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Manganese in PDB 4mu3: The Form A Structure of An E21Q Catalytic Mutant of A. Thaliana IGPD2 in Complex with MN2+ and A Mixture of Its Substrate, 2R3S-Igp, and An Inhibitor, 2S3S-Igp, to 1.12 A Resolution

Enzymatic activity of The Form A Structure of An E21Q Catalytic Mutant of A. Thaliana IGPD2 in Complex with MN2+ and A Mixture of Its Substrate, 2R3S-Igp, and An Inhibitor, 2S3S-Igp, to 1.12 A Resolution

All present enzymatic activity of The Form A Structure of An E21Q Catalytic Mutant of A. Thaliana IGPD2 in Complex with MN2+ and A Mixture of Its Substrate, 2R3S-Igp, and An Inhibitor, 2S3S-Igp, to 1.12 A Resolution:
4.2.1.19;

Protein crystallography data

The structure of The Form A Structure of An E21Q Catalytic Mutant of A. Thaliana IGPD2 in Complex with MN2+ and A Mixture of Its Substrate, 2R3S-Igp, and An Inhibitor, 2S3S-Igp, to 1.12 A Resolution, PDB code: 4mu3 was solved by C.Bisson, K.L.Britton, S.E.Sedelnikova, P.J.Baker, D.W.Rice, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.17 / 1.12
Space group P 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 113.100, 113.100, 113.100, 90.00, 90.00, 90.00
R / Rfree (%) 12.5 / 13.9

Manganese Binding Sites:

The binding sites of Manganese atom in the The Form A Structure of An E21Q Catalytic Mutant of A. Thaliana IGPD2 in Complex with MN2+ and A Mixture of Its Substrate, 2R3S-Igp, and An Inhibitor, 2S3S-Igp, to 1.12 A Resolution (pdb code 4mu3). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the The Form A Structure of An E21Q Catalytic Mutant of A. Thaliana IGPD2 in Complex with MN2+ and A Mixture of Its Substrate, 2R3S-Igp, and An Inhibitor, 2S3S-Igp, to 1.12 A Resolution, PDB code: 4mu3:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in 4mu3

Go back to Manganese Binding Sites List in 4mu3
Manganese binding site 1 out of 3 in the The Form A Structure of An E21Q Catalytic Mutant of A. Thaliana IGPD2 in Complex with MN2+ and A Mixture of Its Substrate, 2R3S-Igp, and An Inhibitor, 2S3S-Igp, to 1.12 A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Form A Structure of An E21Q Catalytic Mutant of A. Thaliana IGPD2 in Complex with MN2+ and A Mixture of Its Substrate, 2R3S-Igp, and An Inhibitor, 2S3S-Igp, to 1.12 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn301

b:7.1
occ:0.50
 MN A:MN301 0.0 7.1 0.5
MN A:MN301 0.5 7.7 0.5
O A:HOH432 2.1 8.2 1.0
NE2 A:HIS73 2.2 6.7 1.0
OE1 A:GLU77 2.2 7.5 1.0
N3 A:IG2303 2.3 8.3 0.6
NE2 A:HIS145 2.5 7.1 1.0
N1 A:IYP304 3.0 7.6 0.4
C6 A:IYP304 3.1 12.5 0.4
CE1 A:HIS73 3.1 7.0 1.0
C6 A:IG2303 3.2 8.0 0.6
CD2 A:HIS73 3.2 7.9 1.0
CD A:GLU77 3.2 7.3 1.0
C5 A:IG2303 3.4 9.3 0.6
CE1 A:HIS145 3.4 6.8 1.0
CD2 A:HIS145 3.4 7.0 1.0
OE2 A:GLU77 3.5 8.2 1.0
ND1 A:HIS73 4.3 6.8 1.0
C5 A:IYP304 4.3 10.1 0.4
CG A:HIS73 4.3 6.9 1.0
N1 A:IG2303 4.3 7.9 0.6
N2 A:IYP304 4.4 11.2 0.4
CG A:GLU77 4.5 6.9 1.0
C4 A:IG2303 4.5 9.9 0.6
ND1 A:HIS145 4.5 6.7 1.0
CG A:HIS145 4.6 6.3 1.0
CB A:GLU77 4.8 7.2 1.0
O A:HOH402 5.0 7.9 1.0
C4 A:IYP304 5.0 13.2 0.4

Manganese binding site 2 out of 3 in 4mu3

Go back to Manganese Binding Sites List in 4mu3
Manganese binding site 2 out of 3 in the The Form A Structure of An E21Q Catalytic Mutant of A. Thaliana IGPD2 in Complex with MN2+ and A Mixture of Its Substrate, 2R3S-Igp, and An Inhibitor, 2S3S-Igp, to 1.12 A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Form A Structure of An E21Q Catalytic Mutant of A. Thaliana IGPD2 in Complex with MN2+ and A Mixture of Its Substrate, 2R3S-Igp, and An Inhibitor, 2S3S-Igp, to 1.12 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn301

b:7.7
occ:0.50
 MN A:MN301 0.0 7.7 0.5
MN A:MN301 0.5 7.1 0.5
NE2 A:HIS145 2.0 7.1 1.0
NE2 A:HIS73 2.2 6.7 1.0
O A:HOH432 2.2 8.2 1.0
OE1 A:GLU77 2.3 7.5 1.0
N3 A:IG2303 2.8 8.3 0.6
CD2 A:HIS145 3.0 7.0 1.0
CE1 A:HIS145 3.0 6.8 1.0
CE1 A:HIS73 3.1 7.0 1.0
CD A:GLU77 3.2 7.3 1.0
CD2 A:HIS73 3.3 7.9 1.0
N1 A:IYP304 3.5 7.6 0.4
C6 A:IG2303 3.6 8.0 0.6
OE2 A:GLU77 3.6 8.2 1.0
C6 A:IYP304 3.6 12.5 0.4
C5 A:IG2303 3.8 9.3 0.6
ND1 A:HIS145 4.1 6.7 1.0
CG A:HIS145 4.1 6.3 1.0
ND1 A:HIS73 4.2 6.8 1.0
CG A:HIS73 4.4 6.9 1.0
CG A:GLU77 4.4 6.9 1.0
CB A:GLU77 4.7 7.2 1.0
O A:HOH402 4.7 7.9 1.0
C5 A:IYP304 4.8 10.1 0.4
N1 A:IG2303 4.8 7.9 0.6
N2 A:IYP304 4.9 11.2 0.4
C4 A:IG2303 5.0 9.9 0.6

Manganese binding site 3 out of 3 in 4mu3

Go back to Manganese Binding Sites List in 4mu3
Manganese binding site 3 out of 3 in the The Form A Structure of An E21Q Catalytic Mutant of A. Thaliana IGPD2 in Complex with MN2+ and A Mixture of Its Substrate, 2R3S-Igp, and An Inhibitor, 2S3S-Igp, to 1.12 A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of The Form A Structure of An E21Q Catalytic Mutant of A. Thaliana IGPD2 in Complex with MN2+ and A Mixture of Its Substrate, 2R3S-Igp, and An Inhibitor, 2S3S-Igp, to 1.12 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn302

b:7.1
occ:1.00
 N1 A:IG2303 2.2 7.9 0.6
NE2 A:HIS74 2.3 7.7 1.0
N2 A:IYP304 2.3 11.2 0.4
O3 A:IYP304 2.4 15.7 0.4
O1 A:IG2303 2.5 8.5 0.6
C4 A:IG2303 3.0 9.9 0.6
C4 A:IYP304 3.1 13.2 0.4
C3 A:IYP304 3.1 13.8 0.4
C3 A:IG2303 3.2 14.4 0.6
CE1 A:HIS74 3.2 8.2 1.0
C6 A:IG2303 3.3 8.0 0.6
CD2 A:HIS74 3.3 7.4 1.0
C6 A:IYP304 3.5 12.5 0.4
C5 A:IG2303 4.3 9.3 0.6
ND1 A:HIS74 4.3 9.1 1.0
C5 A:IYP304 4.3 10.1 0.4
N3 A:IG2303 4.4 8.3 0.6
CG A:HIS74 4.4 7.8 1.0
N1 A:IYP304 4.5 7.6 0.4
C2 A:IYP304 4.6 13.6 0.4
C2 A:IG2303 4.6 21.9 0.6

Reference:

C.Bisson, K.L.Britton, S.E.Sedelnikova, H.F.Rodgers, T.C.Eadsforth, R.Viner, T.R.Hawkes, P.J.Baker, D.W.Rice. A New Role For Metal Ions in Enzyme Catalysis To Be Published.
Page generated: Sat Oct 5 20:26:42 2024

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