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Manganese in PDB 1xle: Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift

Enzymatic activity of Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift

All present enzymatic activity of Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift:
5.3.1.5;

Protein crystallography data

The structure of Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift, PDB code: 1xle was solved by C.A.Collyer, K.Henrick, D.M.Blow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.50
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 105.400, 105.400, 154.000, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Manganese Binding Sites:

The binding sites of Manganese atom in the Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift (pdb code 1xle). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift, PDB code: 1xle:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 1xle

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Manganese binding site 1 out of 4 in the Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn398

b:17.4
occ:1.00
 OE2 A:GLU216 2.1 10.4 1.0
O A:HOH519A 2.2 20.2 1.0
OD1 A:ASP254 2.4 17.6 1.0
OD1 A:ASP256 2.5 15.5 1.0
OD2 A:ASP254 2.6 16.9 1.0
NE2 A:HIS219 2.7 14.3 1.0
CG A:ASP254 2.8 14.8 1.0
CD A:GLU216 3.1 15.4 1.0
CG A:ASP256 3.2 15.9 1.0
CD2 A:HIS219 3.2 11.9 1.0
OD2 A:ASP256 3.3 17.1 1.0
OE1 A:GLU216 3.6 18.0 1.0
CE1 A:HIS219 3.7 12.7 1.0
ND2 A:ASN246 3.9 13.2 1.0
O A:HOH487A 4.0 20.2 1.0
CB A:ASP254 4.3 13.8 1.0
CG A:HIS219 4.4 12.5 1.0
CG A:GLU216 4.4 12.7 1.0
OD2 A:ASP292 4.5 14.1 1.0
ND1 A:HIS219 4.6 13.9 1.0
O A:HOH739A 4.6 34.1 1.0
CB A:ASP256 4.6 15.0 1.0
O A:HOH517A 4.7 19.7 1.0
O A:HOH708B 4.8 20.2 1.0
MN A:MN399 4.8 25.4 1.0
NZ A:LYS182 4.8 7.2 1.0
CE A:LYS182 4.9 9.1 1.0
CG A:ASP292 4.9 14.4 1.0
O A:ASP292 5.0 14.9 1.0

Manganese binding site 2 out of 4 in 1xle

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Manganese binding site 2 out of 4 in the Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn399

b:25.4
occ:1.00
 OE1 A:GLU216 1.9 18.0 1.0
OD2 A:ASP292 2.0 14.1 1.0
OD2 A:ASP244 2.0 19.7 1.0
OE2 A:GLU180 2.5 16.2 1.0
OE1 A:GLU180 2.9 18.6 1.0
CD A:GLU180 3.1 15.8 1.0
CG A:ASP292 3.2 14.4 1.0
CG A:ASP244 3.2 17.7 1.0
CD A:GLU216 3.2 15.4 1.0
O A:HOH521A 3.6 26.9 1.0
O A:HOH708B 3.7 20.2 1.0
O A:HOH519A 3.7 20.2 1.0
CB A:ASP292 3.8 14.4 1.0
CB A:ASP244 3.8 15.0 1.0
CB A:GLU216 4.1 11.2 1.0
OE2 A:GLU216 4.1 10.4 1.0
CG A:GLU216 4.1 12.7 1.0
OD1 A:ASP292 4.1 12.0 1.0
OD1 A:ASP244 4.2 19.1 1.0
CE1 A:HIS219 4.2 12.7 1.0
CG A:GLU180 4.4 13.2 1.0
ND2 A:ASN214 4.6 17.2 1.0
NE2 A:HIS219 4.7 14.3 1.0
ND1 A:HIS219 4.8 13.9 1.0
MN A:MN398 4.8 17.4 1.0

Manganese binding site 3 out of 4 in 1xle

Go back to Manganese Binding Sites List in 1xle
Manganese binding site 3 out of 4 in the Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn398

b:16.8
occ:1.00
 OD1 B:ASP254 2.1 10.8 1.0
O B:HOH519B 2.1 24.4 1.0
OE2 B:GLU216 2.2 14.5 1.0
OD1 B:ASP256 2.4 11.6 1.0
NE2 B:HIS219 2.7 8.3 1.0
CG B:ASP254 2.7 12.4 1.0
OD2 B:ASP254 2.7 15.0 1.0
CD B:GLU216 3.1 14.2 1.0
CG B:ASP256 3.2 13.1 1.0
CD2 B:HIS219 3.3 7.7 1.0
OE1 B:GLU216 3.4 16.1 1.0
OD2 B:ASP256 3.4 14.8 1.0
O B:HOH487B 3.7 20.2 1.0
CE1 B:HIS219 3.8 9.1 1.0
ND2 B:ASN246 4.0 11.6 1.0
CB B:ASP254 4.2 11.3 1.0
O B:HOH733A 4.3 32.8 1.0
CG B:GLU216 4.3 10.7 1.0
O B:HOH517B 4.4 18.7 1.0
CG B:HIS219 4.5 9.3 1.0
CB B:ASP256 4.7 12.9 1.0
OD2 B:ASP292 4.7 16.4 1.0
CE B:LYS182 4.7 8.5 1.0
ND1 B:HIS219 4.8 9.2 1.0
NZ B:LYS182 4.8 7.8 1.0
MN B:MN399 4.8 19.6 1.0

Manganese binding site 4 out of 4 in 1xle

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Manganese binding site 4 out of 4 in the Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn399

b:19.6
occ:1.00
 OD2 B:ASP244 1.9 19.4 1.0
OE1 B:GLU216 2.0 16.1 1.0
OD2 B:ASP292 2.1 16.4 1.0
OE2 B:GLU180 2.2 18.0 1.0
CD B:GLU180 2.9 17.4 1.0
CG B:ASP244 3.1 18.4 1.0
OE1 B:GLU180 3.1 19.9 1.0
CG B:ASP292 3.2 16.4 1.0
CD B:GLU216 3.2 14.2 1.0
O B:HOH483B 3.4 20.2 1.0
O B:HOH521B 3.6 37.5 1.0
CB B:ASP292 3.7 15.6 1.0
CB B:ASP244 3.8 16.2 1.0
O B:HOH519B 4.1 24.4 1.0
OD1 B:ASP244 4.1 19.8 1.0
CG B:GLU216 4.1 10.7 1.0
OE2 B:GLU216 4.2 14.5 1.0
CB B:GLU216 4.2 11.5 1.0
CE1 B:HIS219 4.2 9.1 1.0
OD1 B:ASP292 4.2 18.0 1.0
CG B:GLU180 4.3 16.1 1.0
O B:HOH419B 4.4 20.2 1.0
ND2 B:ASN214 4.6 14.8 1.0
NE2 B:HIS219 4.7 8.3 1.0
MN B:MN398 4.8 16.8 1.0

Reference:

C.A.Collyer, K.Henrick, D.M.Blow. Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift. J.Mol.Biol. V. 212 211 1990.
ISSN: ISSN 0022-2836
PubMed: 2319597
DOI: 10.1016/0022-2836(90)90316-E
Page generated: Sat Oct 5 13:06:37 2024

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