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Magnesium in PDB 4us6: New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels

Enzymatic activity of New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels

All present enzymatic activity of New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels:
5.3.1.5;

Protein crystallography data

The structure of New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels, PDB code: 4us6 was solved by J.A.Gavira, M.Conejero-Muriel, J.J.Diaz-Mochon, L.Alvarez De Cienfuegos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 99.21 / 1.20
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 85.999, 93.677, 99.215, 90.00, 90.00, 90.00
R / Rfree (%) 10.648 / 13.237

Other elements in 4us6:

The structure of New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels also contains other interesting chemical elements:

Calcium (Ca) 2 atoms
Sodium (Na) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels (pdb code 4us6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels, PDB code: 4us6:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 4us6

Go back to Magnesium Binding Sites List in 4us6
Magnesium binding site 1 out of 3 in the New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1389

b:6.4
occ:1.00
 HO2 A:GOL1390 1.4 7.8 0.0
OE2 A:GLU181 2.0 7.7 1.0
OE1 A:GLU217 2.0 7.5 1.0
OD2 A:ASP245 2.0 7.8 1.0
OD2 A:ASP287 2.0 8.2 1.0
O2 A:GOL1390 2.2 8.1 1.0
O3 A:GOL1390 2.2 8.4 1.0
HO1 A:GOL1390 2.6 8.7 1.0
CD A:GLU181 3.0 7.5 1.0
C3 A:GOL1390 3.0 8.9 1.0
C2 A:GOL1390 3.1 8.1 1.0
CG A:ASP287 3.1 6.9 1.0
CD A:GLU217 3.3 6.5 1.0
CG A:ASP245 3.3 7.1 1.0
OE1 A:GLU181 3.3 8.4 1.0
H12 A:GOL1390 3.3 9.1 1.0
HB3 A:ASP287 3.4 7.2 1.0
HB2 A:GLU217 3.4 6.2 1.0
H2 A:GOL1390 3.4 8.5 1.0
HE1 A:HIS220 3.6 7.8 1.0
HB2 A:ASP287 3.6 7.2 1.0
CB A:ASP287 3.6 7.3 1.0
O A:HOH2333 3.8 9.8 1.0
HB3 A:ASP245 3.8 6.8 1.0
HB2 A:ASP245 4.0 7.0 1.0
CB A:ASP245 4.0 6.7 1.0
H11 A:GOL1390 4.0 9.3 1.0
CE1 A:HIS220 4.1 7.8 1.0
O A:HOH2362 4.1 10.0 1.0
CG A:GLU217 4.1 6.5 1.0
CB A:GLU217 4.2 6.2 1.0
HG3 A:GLU217 4.2 6.4 1.0
OE2 A:GLU217 4.2 7.1 1.0
OD1 A:ASP245 4.2 7.5 1.0
OD1 A:ASP287 4.2 7.8 1.0
CG A:GLU181 4.3 7.5 1.0
C1 A:GOL1390 4.4 8.8 1.0
HB3 A:GLU217 4.5 6.5 1.0
HG2 A:GLU181 4.5 7.3 1.0
H31 A:GOL1390 4.5 8.9 1.0
HG3 A:GLU181 4.6 7.4 1.0
HD21 A:ASN215 4.6 7.4 1.0
HZ2 A:TRP16 4.6 7.4 1.0
HD22 A:ASN215 4.7 7.6 1.0
NE2 A:HIS220 4.7 8.1 1.0
CA A:CA1388 4.7 7.0 1.0
HE2 A:HIS220 4.7 7.5 1.0
ND1 A:HIS220 4.7 7.6 1.0
HD1 A:HIS220 4.8 7.3 1.0
H32 A:GOL1390 4.8 8.8 1.0
HO3 A:GOL1392 4.9 23.3 1.0
O1 A:GOL1392 4.9 26.3 1.0
ND2 A:ASN215 4.9 7.5 1.0
HG2 A:GLU217 5.0 6.2 1.0

Magnesium binding site 2 out of 3 in 4us6

Go back to Magnesium Binding Sites List in 4us6
Magnesium binding site 2 out of 3 in the New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1394

b:12.7
occ:1.00
 O A:HOH2499 2.0 15.1 1.0
O A:HOH2258 2.1 12.4 1.0
O A:HOH2267 2.1 15.5 1.0
O A:HOH2268 2.1 12.9 1.0
O A:HOH2261 2.1 17.6 1.0
OD2 A:ASP150 4.0 16.7 1.0
HH22 A:ARG152 4.0 15.4 0.4
OD1 A:ASP153 4.1 11.8 1.0
OD2 A:ASP153 4.1 10.1 1.0
HH12 A:ARG152 4.1 15.8 0.4
O A:HOH2266 4.2 22.6 1.0
O A:HOH2078 4.5 27.6 1.0
NH2 A:ARG152 4.5 16.1 0.4
CG A:ASP153 4.5 9.7 1.0
NH1 A:ARG152 4.6 16.9 0.4
HH21 A:ARG152 4.6 17.4 0.6
O A:HOH2260 4.8 30.7 1.0
CG A:ASP150 4.8 9.7 1.0
HH22 A:ARG152 4.9 17.5 0.6
CZ A:ARG152 4.9 13.0 0.4
NH2 A:ARG152 4.9 17.7 0.6
HH21 A:ARG152 5.0 15.3 0.4

Magnesium binding site 3 out of 3 in 4us6

Go back to Magnesium Binding Sites List in 4us6
Magnesium binding site 3 out of 3 in the New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1390

b:6.2
occ:1.00
 OD2 B:ASP245 2.0 7.5 1.0
OE2 B:GLU181 2.0 7.5 1.0
OE1 B:GLU217 2.0 7.5 1.0
OD2 B:ASP287 2.1 7.8 1.0
O2 B:GOL1391 2.2 7.2 1.0
O1 B:GOL1391 2.2 8.2 1.0
HO2 B:GOL1391 2.4 6.9 0.0
HO3 B:GOL1391 2.9 7.8 0.0
CD B:GLU181 3.0 7.6 1.0
C1 B:GOL1391 3.1 8.3 1.0
C2 B:GOL1391 3.1 8.0 1.0
CG B:ASP287 3.1 6.9 1.0
CG B:ASP245 3.2 6.2 1.0
OE1 B:GLU181 3.3 8.0 1.0
CD B:GLU217 3.3 6.1 1.0
H31 B:GOL1391 3.4 8.7 1.0
HO3 B:GOL1392 3.4 18.1 0.4
HB3 B:ASP287 3.4 6.9 1.0
HB2 B:GLU217 3.4 5.7 1.0
H2 B:GOL1391 3.5 8.9 1.0
HE1 B:HIS220 3.6 6.7 1.0
HB2 B:ASP287 3.6 6.9 1.0
CB B:ASP287 3.6 6.9 1.0
O B:HOH2283 3.8 10.2 1.0
HB3 B:ASP245 3.8 6.4 1.0
HB2 B:ASP245 4.0 6.7 1.0
CB B:ASP245 4.0 6.5 1.0
CE1 B:HIS220 4.0 6.8 1.0
H32 B:GOL1391 4.1 9.1 1.0
CG B:GLU217 4.1 6.3 1.0
O B:HOH2302 4.1 9.1 1.0
HG3 B:GLU217 4.1 6.3 1.0
CB B:GLU217 4.2 6.0 1.0
OE2 B:GLU217 4.2 6.5 1.0
OD1 B:ASP245 4.2 7.1 1.0
OD1 B:ASP287 4.2 7.2 1.0
O1 B:GOL1392 4.3 22.4 0.4
CG B:GLU181 4.3 7.5 1.0
C3 B:GOL1391 4.4 8.2 1.0
HB3 B:GLU217 4.5 6.0 1.0
H12 B:GOL1391 4.5 8.9 1.0
HD21 B:ASN215 4.6 7.6 1.0
HG2 B:GLU181 4.6 7.6 1.0
HG3 B:GLU181 4.6 7.3 1.0
HZ2 B:TRP16 4.6 7.8 1.0
HD22 B:ASN215 4.6 7.5 1.0
NE2 B:HIS220 4.6 7.2 1.0
HE2 B:HIS220 4.7 6.6 1.0
CA B:CA1389 4.7 7.0 1.0
ND1 B:HIS220 4.7 6.9 1.0
HO3 B:GOL1392 4.7 18.9 0.6
O1 B:GOL1392 4.8 18.1 0.6
HD1 B:HIS220 4.8 6.6 1.0
H11 B:GOL1391 4.9 8.9 1.0
ND2 B:ASN215 4.9 7.6 1.0
HG2 B:GLU217 5.0 6.5 1.0

Reference:

M.Conejero-Muriel, J.A.Gavira, E.Pineda-Molina, A.Belsom, M.Bradley, M.Moral, J.D.D.Garcia-Lopez Duran, A.Luque Gonzalez, J.J.Diaz-Mochon, R.Contreras-Montoya, A.Martinez-Peragon, J.M.Cuerva, L.Alvarez De Cienfuegos. Influence of the Chirality of Short Peptide Supramolecular Hydrogels in Protein Crystallogenesis. Chem.Commun.(Camb.) V. 51 3862 2015.
ISSN: ISSN 1359-7345
PubMed: 25655841
DOI: 10.1039/C4CC09024A
Page generated: Mon Dec 14 19:38:06 2020

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