Chlorine in PDB 4nzb: NS9283 Bound to Ls-Achbp

Protein crystallography data

The structure of NS9283 Bound to Ls-Achbp, PDB code: 4nzb was solved by J.A.Olsen, J.S.Kastrup, M.Gajhede, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.24 / 2.68
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 231.726, 140.381, 119.545, 90.00, 89.98, 90.00
R / Rfree (%) 20.7 / 24

Chlorine Binding Sites:

The binding sites of Chlorine atom in the NS9283 Bound to Ls-Achbp (pdb code 4nzb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the NS9283 Bound to Ls-Achbp, PDB code: 4nzb:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4nzb

Go back to Chlorine Binding Sites List in 4nzb
Chlorine binding site 1 out of 4 in the NS9283 Bound to Ls-Achbp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of NS9283 Bound to Ls-Achbp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:86.1
occ:1.00
OG A:SER68 3.7 90.8 1.0
ND1 A:HIS69 4.0 93.8 1.0
CE1 A:HIS69 4.3 92.0 1.0
CB A:SER68 4.8 80.2 1.0
CG A:HIS69 4.9 90.2 1.0

Chlorine binding site 2 out of 4 in 4nzb

Go back to Chlorine Binding Sites List in 4nzb
Chlorine binding site 2 out of 4 in the NS9283 Bound to Ls-Achbp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of NS9283 Bound to Ls-Achbp within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl302

b:69.2
occ:1.00
NE2 K:HIS146 3.3 48.0 1.0
OE2 K:GLU149 3.6 48.3 1.0
CE1 K:HIS146 4.0 50.4 1.0
NH2 L:ARG104 4.0 33.8 1.0
NH2 K:ARG148 4.2 77.5 1.0
N L:GLN73 4.4 46.8 1.0
OE2 K:GLU190 4.4 70.5 1.0
CD2 K:HIS146 4.5 49.9 1.0
CB L:GLN73 4.5 36.4 1.0
CD K:GLU149 4.5 47.6 1.0
N L:ASP72 4.6 45.9 1.0
O L:GLN73 4.6 44.0 1.0
NH2 L:ARG3 4.7 48.8 1.0
CG L:GLN73 4.8 34.9 1.0
CA L:GLN73 4.9 37.7 1.0
CB L:ASP72 4.9 43.5 1.0

Chlorine binding site 3 out of 4 in 4nzb

Go back to Chlorine Binding Sites List in 4nzb
Chlorine binding site 3 out of 4 in the NS9283 Bound to Ls-Achbp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of NS9283 Bound to Ls-Achbp within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl301

b:60.9
occ:1.00
NE1 L:TRP82 3.1 41.7 1.0
NE2 L:HIS145 3.2 39.0 1.0
CD1 L:TRP82 3.8 37.9 1.0
CD1 M:LEU102 3.9 27.2 1.0
CE1 L:HIS145 4.1 38.4 1.0
CD2 L:HIS145 4.2 39.3 1.0
CE2 L:TRP82 4.2 37.6 1.0
CB M:SER75 4.4 37.3 1.0
O L:ASP17 4.5 43.9 1.0
CZ2 L:TRP82 4.6 36.2 1.0
O L:VAL83 4.7 32.4 1.0
CD2 M:LEU102 4.9 33.2 1.0
O M:SER75 5.0 33.1 1.0
C L:ASP17 5.0 41.1 1.0
CB L:ILE19 5.0 39.4 1.0

Chlorine binding site 4 out of 4 in 4nzb

Go back to Chlorine Binding Sites List in 4nzb
Chlorine binding site 4 out of 4 in the NS9283 Bound to Ls-Achbp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of NS9283 Bound to Ls-Achbp within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Cl301

b:54.3
occ:1.00
N N:GLN101 3.3 44.8 1.0
CB N:GLN101 3.9 44.2 1.0
CG N:GLN101 4.0 44.3 1.0
CA N:PRO100 4.1 46.5 1.0
CA N:GLN101 4.2 44.2 1.0
C N:PRO100 4.2 50.0 1.0
CB N:PRO100 4.8 45.8 1.0
C N:GLN101 4.9 42.6 1.0

Reference:

J.A.Olsen, P.K.Ahring, J.S.Kastrup, M.Gajhede, T.Balle. Structural and Functional Studies of the Modulator NS9283 Reveal Agonist-Like Mechanism of Action at ALPHA4BETA2 Nicotinic Acetylcholine Receptors J.Biol.Chem. 2014.
ISSN: ESSN 1083-351X
DOI: 10.1074/JBC.M114.568097
Page generated: Sat Dec 12 10:59:47 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy