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 / R_free (%)*	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 Sites List in 1a2a

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 Sites List in 1a2a

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 Sites List in 1a2a

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 Sites List in 1a2a

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: Thu Jul 10 16:14:34 2025

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