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Chlorine in PDB 1a2a: Agkistrotoxin, A Phospholipase A2-Type Presynaptic Neurotoxin From Agkistrodon Halys Pallas

Enzymatic activity of Agkistrotoxin, A Phospholipase A2-Type Presynaptic Neurotoxin From Agkistrodon Halys Pallas

All present enzymatic activity of Agkistrotoxin, A Phospholipase A2-Type Presynaptic Neurotoxin From Agkistrodon Halys Pallas:
3.1.1.4;

Protein crystallography data

The structure of Agkistrotoxin, A Phospholipase A2-Type Presynaptic Neurotoxin From Agkistrodon Halys Pallas, PDB code: 1a2a was solved by L.Tang, Y.Zhou, Z.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 108.950, 85.227, 71.054, 90.00, 109.66, 90.00
R / Rfree (%) 20.7 / 28.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Agkistrotoxin, A Phospholipase A2-Type Presynaptic Neurotoxin From Agkistrodon Halys Pallas (pdb code 1a2a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Agkistrotoxin, A Phospholipase A2-Type Presynaptic Neurotoxin From Agkistrodon Halys Pallas, PDB code: 1a2a:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1a2a

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Chlorine binding site 1 out of 4 in the Agkistrotoxin, A Phospholipase A2-Type Presynaptic Neurotoxin From Agkistrodon Halys Pallas


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Agkistrotoxin, A Phospholipase A2-Type Presynaptic Neurotoxin From Agkistrodon Halys Pallas within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl200

b:5.5
occ:1.00
 NH2 A:ARG108 3.2 15.7 1.0
CG D:GLN4 3.4 19.2 1.0
NE2 D:GLN4 3.4 23.7 1.0
OH D:TYR75 3.6 19.0 1.0
CE1 D:TYR75 3.9 14.3 1.0
CD D:GLN4 4.0 18.7 1.0
CZ D:TYR75 4.1 6.6 1.0
CZ A:ARG108 4.4 25.4 1.0
NZ D:LYS7 4.5 33.4 1.0
CB D:GLN4 4.8 11.3 1.0
NH1 A:ARG108 4.8 25.0 1.0
CD D:LYS7 4.8 26.3 1.0
CA B:GLU79 4.8 3.4 1.0
N B:GLY80 5.0 8.0 1.0
CD1 D:TYR75 5.0 10.8 1.0

Chlorine binding site 2 out of 4 in 1a2a

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Chlorine binding site 2 out of 4 in the Agkistrotoxin, A Phospholipase A2-Type Presynaptic Neurotoxin From Agkistrodon Halys Pallas


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Agkistrotoxin, A Phospholipase A2-Type Presynaptic Neurotoxin From Agkistrodon Halys Pallas within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl400

b:6.9
occ:1.00
 NH2 C:ARG108 3.1 34.5 1.0
NE2 B:GLN4 3.8 3.6 1.0
OH B:TYR75 3.9 16.3 1.0
CG B:GLN4 4.0 6.8 1.0
NZ B:LYS7 4.1 44.1 1.0
N D:GLY80 4.3 18.1 1.0
CE1 B:TYR75 4.3 9.0 1.0
CZ C:ARG108 4.4 36.0 1.0
CA D:GLU79 4.4 15.1 1.0
C D:GLU79 4.4 14.9 1.0
CD B:GLN4 4.4 2.0 1.0
CZ B:TYR75 4.5 11.9 1.0
CD B:LYS7 4.7 27.3 1.0
N D:GLU79 4.9 13.6 1.0
CA D:GLY80 5.0 13.1 1.0

Chlorine binding site 3 out of 4 in 1a2a

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Chlorine binding site 3 out of 4 in the Agkistrotoxin, A Phospholipase A2-Type Presynaptic Neurotoxin From Agkistrodon Halys Pallas


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Agkistrotoxin, A Phospholipase A2-Type Presynaptic Neurotoxin From Agkistrodon Halys Pallas within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl600

b:2.0
occ:1.00
 NH2 E:ARG108 3.1 17.7 1.0
NE2 H:GLN4 3.5 13.8 1.0
CG H:GLN4 3.7 22.3 1.0
OH H:TYR75 3.7 8.7 1.0
CD H:GLN4 4.1 16.4 1.0
CE1 H:TYR75 4.1 2.5 1.0
CZ H:TYR75 4.3 9.2 1.0
CZ E:ARG108 4.3 16.5 1.0
NZ H:LYS7 4.4 42.4 1.0
NH1 E:ARG108 4.7 16.6 1.0
CD H:LYS7 4.9 31.3 1.0

Chlorine binding site 4 out of 4 in 1a2a

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Chlorine binding site 4 out of 4 in the Agkistrotoxin, A Phospholipase A2-Type Presynaptic Neurotoxin From Agkistrodon Halys Pallas


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Agkistrotoxin, A Phospholipase A2-Type Presynaptic Neurotoxin From Agkistrodon Halys Pallas within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl800

b:4.2
occ:1.00
 NH2 G:ARG108 3.1 17.6 1.0
OH F:TYR75 3.3 2.4 1.0
CG F:GLN4 3.6 11.8 1.0
NE2 F:GLN4 3.6 15.1 1.0
CE1 F:TYR75 3.7 8.8 1.0
CZ F:TYR75 3.9 2.0 1.0
CD F:GLN4 4.1 10.5 1.0
CZ G:ARG108 4.3 19.9 1.0
NZ F:LYS7 4.3 54.3 1.0
NH1 G:ARG108 4.6 23.9 1.0
CD F:LYS7 4.7 34.5 1.0
CA H:GLU79 4.9 8.1 1.0
CD1 F:TYR75 4.9 2.0 1.0
CB F:GLN4 4.9 10.9 1.0

Reference:

L.Tang, Y.C.Zhou, Z.J.Lin. Crystal Structure of Agkistrodotoxin, A Phospholipase A2-Type Presynaptic Neurotoxin From Agkistrodon Halys Pallas. J.Mol.Biol. V. 282 1 1998.
ISSN: ISSN 0022-2836
PubMed: 9733637
DOI: 10.1006/JMBI.1998.1987
Page generated: Fri Jul 19 20:55:10 2024

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