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Chlorine in PDB 2vja: Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset A at 100K

Enzymatic activity of Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset A at 100K

All present enzymatic activity of Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset A at 100K:
3.1.1.7;

Protein crystallography data

The structure of Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset A at 100K, PDB code: 2vja was solved by J.P.Colletier, D.Bourgeois, D.Fournier, I.Silman, J.L.Sussman, M.Weik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.41 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.820, 107.570, 151.160, 90.00, 90.00, 90.00
R / Rfree (%) 19.5 / 25.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset A at 100K (pdb code 2vja). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset A at 100K, PDB code: 2vja:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2vja

Go back to Chlorine Binding Sites List in 2vja
Chlorine binding site 1 out of 4 in the Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset A at 100K


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 Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset A at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1538

b:68.5
occ:1.00
 O A:HOH2062 2.5 63.7 1.0
O A:HOH2721 3.0 52.1 1.0
NZ A:LYS133 3.6 29.4 1.0
OH A:TYR134 3.7 28.2 1.0
CE A:LYS133 4.1 29.4 1.0
CE2 A:TYR134 4.3 26.5 1.0
N A:LEU23 4.4 46.6 1.0
CZ A:TYR134 4.5 27.1 1.0
CA A:VAL22 4.5 44.6 1.0
O A:PRO21 4.7 44.2 1.0

Chlorine binding site 2 out of 4 in 2vja

Go back to Chlorine Binding Sites List in 2vja
Chlorine binding site 2 out of 4 in the Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset A at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset A at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1539

b:60.0
occ:1.00
 O A:HOH2058 3.2 48.3 1.0
O A:HOH2027 3.3 67.2 1.0
O A:HOH2773 3.6 48.1 1.0
N A:THR497 3.6 36.4 1.0
OG1 A:THR497 3.8 37.1 1.0
CB A:THR496 4.0 36.5 1.0
CA A:THR496 4.1 35.4 1.0
O A:HOH2839 4.1 41.6 1.0
CB A:THR497 4.2 38.3 1.0
CG2 A:THR412 4.3 30.0 1.0
C A:THR496 4.4 35.5 1.0
O A:HOH2686 4.5 26.6 1.0
CG2 A:THR496 4.5 35.3 1.0
CA A:THR497 4.6 38.5 1.0
O A:THR412 4.6 29.5 1.0
O A:HOH2028 4.7 49.1 1.0
O A:HOH2769 5.0 26.4 1.0

Chlorine binding site 3 out of 4 in 2vja

Go back to Chlorine Binding Sites List in 2vja
Chlorine binding site 3 out of 4 in the Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset A at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset A at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1543

b:88.6
occ:1.00
 O A:HOH2239 2.7 63.2 1.0
O A:HOH2240 2.8 72.0 1.0
O A:HOH2253 2.9 73.7 1.0
O A:HOH2236 2.9 61.0 1.0
O A:HOH2252 2.9 71.3 1.0
O A:HOH2254 3.1 62.4 1.0
O A:HOH2102 3.4 64.9 1.0
CA A:ARG88 4.1 35.6 1.0
O A:ASN87 4.2 33.4 1.0
N A:ARG88 4.2 32.8 1.0
C A:ASN87 4.2 32.0 1.0
C A:ARG88 4.5 35.7 1.0
O A:HOH2248 4.7 53.9 1.0
N A:GLU89 4.8 35.2 1.0
O A:HOH2101 4.9 48.6 1.0

Chlorine binding site 4 out of 4 in 2vja

Go back to Chlorine Binding Sites List in 2vja
Chlorine binding site 4 out of 4 in the Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset A at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset A at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1538

b:59.3
occ:1.00
 O B:HOH2572 2.6 58.6 1.0
O B:HOH2573 2.7 64.7 1.0
O B:HOH2704 2.7 78.4 1.0
O B:HOH2710 3.2 64.8 1.0
O B:HOH2570 3.2 29.8 1.0
ND2 B:ASN525 3.3 26.7 1.0
ND2 B:ASN409 3.8 31.5 1.0
CB B:CYS521 4.2 26.2 1.0
CB B:MET405 4.2 23.5 1.0
CG B:ASN525 4.4 26.5 1.0
C B:MET405 4.5 25.0 1.0
N B:HIS406 4.5 24.1 1.0
O B:MET405 4.5 25.3 1.0
O B:CYS521 4.6 28.4 1.0
CA B:HIS406 4.6 23.9 1.0
O B:HOH2670 4.7 61.4 1.0
CB B:ASN525 4.7 27.0 1.0
C B:CYS521 4.7 28.0 1.0
CG B:ASN409 4.9 32.9 1.0
O B:HOH2711 4.9 54.5 1.0

Reference:

J.P.Colletier, D.Bourgeois, B.Sanson, D.Fournier, J.L.Sussman, I.Silman, M.Weik. Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics By Temperature-Controlled Cryo-Crystallography. Proc.Natl.Acad.Sci.Usa V. 105 11742 2008.
ISSN: ISSN 0027-8424
PubMed: 18701720
DOI: 10.1073/PNAS.0804828105
Page generated: Sat Jul 20 11:54:44 2024

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