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Manganese in PDB 4qnj: The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and Formate at 1.3A Resolution

Enzymatic activity of The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and Formate at 1.3A Resolution

All present enzymatic activity of The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and Formate at 1.3A Resolution:
4.2.1.19;

Protein crystallography data

The structure of The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and Formate at 1.3A Resolution, PDB code: 4qnj was solved by 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, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.91 / 1.30
Space group P 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 114.150, 114.150, 114.150, 90.00, 90.00, 90.00
R / Rfree (%) 13.3 / 14.4

Other elements in 4qnj:

The structure of The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and Formate at 1.3A Resolution also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Manganese Binding Sites:

The binding sites of Manganese atom in the The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and Formate at 1.3A Resolution (pdb code 4qnj). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and Formate at 1.3A Resolution, PDB code: 4qnj:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 4qnj

Go back to Manganese Binding Sites List in 4qnj
Manganese binding site 1 out of 2 in the The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and Formate at 1.3A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and Formate at 1.3A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn301

b:8.7
occ:1.00
O A:HOH598 2.2 9.9 1.0
O2 A:FMT303 2.2 11.0 1.0
NE2 A:HIS73 2.3 9.5 1.0
OE1 A:GLU77 2.3 9.6 1.0
NE2 A:HIS145 2.3 9.1 1.0
CD A:GLU77 3.2 8.8 1.0
CE1 A:HIS73 3.2 9.1 1.0
C A:FMT303 3.2 12.8 1.0
CD2 A:HIS73 3.3 8.9 1.0
CD2 A:HIS145 3.3 8.4 1.0
CE1 A:HIS145 3.3 8.9 1.0
OE2 A:GLU77 3.6 9.2 1.0
O A:HOH538 4.0 23.4 1.0
O1 A:FMT303 4.3 11.7 1.0
ND1 A:HIS73 4.3 9.2 1.0
ND1 A:HIS145 4.4 8.3 1.0
CG A:HIS73 4.4 8.6 1.0
CG A:HIS145 4.4 7.6 1.0
CG A:GLU77 4.5 9.2 1.0
CB A:GLU77 4.7 8.4 1.0
O A:HOH405 4.9 9.9 1.0
O A:HOH602 5.0 34.5 1.0

Manganese binding site 2 out of 2 in 4qnj

Go back to Manganese Binding Sites List in 4qnj
Manganese binding site 2 out of 2 in the The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and Formate at 1.3A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and Formate at 1.3A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn302

b:10.2
occ:1.00
O1 A:FMT303 2.2 11.7 1.0
NE2 A:HIS74 2.3 9.8 1.0
O A:HOH401 2.3 12.1 1.0
C A:FMT303 3.2 12.8 1.0
CE1 A:HIS74 3.2 10.3 1.0
CD2 A:HIS74 3.3 10.3 1.0
O A:HOH504 4.1 32.3 1.0
ND1 A:HIS74 4.3 10.8 1.0
O2 A:FMT303 4.4 11.0 1.0
CG A:HIS74 4.4 9.9 1.0

Reference:

C.Bisson, K.L.Britton, S.E.Sedelnikova, H.F.Rodgers, T.C.Eadsforth, R.C.Viner, T.R.Hawkes, P.J.Baker, D.W.Rice. Crystal Structures Reveal That the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled By Switching Mn(II) Coordination. Structure V. 23 1236 2015.
ISSN: ISSN 0969-2126
PubMed: 26095028
DOI: 10.1016/J.STR.2015.05.012
Page generated: Tue Dec 15 04:27:48 2020

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