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Xenon in PDB 3m3d: Crystal Structure of Acetylcholinesterase in Complex with Xenon

Enzymatic activity of Crystal Structure of Acetylcholinesterase in Complex with Xenon

All present enzymatic activity of Crystal Structure of Acetylcholinesterase in Complex with Xenon:
3.1.1.7;

Protein crystallography data

The structure of Crystal Structure of Acetylcholinesterase in Complex with Xenon, PDB code: 3m3d was solved by J.Behnen, B.Brumshtein, L.Toker, I.Silman, J.L.Sussman, G.Klebe, A.Heine, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.34
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 111.769, 111.769, 137.232, 90.00, 90.00, 120.00
R / Rfree (%) n/a / 20

Xenon Binding Sites:

The binding sites of Xenon atom in the Crystal Structure of Acetylcholinesterase in Complex with Xenon (pdb code 3m3d). This binding sites where shown within 5.0 Angstroms radius around Xenon atom.
In total 2 binding sites of Xenon where determined in the Crystal Structure of Acetylcholinesterase in Complex with Xenon, PDB code: 3m3d:
Jump to Xenon binding site number: 1; 2;

Xenon binding site 1 out of 2 in 3m3d

Go back to Xenon Binding Sites List in 3m3d
Xenon binding site 1 out of 2 in the Crystal Structure of Acetylcholinesterase in Complex with Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 1 of Crystal Structure of Acetylcholinesterase in Complex with Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Xe601

b:63.4
occ:0.33
CD2 A:LEU373 3.7 45.9 1.0
CE2 A:PHE527 4.0 32.4 1.0
OE1 A:GLN374 4.0 60.5 1.0
CD2 A:PHE527 4.4 32.1 1.0
CZ A:PHE527 4.5 33.1 1.0
CG A:GLN374 4.5 52.9 1.0
CD A:GLN374 4.6 53.0 1.0
CB A:ALA370 4.7 35.0 1.0
O A:ALA370 4.8 37.8 1.0
CE1 A:PHE523 4.9 42.3 1.0
CA A:ALA370 4.9 35.8 1.0
CD1 A:PHE523 4.9 40.0 1.0

Xenon binding site 2 out of 2 in 3m3d

Go back to Xenon Binding Sites List in 3m3d
Xenon binding site 2 out of 2 in the Crystal Structure of Acetylcholinesterase in Complex with Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 2 of Crystal Structure of Acetylcholinesterase in Complex with Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Xe602

b:44.7
occ:0.52
CH2 A:TRP473 3.5 38.1 1.0
CZ2 A:TRP473 3.7 36.6 1.0
CD1 A:LEU505 3.9 43.0 1.0
CG A:GLU443 3.9 31.4 1.0
CB A:GLU443 3.9 32.2 1.0
CD1 A:PHE423 3.9 33.8 1.0
CE1 A:TYR421 4.0 40.0 1.0
CG2 A:VAL447 4.0 35.6 1.0
CZ A:TYR421 4.1 37.5 1.0
CD1 A:ILE469 4.1 33.0 1.0
OH A:TYR421 4.2 35.7 1.0
CG2 A:ILE469 4.3 38.1 1.0
CG A:PHE423 4.4 34.8 1.0
CG1 A:ILE469 4.4 34.0 1.0
CB A:PHE423 4.4 35.3 1.0
CZ3 A:TRP473 4.5 41.4 1.0
CD1 A:TYR421 4.5 38.5 1.0
CE1 A:PHE423 4.5 30.1 1.0
CE2 A:TYR421 4.7 33.9 1.0
O A:GLU443 4.7 38.7 1.0
CE2 A:TRP473 4.8 38.3 1.0
CA A:GLU443 4.9 33.5 1.0
CB A:ILE469 5.0 38.2 1.0

Reference:

J.Behnen, H.Krueger, B.Brumshtein, L.Toker, I.Silman, J.L.Sussman, G.Klebe, A.Heine. Old Acquantance Rediscover; Use of Xenon/Protein Complexes As A Generic Tool For Sad Phasing of Inhouse Data To Be Published.
Page generated: Wed Dec 16 02:39:48 2020

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