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

Go back to

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

Go back to

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

Go back to

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

Go back to

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: Fri Jul 19 20:55:10 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW

	© Copyright 2008-2020 by atomistry.com
Home \| Site Map \| Copyright \| Contact us \| Privacy