Magnesium in PDB 6q7p: Crystal Structure of OE1.2

Protein crystallography data

The structure of Crystal Structure of OE1.2, PDB code: 6q7p was solved by C.W.Levy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.49 / 1.96
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 33.980, 71.310, 52.890, 90.00, 105.28, 90.00
R / Rfree (%) 17.2 / 21.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of OE1.2 (pdb code 6q7p). 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 OE1.2, PDB code: 6q7p:

Magnesium binding site 1 out of 1 in 6q7p

Go back to Magnesium Binding Sites List in 6q7p
Magnesium binding site 1 out of 1 in the Crystal Structure of OE1.2


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 OE1.2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg305

b:32.5
occ:1.00
OD1 A:ASP180 2.0 33.7 1.0
OD2 A:ASP8 2.0 29.4 1.0
O A:HOH444 2.0 26.9 1.0
O A:LEU10 2.1 32.3 1.0
O A:HOH442 2.1 29.9 1.0
O A:HOH463 2.2 34.0 1.0
CG A:ASP180 2.9 34.5 1.0
CG A:ASP8 3.0 27.7 1.0
OD2 A:ASP180 3.3 36.5 1.0
OD1 A:ASP8 3.3 26.9 1.0
C A:LEU10 3.3 32.8 1.0
HG1 A:THR12 3.4 32.0 1.0
H A:ASP180 3.6 31.8 1.0
HB3 A:LEU10 3.7 41.4 1.0
HA3 A:GLY11 3.9 37.9 1.0
O2 A:SO4303 4.1 47.2 0.9
CA A:LEU10 4.1 31.4 1.0
N A:LEU10 4.1 27.8 1.0
O3 A:SO4303 4.1 50.5 0.9
H A:LEU10 4.1 33.3 1.0
OG1 A:THR12 4.2 26.7 1.0
OD2 A:ASP185 4.2 30.4 1.0
CB A:ASP180 4.3 33.5 1.0
CB A:ASP8 4.3 26.4 1.0
N A:GLY11 4.3 31.0 1.0
CB A:LEU10 4.3 34.5 1.0
HB3 A:ASP8 4.3 31.6 1.0
N A:ASP180 4.4 26.5 1.0
H A:THR12 4.4 33.0 1.0
H A:SER9 4.4 26.2 1.0
O A:HOH406 4.5 52.1 1.0
CA A:GLY11 4.5 31.6 1.0
HB2 A:ASN181 4.5 29.4 1.0
HB3 A:ASP180 4.5 40.2 1.0
HG A:LEU10 4.5 45.5 1.0
S A:SO4303 4.6 46.5 0.9
H A:ASN181 4.6 34.7 1.0
C A:SER9 4.6 26.3 1.0
N A:THR12 4.7 27.5 1.0
HB2 A:ASP8 4.7 31.6 1.0
HZ1 A:LYS155 4.7 36.8 1.0
O1 A:SO4303 4.8 46.5 0.9
C A:GLY11 4.8 32.4 1.0
CA A:ASP180 4.8 30.5 1.0
N A:SER9 4.9 21.9 1.0
N A:ASN181 4.9 28.9 1.0
HB A:THR12 4.9 33.7 1.0
HB2 A:ASP180 5.0 40.2 1.0
CG A:LEU10 5.0 37.9 1.0
O A:SER9 5.0 27.3 1.0

Reference:

A.J.Burke, S.L.Lovelock, A.Frese, R.Crawshaw, M.Ortmayer, M.Dunstan, C.Levy, A.P.Green. Design and Evolution of An Enzyme with A Non-Canonical Organocatalytic Mechanism. Nature V. 570 219 2019.
ISSN: ESSN 1476-4687
PubMed: 31132786
DOI: 10.1038/S41586-019-1262-8
Page generated: Mon Dec 14 23:51:41 2020

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