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Manganese in PDB 1xis: A Metal-Mediated Hydride Shift Mechanism For Xylose Isomerase Based on the 1.6 Angstroms Streptomyces Rubiginosus Structures with Xylitol and D-Xylose

Enzymatic activity of A Metal-Mediated Hydride Shift Mechanism For Xylose Isomerase Based on the 1.6 Angstroms Streptomyces Rubiginosus Structures with Xylitol and D-Xylose

All present enzymatic activity of A Metal-Mediated Hydride Shift Mechanism For Xylose Isomerase Based on the 1.6 Angstroms Streptomyces Rubiginosus Structures with Xylitol and D-Xylose:
5.3.1.5;

Protein crystallography data

The structure of A Metal-Mediated Hydride Shift Mechanism For Xylose Isomerase Based on the 1.6 Angstroms Streptomyces Rubiginosus Structures with Xylitol and D-Xylose, PDB code: 1xis was solved by M.Whitlow, A.J.Howard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.60
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 94.640, 99.970, 103.970, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Manganese Binding Sites:

The binding sites of Manganese atom in the A Metal-Mediated Hydride Shift Mechanism For Xylose Isomerase Based on the 1.6 Angstroms Streptomyces Rubiginosus Structures with Xylitol and D-Xylose (pdb code 1xis). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the A Metal-Mediated Hydride Shift Mechanism For Xylose Isomerase Based on the 1.6 Angstroms Streptomyces Rubiginosus Structures with Xylitol and D-Xylose, PDB code: 1xis:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 1xis

Go back to Manganese Binding Sites List in 1xis
Manganese binding site 1 out of 2 in the A Metal-Mediated Hydride Shift Mechanism For Xylose Isomerase Based on the 1.6 Angstroms Streptomyces Rubiginosus Structures with Xylitol and D-Xylose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of A Metal-Mediated Hydride Shift Mechanism For Xylose Isomerase Based on the 1.6 Angstroms Streptomyces Rubiginosus Structures with Xylitol and D-Xylose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn391

b:11.3
occ:1.00
 OE2 A:GLU217 2.1 9.8 1.0
O A:HOH737 2.2 12.4 1.0
OD1 A:ASP257 2.2 10.6 1.0
OD2 A:ASP255 2.3 11.2 1.0
NE2 A:HIS220 2.3 8.8 1.0
OD1 A:ASP255 2.3 9.8 1.0
CG A:ASP255 2.6 10.4 1.0
CD A:GLU217 3.0 10.0 1.0
CD2 A:HIS220 3.0 6.8 1.0
CG A:ASP257 3.2 10.7 1.0
OE1 A:GLU217 3.3 15.1 1.0
CE1 A:HIS220 3.4 9.6 1.0
OD2 A:ASP257 3.4 14.0 1.0
O A:HOH393 3.8 19.2 1.0
OD1 A:ASN247 4.1 13.2 1.0
O A:HOH476 4.1 9.7 1.0
CB A:ASP255 4.2 9.4 1.0
CG A:HIS220 4.2 7.0 1.0
ND1 A:HIS220 4.4 9.5 1.0
CG A:GLU217 4.4 9.8 1.0
CB A:ASP257 4.6 8.1 1.0
O A:HOH394 4.6 22.3 0.9
OD2 A:ASP287 4.7 15.0 1.0
O A:HOH663 4.8 23.2 0.9
CE A:LYS183 4.8 10.9 1.0
NZ A:LYS183 4.8 12.8 1.0
MN A:MN392 4.9 11.1 0.8

Manganese binding site 2 out of 2 in 1xis

Go back to Manganese Binding Sites List in 1xis
Manganese binding site 2 out of 2 in the A Metal-Mediated Hydride Shift Mechanism For Xylose Isomerase Based on the 1.6 Angstroms Streptomyces Rubiginosus Structures with Xylitol and D-Xylose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of A Metal-Mediated Hydride Shift Mechanism For Xylose Isomerase Based on the 1.6 Angstroms Streptomyces Rubiginosus Structures with Xylitol and D-Xylose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn392

b:11.1
occ:0.80
 OE2 A:GLU181 2.1 16.7 1.0
OE1 A:GLU217 2.1 15.1 1.0
OD2 A:ASP287 2.1 15.0 1.0
OD2 A:ASP245 2.2 15.2 1.0
O A:HOH394 2.4 22.3 0.9
O A:HOH395 2.6 37.3 0.8
CD A:GLU181 3.0 13.8 1.0
OE1 A:GLU181 3.2 18.5 1.0
CG A:ASP287 3.3 12.7 1.0
CD A:GLU217 3.3 10.0 1.0
CG A:ASP245 3.3 12.4 1.0
CB A:ASP287 3.6 9.9 1.0
CB A:ASP245 3.9 8.4 1.0
O A:HOH738 4.0 23.8 0.8
O A:HOH737 4.0 12.4 1.0
O A:HOH776 4.0 31.3 0.6
CG A:GLU217 4.0 9.8 1.0
CB A:GLU217 4.1 7.4 1.0
CE1 A:HIS220 4.2 9.6 1.0
OE2 A:GLU217 4.2 9.8 1.0
CG A:GLU181 4.3 9.0 1.0
OD1 A:ASP245 4.3 11.1 1.0
OD1 A:ASP287 4.3 11.0 1.0
O A:HOH395 4.5 24.9 0.6
NE2 A:HIS220 4.8 8.8 1.0
MN A:MN391 4.9 11.3 1.0
ND1 A:HIS220 4.9 9.5 1.0
OD1 A:ASN215 4.9 14.7 1.0

Reference:

M.Whitlow, A.J.Howard, B.C.Finzel, T.L.Poulos, E.Winborne, G.L.Gilliland. A Metal-Mediated Hydride Shift Mechanism For Xylose Isomerase Based on the 1.6 A Streptomyces Rubiginosus Structures with Xylitol and D-Xylose. Proteins V. 9 153 1991.
ISSN: ISSN 0887-3585
PubMed: 2006134
DOI: 10.1002/PROT.340090302
Page generated: Sat Oct 5 13:06:01 2024

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