymserine


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 Inhibition By Bisnorcymserine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1546

b:47.8
occ:0.50
 CL A:CL1548 2.7 58.8 0.5
ND1 A:HIS406 2.8 43.8 1.0
CE1 A:HIS406 3.7 43.9 1.0
CG A:HIS406 3.7 46.0 1.0
CA A:HIS406 3.8 35.1 1.0
CB A:HIS406 3.9 40.6 1.0
CB A:ASN525 4.1 39.2 1.0
ND2 A:ASN525 4.1 31.7 1.0
CG A:ASN525 4.5 40.7 1.0
N A:HIS406 4.7 38.0 1.0
O A:HIS406 4.8 42.4 1.0
C A:HIS406 4.8 36.6 1.0
NE2 A:HIS406 4.8 45.3 1.0
CD2 A:HIS406 4.9 44.7 1.0
CL A:CL1551 4.9 64.3 0.5
O A:MET405 4.9 39.6 1.0

Chlorine binding site 3 out of 11 in 3zv7

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Chlorine binding site 3 out of 11 in the Torpedo Californica Acetylcholinesterase Inhibition By Bisnorcymserine


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 Inhibition By Bisnorcymserine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1547

b:56.5
occ:0.50
 C3 A:PEG1538 3.7 58.8 1.0
CB A:PRO232 3.8 31.5 1.0
O A:PRO232 4.0 35.3 1.0
CA A:PRO232 4.1 29.1 1.0
C4 A:PEG1538 4.2 61.8 1.0
O A:HOH2190 4.3 52.1 1.0
NE2 A:HIS362 4.3 52.2 1.0
CE1 A:HIS362 4.4 50.0 1.0
CD2 A:HIS362 4.5 52.9 1.0
C A:PRO232 4.5 37.2 1.0
O4 A:PEG1538 4.5 64.1 1.0
ND1 A:HIS362 4.6 54.5 1.0
CG A:HIS362 4.7 58.5 1.0
NH2 A:ARG289 4.7 26.0 1.0
O A:HOH2065 4.8 42.6 1.0
O2 A:PEG1538 4.8 66.6 1.0
O A:HOH2156 5.0 27.3 1.0

Chlorine binding site 4 out of 11 in 3zv7

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Chlorine binding site 4 out of 11 in the Torpedo Californica Acetylcholinesterase Inhibition By Bisnorcymserine


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 Inhibition By Bisnorcymserine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1548

b:58.8
occ:0.50
 CL A:CL1551 2.6 64.3 0.5
CL A:CL1546 2.7 47.8 0.5
ND2 A:ASN409 3.4 41.8 1.0
O A:MET405 3.7 39.6 1.0
C A:MET405 4.0 35.6 1.0
ND2 A:ASN525 4.1 31.7 1.0
CA A:HIS406 4.1 35.1 1.0
N A:HIS406 4.2 38.0 1.0
CG A:ASN409 4.2 53.1 1.0
CB A:MET405 4.3 31.4 1.0
CB A:ASN409 4.5 39.8 1.0
O A:HOH2290 4.8 56.1 1.0
CA A:MET405 4.8 33.1 1.0
CB A:HIS406 4.9 40.6 1.0

Chlorine binding site 5 out of 11 in 3zv7

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Chlorine binding site 5 out of 11 in the Torpedo Californica Acetylcholinesterase Inhibition By Bisnorcymserine


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 Inhibition By Bisnorcymserine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1549

b:64.5
occ:0.50
 O A:HOH2257 3.7 53.8 1.0
O A:TRP432 3.7 42.4 1.0
OE2 A:GLU434 3.9 0.1 1.0
O A:VAL431 4.3 41.4 1.0
C A:TRP432 4.3 38.7 1.0
CA A:PRO433 4.3 37.1 1.0
O A:LEU430 4.4 55.5 1.0
N A:PRO433 4.6 39.0 1.0
C A:VAL431 4.7 41.1 1.0
O A:HOH2212 4.9 38.5 1.0
N A:GLU434 5.0 43.3 1.0

Chlorine binding site 6 out of 11 in 3zv7

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Chlorine binding site 6 out of 11 in the Torpedo Californica Acetylcholinesterase Inhibition By Bisnorcymserine


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 Inhibition By Bisnorcymserine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1550

b:52.9
occ:0.50
 O A:LEU256 3.4 58.8 1.0
OD1 A:ASP259 3.7 54.7 1.0
C A:SER258 3.8 58.6 1.0
O A:SER258 4.0 49.5 1.0
N A:ASP259 4.1 51.2 1.0
CG2 A:VAL246 4.1 31.4 1.0
CD2 A:LEU262 4.2 44.9 1.0
C A:LEU256 4.2 59.7 1.0
CA A:SER258 4.2 56.9 1.0
N A:SER258 4.3 58.7 1.0
CA A:ASP259 4.5 51.4 1.0
NH1 A:ARG242 4.6 39.8 1.0
CB A:LEU262 4.7 53.1 1.0
CA A:LEU256 4.7 55.4 1.0
C A:ASN257 4.8 60.4 1.0
CG A:ASP259 4.8 57.9 1.0
CB A:LEU256 5.0 53.3 1.0

Chlorine binding site 7 out of 11 in 3zv7

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Chlorine binding site 7 out of 11 in the Torpedo Californica Acetylcholinesterase Inhibition By Bisnorcymserine


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 Inhibition By Bisnorcymserine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1551

b:64.3
occ:0.50
 CL A:CL1548 2.6 58.8 0.5
O A:HOH2290 3.2 56.1 1.0
CB A:CYS521 3.5 36.4 1.0
CG1 A:VAL518 3.9 42.9 1.0
CA A:VAL518 4.1 38.7 1.0
O A:VAL518 4.3 44.8 1.0
C A:CYS521 4.3 43.9 1.0
N A:VAL522 4.4 37.8 1.0
CA A:CYS521 4.5 36.5 1.0
CB A:VAL518 4.6 39.3 1.0
O A:CYS521 4.6 43.3 1.0
CG2 A:VAL522 4.7 41.2 1.0
C A:VAL518 4.7 35.0 1.0
ND2 A:ASN409 4.7 41.8 1.0
CB A:MET405 4.7 31.4 1.0
ND2 A:ASN525 4.8 31.7 1.0
SG A:CYS521 4.9 42.2 1.0
CL A:CL1546 4.9 47.8 0.5
CA A:VAL522 5.0 36.9 1.0
N A:VAL518 5.0 38.9 1.0

Chlorine binding site 8 out of 11 in 3zv7

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Chlorine binding site 8 out of 11 in the Torpedo Californica Acetylcholinesterase Inhibition By Bisnorcymserine


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 Inhibition By Bisnorcymserine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1552

b:48.5
occ:0.50
 NH2 A:ARG243 2.6 66.0 1.0
O A:LEU282 3.5 37.1 1.0
O A:VAL281 3.6 40.5 1.0
O A:ASN280 3.7 44.6 1.0
CG A:GLU247 3.8 51.1 1.0
C A:VAL281 3.9 45.3 1.0
CZ A:ARG243 3.9 50.7 1.0
CA A:VAL281 4.0 42.3 1.0
CD A:GLU247 4.1 61.4 1.0
O A:HOH2169 4.3 46.4 1.0
C A:LEU282 4.3 40.6 1.0
OE2 A:GLU247 4.4 61.9 1.0
OE1 A:GLU247 4.6 57.8 1.0
N A:LEU282 4.7 41.1 1.0
NE A:ARG243 4.7 55.5 1.0
C A:ASN280 4.7 39.6 1.0
CA A:PRO283 4.7 42.0 1.0
NH1 A:ARG243 4.7 53.8 1.0
CB A:GLU247 4.8 38.7 1.0
N A:PRO283 4.9 38.5 1.0
N A:VAL281 4.9 36.9 1.0

Chlorine binding site 9 out of 11 in 3zv7

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Chlorine binding site 9 out of 11 in the Torpedo Californica Acetylcholinesterase Inhibition By Bisnorcymserine


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 Inhibition By Bisnorcymserine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1553

b:59.8
occ:0.50
 O A:HOH2256 2.9 45.0 1.0
N A:VAL431 3.2 46.6 1.0
O A:HOH2064 3.3 53.7 1.0
CD1 A:LEU430 3.5 42.2 1.0
CA A:LEU430 3.5 42.4 1.0
CG2 A:VAL431 3.7 49.2 1.0
C A:LEU430 3.9 46.1 1.0
O A:ASN429 3.9 52.0 1.0
CE2 A:TYR442 4.0 36.4 1.0
CG1 A:VAL431 4.1 38.7 1.0
CG A:LEU430 4.2 49.2 1.0
CB A:VAL431 4.2 42.4 1.0
CA A:VAL431 4.3 39.2 1.0
N A:LEU430 4.3 44.7 1.0
CB A:LEU430 4.4 44.3 1.0
C A:ASN429 4.4 49.5 1.0
CD2 A:TYR442 4.7 36.9 1.0
OD1 A:ASN429 4.7 56.7 1.0
CZ A:TYR442 4.9 37.6 1.0
OH A:TYR442 4.9 47.5 1.0
CL A:CL1554 5.0 73.5 0.5
CD1 A:TRP432 5.0 34.1 1.0

Chlorine binding site 10 out of 11 in 3zv7

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Chlorine binding site 10 out of 11 in the Torpedo Californica Acetylcholinesterase Inhibition By Bisnorcymserine


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 Inhibition By Bisnorcymserine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1554

b:73.5
occ:0.50
 O A:HOH2064 2.8 53.7 1.0
OH A:TYR458 3.5 45.7 1.0
O A:HOH2256 4.3 45.0 1.0
CZ A:TYR458 4.4 49.9 1.0
CE1 A:TYR458 4.6 46.9 1.0
OE1 A:GLU445 4.7 45.2 1.0
CD2 A:LEU456 4.8 39.8 1.0
OE2 A:GLU445 4.8 42.9 1.0
CD1 A:LEU456 4.9 49.6 1.0
CD A:GLU445 4.9 43.9 1.0
CL A:CL1553 5.0 59.8 0.5

Reference:

C.Bartolucci, J.Stojan, Q.S.Yu, N.H.Greig, D.Lamba. Kinetics of Torpedo Californica Acetylcholinesterase Inhibition By Bisnorcymserine and Crystal Structure of the Complex with Its Leaving Group. Biochem.J. V. 444 269 2012.
ISSN: ISSN 0264-6021
PubMed: 22390827
DOI: 10.1042/BJ20111675
Page generated: Sun Jul 21 08:30:44 2024

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