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Chlorine in PDB 5nuu: Torpedo Californica Acetylcholinesterase in Complex with A Chlorotacrine-Tryptophan Hybrid Inhibitor

Enzymatic activity of Torpedo Californica Acetylcholinesterase in Complex with A Chlorotacrine-Tryptophan Hybrid Inhibitor

All present enzymatic activity of Torpedo Californica Acetylcholinesterase in Complex with A Chlorotacrine-Tryptophan Hybrid Inhibitor:
3.1.1.7;

Protein crystallography data

The structure of Torpedo Californica Acetylcholinesterase in Complex with A Chlorotacrine-Tryptophan Hybrid Inhibitor, PDB code: 5nuu was solved by R.Caliandro, A.Pesaresi, D.Lamba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.49 / 2.50
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 111.870, 111.870, 137.591, 90.00, 90.00, 120.00
R / Rfree (%) 18.8 / 24.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Torpedo Californica Acetylcholinesterase in Complex with A Chlorotacrine-Tryptophan Hybrid Inhibitor (pdb code 5nuu). 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 Torpedo Californica Acetylcholinesterase in Complex with A Chlorotacrine-Tryptophan Hybrid Inhibitor, PDB code: 5nuu:

Chlorine binding site 1 out of 1 in 5nuu

Go back to Chlorine Binding Sites List in 5nuu
Chlorine binding site 1 out of 1 in the Torpedo Californica Acetylcholinesterase in Complex with A Chlorotacrine-Tryptophan Hybrid Inhibitor


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 A Chlorotacrine-Tryptophan Hybrid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl611

b:47.3
occ:1.00
CL A:9A5611 0.0 47.3 1.0
CBB A:9A5611 1.6 51.8 1.0
CAK A:9A5611 2.6 49.5 1.0
CAF A:9A5611 2.6 51.6 1.0
CE2 A:TRP432 3.4 38.3 1.0
CZ2 A:TRP432 3.6 38.5 1.0
NE1 A:TRP432 3.7 37.3 1.0
CE A:MET436 3.7 39.5 1.0
CD2 A:TRP432 3.7 39.9 1.0
CG2 A:ILE439 3.8 36.8 1.0
CB A:PHE330 3.8 40.2 1.0
CD1 A:PHE330 3.9 46.3 1.0
CAI A:9A5611 3.9 55.8 1.0
CBG A:9A5611 3.9 47.9 1.0
CH2 A:TRP432 4.0 40.2 1.0
CD1 A:TRP432 4.1 37.9 1.0
CG A:PHE330 4.2 42.9 1.0
CE3 A:TRP432 4.2 38.2 1.0
CG A:TRP432 4.2 40.6 1.0
CZ3 A:TRP432 4.3 36.3 1.0
CE1 A:TYR442 4.4 40.1 1.0
CBJ A:9A5611 4.4 47.6 1.0
CD1 A:ILE439 4.4 38.5 1.0
CA A:PHE330 4.4 36.7 1.0
OH A:TYR442 4.7 39.6 1.0
CE1 A:PHE330 4.9 51.2 1.0
CE1 A:TYR334 4.9 35.9 1.0
SD A:MET436 4.9 39.2 1.0
CZ A:TYR442 4.9 38.0 1.0
NAW A:9A5611 4.9 45.1 1.0

Reference:

K.Chalupova, J.Korabecny, M.Bartolini, B.Monti, D.Lamba, R.Caliandro, A.Pesaresi, X.Brazzolotto, A.J.Gastellier, F.Nachon, J.Pejchal, M.Jarosova, V.Hepnarova, D.Jun, M.Hrabinova, R.Dolezal, J.Zdarova Karasova, M.Mzik, Z.Kristofikova, J.Misik, L.Muckova, P.Jost, O.Soukup, M.Benkova, V.Setnicka, L.Habartova, M.Chvojkova, L.Kleteckova, K.Vales, E.Mezeiova, E.Uliassi, M.Valis, E.Nepovimova, M.L.Bolognesi, K.Kuca. Novel Tacrine-Tryptophan Hybrids: Multi-Target Directed Ligands As Potential Treatment For Alzheimer'S Disease. Eur.J.Med.Chem. V. 168 491 2019.
ISSN: ISSN 0223-5234
PubMed: 30851693
DOI: 10.1016/J.EJMECH.2019.02.021
Page generated: Sat Dec 12 12:10:43 2020

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