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Magnesium in PDB 4lnc: Neutron Structure of the Cyclic Glucose Bound Xylose Isomerase E186Q Mutant

Enzymatic activity of Neutron Structure of the Cyclic Glucose Bound Xylose Isomerase E186Q Mutant

All present enzymatic activity of Neutron Structure of the Cyclic Glucose Bound Xylose Isomerase E186Q Mutant:
5.3.1.5;

Protein crystallography data

The structure of Neutron Structure of the Cyclic Glucose Bound Xylose Isomerase E186Q Mutant, PDB code: 4lnc was solved by P.Munshi, F.Meilleur, D.Myles, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.19
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 93.970, 99.520, 102.920, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 20.9

Other elements in 4lnc:

The structure of Neutron Structure of the Cyclic Glucose Bound Xylose Isomerase E186Q Mutant also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Neutron Structure of the Cyclic Glucose Bound Xylose Isomerase E186Q Mutant (pdb code 4lnc). 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 Neutron Structure of the Cyclic Glucose Bound Xylose Isomerase E186Q Mutant, PDB code: 4lnc:

Magnesium binding site 1 out of 1 in 4lnc

Go back to Magnesium Binding Sites List in 4lnc
Magnesium binding site 1 out of 1 in the Neutron Structure of the Cyclic Glucose Bound Xylose Isomerase E186Q Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Neutron Structure of the Cyclic Glucose Bound Xylose Isomerase E186Q Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg404

b:16.8
occ:0.75
MN A:MN403 0.3 18.4 0.2
OE1 A:GLU217 1.8 27.7 1.0
OD2 A:ASP287 2.1 18.2 1.0
OE2 A:GLU181 2.1 29.2 1.0
O4 A:GLC401 2.1 26.6 1.0
O3 A:GLC401 2.3 32.2 1.0
OD2 A:ASP245 2.5 21.4 1.0
DO4 A:GLC401 2.8 26.6 1.0
DO3 A:GLC401 2.9 23.9 0.3
HO3 A:GLC401 2.9 23.9 0.7
CD A:GLU217 3.0 17.5 1.0
C4 A:GLC401 3.1 27.8 1.0
CD A:GLU181 3.1 24.6 1.0
C3 A:GLC401 3.1 28.2 1.0
CG A:ASP287 3.2 16.8 1.0
H3 A:GLC401 3.3 29.2 1.0
HE1 A:HIS220 3.4 21.0 1.0
OE1 A:GLU181 3.4 22.0 1.0
H4 A:GLC401 3.4 25.8 1.0
HB3 A:ASP287 3.5 19.6 1.0
HB2 A:GLU217 3.5 16.0 1.0
O A:DOD755 3.6 29.5 1.0
CG A:ASP245 3.6 24.1 1.0
CB A:ASP287 3.8 13.3 1.0
OE2 A:GLU217 3.8 20.6 1.0
D1 A:DOD755 3.8 29.3 1.0
HG3 A:GLU217 3.9 15.2 1.0
HB3 A:ASP245 3.9 16.7 1.0
CE1 A:HIS220 3.9 14.7 1.0
CG A:GLU217 3.9 12.2 1.0
HB2 A:ASP287 3.9 20.7 1.0
HB2 A:ASP245 4.1 17.8 1.0
CB A:ASP245 4.1 12.0 1.0
CB A:GLU217 4.2 14.7 1.0
OD1 A:ASP287 4.3 15.3 1.0
DE2 A:HIS220 4.3 20.8 0.9
HE2 A:HIS220 4.3 20.8 0.1
NE2 A:HIS220 4.4 16.9 1.0
D2 A:DOD755 4.4 30.2 1.0
HO2 A:GLC401 4.4 24.0 0.3
DO2 A:GLC401 4.4 24.0 0.7
CG A:GLU181 4.4 16.4 1.0
D2 A:DOD581 4.5 28.2 1.0
HB3 A:GLU217 4.5 14.4 1.0
C5 A:GLC401 4.5 32.1 1.0
C2 A:GLC401 4.5 36.5 1.0
O6 A:GLC401 4.6 36.0 1.0
H5 A:GLC401 4.6 24.1 1.0
HG2 A:GLU181 4.6 18.9 1.0
OD1 A:ASP245 4.6 18.3 1.0
MN A:MN402 4.6 25.9 1.0
ND1 A:HIS220 4.6 14.2 1.0
HG3 A:GLU181 4.7 18.4 1.0
H2 A:GLC401 4.7 26.2 1.0
HG2 A:GLU217 4.7 15.7 1.0
DD22 A:ASN215 4.8 17.0 1.0
HD1 A:HIS220 4.8 18.1 0.3
DD1 A:HIS220 4.8 18.1 0.7
D1 A:DOD581 4.8 28.2 1.0
HZ2 A:TRP16 4.8 16.6 1.0
DD21 A:ASN247 4.9 15.2 1.0
HD21 A:ASN247 4.9 15.2 0.0
HO6 A:GLC401 5.0 19.8 1.0

Reference:

P.Munshi, E.H.Snell, M.J.Van Der Woerd, R.A.Judge, D.A.Myles, Z.Ren, F.Meilleur. Neutron Structure of the Cyclic Glucose-Bound Xylose Isomerase E186Q Mutant. Acta Crystallogr.,Sect.D V. 70 414 2014.
ISSN: ISSN 0907-4449
PubMed: 24531475
DOI: 10.1107/S1399004713029684
Page generated: Mon Aug 11 19:55:30 2025

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