Atomistry » Chlorine » PDB 6g1v-6g8l » 6g4o
Atomistry »
  Chlorine »
    PDB 6g1v-6g8l »
      6g4o »

Chlorine in PDB 6g4o: Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1

Enzymatic activity of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1

All present enzymatic activity of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1:
3.1.1.7;

Protein crystallography data

The structure of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1, PDB code: 6g4o was solved by G.Santoni, E.De La Mora, J.De Souza, I.Silman, J.Sussman, R.Baati, M.Weik, F.Nachon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.98 / 2.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.543, 106.351, 150.533, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 26.4

Other elements in 6g4o:

The structure of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1 also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1 (pdb code 6g4o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1, PDB code: 6g4o:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6g4o

Go back to Chlorine Binding Sites List in 6g4o
Chlorine binding site 1 out of 8 in the Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl605

b:77.5
occ:1.00
 NE2 A:GLN500 3.7 94.3 1.0
O A:HOH758 4.0 95.3 1.0
CD A:GLN500 4.3 84.0 1.0
OE1 A:GLN500 4.5 86.0 1.0

Chlorine binding site 2 out of 8 in 6g4o

Go back to Chlorine Binding Sites List in 6g4o
Chlorine binding site 2 out of 8 in the Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl606

b:65.8
occ:1.00
 OH A:TYR134 3.8 52.1 1.0
CE A:LYS133 4.1 43.7 1.0
CE2 A:TYR134 4.1 46.4 1.0
N A:LEU23 4.2 70.3 1.0
NZ A:LYS133 4.3 37.8 1.0
CZ A:TYR134 4.4 48.8 1.0
CD2 A:LEU23 4.5 62.5 1.0
OE1 A:GLU455 4.5 77.3 1.0
CA A:VAL22 4.7 55.0 1.0
CG2 A:VAL453 4.8 46.0 1.0
CA A:LEU23 5.0 67.2 1.0
O A:PRO21 5.0 53.1 1.0
C A:VAL22 5.0 67.2 1.0

Chlorine binding site 3 out of 8 in 6g4o

Go back to Chlorine Binding Sites List in 6g4o
Chlorine binding site 3 out of 8 in the Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl608

b:67.8
occ:1.00
 CD A:ARG216 3.9 62.2 1.0
NH2 A:ARG216 4.2 66.8 1.0
CB A:ARG216 4.5 57.6 1.0
CG A:ARG216 4.8 59.2 1.0
NE A:ARG216 5.0 65.1 1.0

Chlorine binding site 4 out of 8 in 6g4o

Go back to Chlorine Binding Sites List in 6g4o
Chlorine binding site 4 out of 8 in the Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl609

b:81.2
occ:1.00
 CB A:ASN506 3.7 36.7 1.0
ND1 A:HIS425 4.1 51.3 1.0
CG A:ASN506 4.1 39.9 1.0
OG1 A:THR507 4.2 65.2 1.0
ND2 A:ASN506 4.3 32.5 1.0
CB A:HIS425 4.3 58.4 1.0
CA A:HIS425 4.4 60.3 1.0
O A:ASN424 4.5 53.0 1.0
CG A:GLU508 4.6 67.6 1.0
CG A:HIS425 4.6 51.8 1.0
CD A:GLU508 4.6 77.0 1.0
N A:THR507 4.7 60.1 1.0
OE2 A:GLU508 4.7 95.5 1.0
OD1 A:ASN506 4.8 59.9 1.0
CA A:ASN506 5.0 38.4 1.0

Chlorine binding site 5 out of 8 in 6g4o

Go back to Chlorine Binding Sites List in 6g4o
Chlorine binding site 5 out of 8 in the Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl610

b:86.8
occ:1.00
 NE2 A:HIS264 3.0 0.2 1.0
CD2 A:HIS264 3.0 0.1 1.0
O A:HOH795 4.1 34.8 1.0
CE1 A:HIS264 4.2 0.6 1.0
CG A:HIS264 4.3 0.5 1.0
ND1 A:HIS264 4.9 0.5 1.0
CD A:ARG267 4.9 75.7 1.0

Chlorine binding site 6 out of 8 in 6g4o

Go back to Chlorine Binding Sites List in 6g4o
Chlorine binding site 6 out of 8 in the Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl605

b:64.7
occ:1.00
 NZ B:LYS133 3.4 38.1 1.0
OH B:TYR134 3.8 60.9 1.0
N B:LEU23 4.0 62.5 1.0
CA B:VAL22 4.1 57.7 1.0
CE2 B:TYR134 4.2 64.4 1.0
CE B:LYS133 4.5 50.0 1.0
CZ B:TYR134 4.5 53.9 1.0
C B:VAL22 4.6 56.0 1.0
O B:PRO21 4.6 54.0 1.0
N B:VAL22 4.7 63.6 1.0
CG1 B:VAL453 4.9 67.5 1.0
C B:PRO21 4.9 62.5 1.0

Chlorine binding site 7 out of 8 in 6g4o

Go back to Chlorine Binding Sites List in 6g4o
Chlorine binding site 7 out of 8 in the Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl607

b:83.1
occ:1.00
 O B:LEU256 3.5 61.5 1.0
NH2 B:ARG242 4.3 57.7 1.0
CG2 B:VAL246 4.3 32.7 1.0
N B:SER258 4.5 57.9 1.0
CA B:SER258 4.6 52.6 1.0
C B:SER258 4.6 55.0 1.0
N B:ASP259 4.6 60.1 1.0
C B:LEU256 4.6 62.1 1.0
OD2 B:ASP259 4.7 71.4 1.0
C B:ASN257 4.8 67.1 1.0
OD1 B:ASP259 4.9 62.4 1.0
CG B:ASP259 4.9 61.4 1.0
O B:ASN257 4.9 69.0 1.0

Chlorine binding site 8 out of 8 in 6g4o

Go back to Chlorine Binding Sites List in 6g4o
Chlorine binding site 8 out of 8 in the Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl608

b:48.6
occ:1.00
 N B:THR497 3.2 55.7 1.0
OG1 B:THR497 3.7 69.1 1.0
CB B:THR497 3.8 61.1 1.0
CA B:THR496 4.0 55.5 1.0
CA B:THR497 4.1 58.8 1.0
CB B:THR496 4.1 49.8 1.0
C B:THR496 4.1 56.1 1.0
O B:THR412 4.4 43.8 1.0
CG2 B:THR412 4.5 34.4 1.0
CG2 B:THR496 4.8 39.0 1.0

Reference:

G.Santoni, J.De Sousa, E.De La Mora, J.Dias, L.Jean, J.L.Sussman, I.Silman, P.Y.Renard, R.C.D.Brown, M.Weik, R.Baati, F.Nachon. Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited By Organophosphorus Nerve Agents. J. Med. Chem. V. 61 7630 2018.
ISSN: ISSN 1520-4804
PubMed: 30125110
DOI: 10.1021/ACS.JMEDCHEM.8B00592
Page generated: Sat Jul 27 23:42:39 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy