Magnesium in PDB 6mxt: Crystal Structure of Human BETA2 Adrenergic Receptor Bound to Salmeterol and NB71

Enzymatic activity of Crystal Structure of Human BETA2 Adrenergic Receptor Bound to Salmeterol and NB71

All present enzymatic activity of Crystal Structure of Human BETA2 Adrenergic Receptor Bound to Salmeterol and NB71:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Human BETA2 Adrenergic Receptor Bound to Salmeterol and NB71, PDB code: 6mxt was solved by M.Masureel, Y.Zou, L.P.Picard, E.Van Der Westhuizen, J.P.Mahoney, J.P.G.L.M.Rodrigues, T.J.Mildorf, R.O.Dror, D.E.Shaw, M.Bouvier, E.Pardon, J.Steyaert, R.K.Sunahara, W.I.Weis, C.Zhang, B.K.Kobilka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.52 / 2.96
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 178.682, 52.589, 125.917, 90.00, 123.86, 90.00
R / Rfree (%) 20.5 / 24.5

Other elements in 6mxt:

The structure of Crystal Structure of Human BETA2 Adrenergic Receptor Bound to Salmeterol and NB71 also contains other interesting chemical elements:

Nickel (Ni) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human BETA2 Adrenergic Receptor Bound to Salmeterol and NB71 (pdb code 6mxt). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Human BETA2 Adrenergic Receptor Bound to Salmeterol and NB71, PDB code: 6mxt:

Magnesium binding site 1 out of 1 in 6mxt

Go back to Magnesium Binding Sites List in 6mxt
Magnesium binding site 1 out of 1 in the Crystal Structure of Human BETA2 Adrenergic Receptor Bound to Salmeterol and NB71


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 Human BETA2 Adrenergic Receptor Bound to Salmeterol and NB71 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1402

b:34.3
occ:1.00
 O A:CYS1190 2.3 44.1 1.0
OD1 A:ASN1103 2.5 65.8 1.0
O A:CYS1184 2.6 37.9 1.0
O A:GLU1187 2.6 57.2 1.0
O A:HOH1517 2.7 31.2 1.0
CG A:ASN1103 3.4 65.1 1.0
C A:CYS1190 3.5 42.9 1.0
O A:TYR1185 3.5 59.7 1.0
C A:CYS1184 3.7 40.4 1.0
C A:GLU1187 3.8 53.6 1.0
C A:TYR1185 3.8 51.2 1.0
CA A:TYR1185 3.9 42.5 1.0
ND2 A:ASN1103 4.1 68.4 1.0
N A:TYR1185 4.3 39.1 1.0
CA A:CYS1190 4.3 43.1 1.0
N A:CYS1190 4.3 45.3 1.0
N A:GLU1187 4.4 47.8 1.0
CB A:ASN1103 4.4 61.9 1.0
CB A:CYS1190 4.4 43.3 1.0
N A:CYS1191 4.5 44.6 1.0
CA A:GLU1187 4.6 49.0 1.0
CA A:ASN1103 4.6 59.5 1.0
N A:ALA1186 4.6 48.8 1.0
CA A:CYS1191 4.7 44.5 1.0
SG A:CYS1106 4.7 48.4 1.0
N A:GLU1188 4.7 56.7 1.0
SG A:CYS1184 4.8 81.7 1.0
CA A:GLU1188 4.8 56.0 1.0
CA A:CYS1184 4.9 41.6 1.0
C A:ALA1186 4.9 50.7 1.0
CB A:CYS1106 4.9 56.7 1.0

Reference:

M.Masureel, Y.Zou, L.P.Picard, E.Van Der Westhuizen, J.P.Mahoney, J.P.G.L.M.Rodrigues, T.J.Mildorf, R.O.Dror, D.E.Shaw, M.Bouvier, E.Pardon, J.Steyaert, R.K.Sunahara, W.I.Weis, C.Zhang, B.K.Kobilka. Structural Insights Into Binding Specificity, Efficacy and Bias of A BETA2AR Partial Agonist. Nat. Chem. Biol. V. 14 1059 2018.
ISSN: ESSN 1552-4469
PubMed: 30327561
DOI: 10.1038/S41589-018-0145-X
Page generated: Mon Dec 14 23:38:39 2020

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