Magnesium in PDB 4alx: Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe

Protein crystallography data

The structure of Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe, PDB code: 4alx was solved by A.Shahsavar, J.S.Kastrup, E.O.Nielsen, J.L.Kristensen, M.Gajhede, T.Balle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.16 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 119.249, 121.308, 152.074, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 25

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe (pdb code 4alx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe, PDB code: 4alx:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 4alx

Go back to Magnesium Binding Sites List in 4alx
Magnesium binding site 1 out of 6 in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1207

b:51.2
occ:1.00
OD2 B:ASP2 2.6 52.0 1.0
OD2 I:ASP2 2.7 56.6 1.0
O B:HOH2058 2.9 43.8 1.0
CG B:ASP2 3.3 41.6 1.0
OD1 B:ASP2 3.6 46.8 1.0
CG I:ASP2 3.6 42.7 1.0
OD2 B:ASP5 3.7 50.9 1.0
OD1 I:ASP2 4.1 46.5 1.0
OD1 B:ASP5 4.2 49.1 1.0
CG B:ASP5 4.3 43.5 1.0
CB B:ASP2 4.5 32.3 1.0
OD2 I:ASP5 4.7 49.0 1.0
CB I:ASP2 4.8 40.0 1.0

Magnesium binding site 2 out of 6 in 4alx

Go back to Magnesium Binding Sites List in 4alx
Magnesium binding site 2 out of 6 in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1205

b:62.5
occ:1.00
O D:HOH2086 2.9 32.2 1.0
O D:HOH2087 3.2 38.3 1.0
O D:TYR164 3.4 30.8 1.0
O C:HOH2058 3.4 40.8 1.0
CG2 D:ILE36 3.9 20.4 1.0
O C:TYR89 4.2 25.6 1.0
O C:HOH2018 4.4 40.9 1.0
C D:TYR164 4.5 26.7 1.0
CZ2 D:TRP53 4.8 23.8 1.0
C C:TYR89 4.9 25.1 1.0
CB D:TYR164 4.9 23.7 1.0
CH2 D:TRP53 4.9 23.2 1.0
O C:HOH2051 4.9 33.4 1.0
CB C:ASN90 5.0 22.1 1.0

Magnesium binding site 3 out of 6 in 4alx

Go back to Magnesium Binding Sites List in 4alx
Magnesium binding site 3 out of 6 in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1206

b:46.0
occ:1.00
O D:HOH2088 2.7 40.9 1.0
OG D:SER162 3.8 30.4 1.0
O D:SER162 3.8 34.9 1.0
OD2 D:ASP160 4.0 35.1 1.0
O D:GLU163 4.1 29.4 1.0
C D:SER162 4.3 27.9 1.0
O D:HOH2071 4.4 33.9 1.0
CA D:GLU163 4.4 23.0 1.0
N D:GLU163 4.6 34.2 1.0
C D:GLU163 4.6 22.3 1.0
CB D:SER162 4.8 30.2 1.0
CG D:ASP160 4.9 36.2 1.0
OD1 D:ASP160 4.9 44.6 1.0

Magnesium binding site 4 out of 6 in 4alx

Go back to Magnesium Binding Sites List in 4alx
Magnesium binding site 4 out of 6 in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg1207

b:60.9
occ:1.00
OD2 F:ASP108 2.7 52.1 1.0
O F:HOH2053 3.1 43.9 1.0
CG F:ASP108 3.8 38.6 1.0
OE1 F:GLU110 4.2 54.4 1.0
OD1 F:ASP108 4.3 36.8 1.0
O F:HOH2009 4.7 37.6 1.0
CD F:GLU110 5.0 56.4 1.0

Magnesium binding site 5 out of 6 in 4alx

Go back to Magnesium Binding Sites List in 4alx
Magnesium binding site 5 out of 6 in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg1208

b:58.0
occ:1.00
OD2 F:ASP2 2.8 58.6 1.0
O E:HOH2001 2.9 48.2 1.0
OD2 E:ASP2 2.9 52.5 1.0
CG F:ASP2 3.4 45.9 1.0
O E:HOH2003 3.5 41.5 1.0
OD1 F:ASP2 3.6 41.6 1.0
OD2 F:ASP5 3.7 54.3 1.0
CG E:ASP2 3.9 44.4 1.0
OD1 F:ASP5 3.9 40.9 1.0
CG F:ASP5 4.1 44.4 1.0
OD1 E:ASP2 4.2 45.5 1.0
OD2 E:ASP5 4.5 44.0 1.0
OD1 E:ASP5 4.7 44.4 1.0
CB F:ASP2 4.7 32.2 1.0
CG E:ASP5 5.0 42.6 1.0

Magnesium binding site 6 out of 6 in 4alx

Go back to Magnesium Binding Sites List in 4alx
Magnesium binding site 6 out of 6 in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mg1207

b:56.4
occ:1.00
O J:HOH2001 2.8 44.2 1.0
OD2 J:ASP2 2.9 52.5 1.0
OD2 A:ASP2 2.9 58.6 1.0
OD2 J:ASP5 3.1 48.3 1.0
O J:HOH2003 3.3 39.1 1.0
CG J:ASP2 3.3 37.0 1.0
OD1 J:ASP2 3.5 45.7 1.0
CG J:ASP5 3.8 43.3 1.0
OD1 J:ASP5 3.8 42.1 1.0
CG A:ASP2 4.0 41.3 1.0
CB J:ASP2 4.4 33.8 1.0
OD1 A:ASP2 4.5 47.3 1.0
N J:ASP2 5.0 37.6 1.0

Reference:

A.Shahsavar, J.S.Kastrup, E.O.Nielsen, J.L.Kristensen, M.Gajhede, T.Balle. Crystal Structure of Lymnaea Stagnalis Achbp Complexed with the Potent Nachr Antagonist Dh-Betab-E Suggests A Unique Mode of Antagonism Plos One V. 7 40757 2012.
ISSN: ESSN 1932-6203
PubMed: 22927902
DOI: 10.1371/JOURNAL.PONE.0040757
Page generated: Mon Dec 14 09:08:16 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy