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Chlorine in PDB 2vjd: Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset C at 150K

Enzymatic activity of Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset C at 150K

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 C at 150K:
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 C at 150K, PDB code: 2vjd 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) 45.99 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.980, 107.540, 151.330, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 25

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 C at 150K (pdb code 2vjd). 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 C at 150K, PDB code: 2vjd:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2vjd

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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 C at 150K


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 C at 150K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1538

b:66.7
occ:1.00
 O A:HOH2062 2.5 47.9 1.0
O A:HOH2727 3.1 66.1 1.0
NZ A:LYS133 3.4 32.8 1.0
OH A:TYR134 3.7 34.3 1.0
CE A:LYS133 4.2 33.4 1.0
CE2 A:TYR134 4.2 33.7 1.0
CZ A:TYR134 4.4 33.7 1.0
N A:LEU23 4.6 49.8 1.0
O A:PRO21 4.7 47.6 1.0
CA A:VAL22 4.8 48.6 1.0
OE1 A:GLU455 4.8 65.4 1.0
CG2 A:VAL453 5.0 46.1 1.0

Chlorine binding site 2 out of 4 in 2vjd

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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 C at 150K


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 C at 150K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1539

b:85.1
occ:1.00
 O A:HOH2233 2.6 70.4 1.0
O A:HOH2247 2.8 83.8 1.0
O A:HOH2093 2.8 62.0 1.0
O A:HOH2250 2.8 65.4 1.0
O A:HOH2234 2.9 79.8 1.0
O A:HOH2099 3.1 71.1 1.0
CA A:ARG88 3.8 38.3 1.0
O A:HOH2097 3.8 64.7 1.0
N A:ARG88 3.9 36.1 1.0
C A:ASN87 4.0 35.3 1.0
O A:ASN87 4.1 37.0 1.0
C A:ARG88 4.2 38.4 1.0
N A:GLU89 4.5 38.5 1.0
O A:HOH2100 4.6 62.1 1.0
O A:ARG88 4.7 37.9 1.0
O A:HOH2241 4.7 49.2 1.0
CA A:ASN87 4.8 33.2 1.0
O A:PRO86 4.9 31.2 1.0

Chlorine binding site 3 out of 4 in 2vjd

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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 C at 150K


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 C at 150K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1540

b:70.8
occ:1.00
 O A:HOH2055 3.0 56.4 1.0
O A:HOH2060 3.3 72.8 1.0
O A:HOH2777 3.4 52.0 1.0
N A:THR497 3.6 37.9 1.0
OG1 A:THR497 3.8 39.9 1.0
CB A:THR496 3.9 36.7 1.0
CA A:THR496 4.0 37.0 1.0
CB A:THR497 4.3 40.2 1.0
O A:HOH2855 4.3 50.2 1.0
CG2 A:THR412 4.3 30.6 1.0
C A:THR496 4.4 37.3 1.0
CG2 A:THR496 4.4 35.1 1.0
CA A:THR497 4.6 40.8 1.0
O A:HOH2688 4.6 33.4 1.0
O A:THR412 4.6 32.2 1.0
O A:HOH2026 4.9 56.1 1.0

Chlorine binding site 4 out of 4 in 2vjd

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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 C at 150K


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 C at 150K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1542

b:64.3
occ:1.00
 O B:HOH2567 2.7 58.1 1.0
O B:HOH2566 2.8 54.9 1.0
O B:HOH2694 2.9 90.7 1.0
O B:HOH2702 2.9 54.2 1.0
ND2 B:ASN525 3.3 26.9 1.0
O B:HOH2563 3.4 38.9 1.0
CB B:CYS521 3.8 33.2 1.0
ND2 B:ASN409 4.1 29.4 1.0
CB B:MET405 4.3 23.9 1.0
CG B:ASN525 4.3 28.5 1.0
O B:CYS521 4.3 33.1 1.0
C B:CYS521 4.4 32.1 1.0
CB B:ASN525 4.6 29.5 1.0
N B:HIS406 4.6 27.1 1.0
C B:MET405 4.7 26.7 1.0
CA B:CYS521 4.7 33.1 1.0
CA B:HIS406 4.8 27.0 1.0
O B:MET405 4.9 26.8 1.0
N B:VAL522 4.9 30.2 1.0
O B:HOH2663 4.9 62.0 1.0
O B:HOH2692 5.0 33.6 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 11:56:14 2024

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