Atomistry » Chlorine » PDB 7a9a-7aj7 » 7aiv
Atomistry »
  Chlorine »
    PDB 7a9a-7aj7 »
      7aiv »

Chlorine in PDB 7aiv: Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex with 4-{[(3-Chloro-6,7,10,11-Tetrahydro-9-Methyl-7,11- Methanocycloocta[B]Quinolin-12-Yl)Amino]Methyl}-N-(4-Hydroxy-3- Methoxybenzyl)Benzamide

Enzymatic activity of Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex with 4-{[(3-Chloro-6,7,10,11-Tetrahydro-9-Methyl-7,11- Methanocycloocta[B]Quinolin-12-Yl)Amino]Methyl}-N-(4-Hydroxy-3- Methoxybenzyl)Benzamide

All present enzymatic activity of Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex with 4-{[(3-Chloro-6,7,10,11-Tetrahydro-9-Methyl-7,11- Methanocycloocta[B]Quinolin-12-Yl)Amino]Methyl}-N-(4-Hydroxy-3- Methoxybenzyl)Benzamide:
3.1.1.7;

Protein crystallography data

The structure of Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex with 4-{[(3-Chloro-6,7,10,11-Tetrahydro-9-Methyl-7,11- Methanocycloocta[B]Quinolin-12-Yl)Amino]Methyl}-N-(4-Hydroxy-3- Methoxybenzyl)Benzamide, PDB code: 7aiv was solved by N.Coquelle, J.P.Colletier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.98 / 2.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 92.03, 106.66, 151.47, 90, 90, 90
R / Rfree (%) 20.8 / 26.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex with 4-{[(3-Chloro-6,7,10,11-Tetrahydro-9-Methyl-7,11- Methanocycloocta[B]Quinolin-12-Yl)Amino]Methyl}-N-(4-Hydroxy-3- Methoxybenzyl)Benzamide (pdb code 7aiv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex with 4-{[(3-Chloro-6,7,10,11-Tetrahydro-9-Methyl-7,11- Methanocycloocta[B]Quinolin-12-Yl)Amino]Methyl}-N-(4-Hydroxy-3- Methoxybenzyl)Benzamide, PDB code: 7aiv:

Chlorine binding site 1 out of 1 in 7aiv

Go back to Chlorine Binding Sites List in 7aiv
Chlorine binding site 1 out of 1 in the Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex with 4-{[(3-Chloro-6,7,10,11-Tetrahydro-9-Methyl-7,11- Methanocycloocta[B]Quinolin-12-Yl)Amino]Methyl}-N-(4-Hydroxy-3- Methoxybenzyl)Benzamide


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 Torpedo Californica Acetylcholinesterase in Complex with 4-{[(3-Chloro-6,7,10,11-Tetrahydro-9-Methyl-7,11- Methanocycloocta[B]Quinolin-12-Yl)Amino]Methyl}-N-(4-Hydroxy-3- Methoxybenzyl)Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:36.8
occ:1.00
 CL1 B:8UE601 0.0 36.8 1.0
CAN B:8UE601 1.8 47.5 1.0
CAM B:8UE601 2.7 38.6 1.0
CAP B:8UE601 2.8 34.1 1.0
CE2 B:TRP432 3.3 32.4 1.0
CZ2 B:TRP432 3.4 28.3 1.0
CD2 B:TRP432 3.6 37.1 1.0
CH2 B:TRP432 3.7 33.0 1.0
NE1 B:TRP432 3.8 29.3 1.0
CG2 B:ILE439 3.8 32.2 1.0
CE B:MET436 3.9 33.6 1.0
CD1 B:PHE330 3.9 31.8 1.0
CE3 B:TRP432 3.9 30.8 1.0
CZ3 B:TRP432 4.0 34.9 1.0
CAL B:8UE601 4.0 36.2 1.0
CAQ B:8UE601 4.0 35.4 1.0
CB B:PHE330 4.1 35.0 1.0
CD1 B:ILE439 4.1 31.0 1.0
CG B:TRP432 4.2 43.8 1.0
CD1 B:TRP432 4.3 38.5 1.0
CG B:PHE330 4.3 30.6 1.0
CA B:PHE330 4.5 33.4 1.0
CE1 B:TYR442 4.5 29.2 1.0
CAR B:8UE601 4.6 38.5 1.0
SD B:MET436 4.7 42.1 1.0
CE1 B:PHE330 4.8 32.1 1.0
OH B:TYR442 4.8 32.1 1.0
CD2 B:LEU333 4.9 30.0 1.0

Reference:

E.Vienna, N.Coquelle, M.Cieslikiewicz-Boutet, M.Bartolini, A.De Simone, M.Ricchini, M.Rendina, O.Firuzi, B.Perez, L.Saso, V.Andrisano, F.Nachon, X.Brazzolotto, L.Jean, J.P.Colletier, P.Y.Renard, D.Munoz-Torero. Overcoming the Ache Over Bche Selectivity of Huprine Derivatives in A Novel Class of Multi Target Anti-Alzheimer Compounds To Be Published.
Page generated: Sat Jul 12 22:43:34 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy