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Chlorine in PDB 2y1k: Structure of Human Butyrylcholinesterase Inhibited By Cbdp (12H Soak): Phosphoserine Adduct

Enzymatic activity of Structure of Human Butyrylcholinesterase Inhibited By Cbdp (12H Soak): Phosphoserine Adduct

All present enzymatic activity of Structure of Human Butyrylcholinesterase Inhibited By Cbdp (12H Soak): Phosphoserine Adduct:
3.1.1.8;

Protein crystallography data

The structure of Structure of Human Butyrylcholinesterase Inhibited By Cbdp (12H Soak): Phosphoserine Adduct, PDB code: 2y1k was solved by E.Carletti, J.P.Colletier, F.Nachon, M.Weik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.38 / 2.50
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 153.770, 153.770, 127.600, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 24.7

Other elements in 2y1k:

The structure of Structure of Human Butyrylcholinesterase Inhibited By Cbdp (12H Soak): Phosphoserine Adduct also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human Butyrylcholinesterase Inhibited By Cbdp (12H Soak): Phosphoserine Adduct (pdb code 2y1k). 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 Structure of Human Butyrylcholinesterase Inhibited By Cbdp (12H Soak): Phosphoserine Adduct, PDB code: 2y1k:

Chlorine binding site 1 out of 1 in 2y1k

Go back to Chlorine Binding Sites List in 2y1k
Chlorine binding site 1 out of 1 in the Structure of Human Butyrylcholinesterase Inhibited By Cbdp (12H Soak): Phosphoserine Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Butyrylcholinesterase Inhibited By Cbdp (12H Soak): Phosphoserine Adduct within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:73.3
occ:1.00
 O A:HOH920 2.2 76.7 1.0
CG2 A:THR508 3.0 82.7 1.0
O A:HOH841 3.2 52.6 1.0
N A:THR488 3.7 80.0 1.0
OG1 A:THR508 3.8 78.5 1.0
CA A:SER487 4.0 81.7 1.0
CB A:THR508 4.0 72.9 1.0
CB A:SER487 4.0 72.9 1.0
CB A:THR488 4.3 70.7 1.0
C A:SER487 4.4 83.7 1.0
OG1 A:THR488 4.5 79.5 1.0
OG A:SER487 4.6 76.8 1.0
CA A:THR488 4.6 71.2 1.0
O A:HOH919 4.7 62.1 1.0
NH2 A:ARG470 4.9 49.1 1.0

Reference:

E.Carletti, L.M.Schopfer, J.P.Colletier, M.T.Froment, F.Nachon, M.Weik, O.Lockridge, P.Masson. Reaction of Cresyl Saligenin Phosphate, the Organophosphorus Agent Implicated in Aerotoxic Syndrome, with Human Cholinesterases: Mechanistic Studies Employing Kinetics, Mass Spectrometry, and X-Ray Structure Analysis. Chem.Res.Toxicol. V. 24 797 2011.
ISSN: ISSN 0893-228X
PubMed: 21438623
DOI: 10.1021/TX100447K
Page generated: Sat Jul 20 14:22:21 2024

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