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Manganese in PDB 7uci: Sxta Methyltransferase and Decarboxylase Didomain in Complex with MN2+ and Sah

Protein crystallography data

The structure of Sxta Methyltransferase and Decarboxylase Didomain in Complex with MN2+ and Sah, PDB code: 7uci was solved by Y.Lao, M.A.Skiba, J.L.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.43 / 2.60
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 43.802, 69.668, 127.608, 86.44, 83.26, 83.95
R / Rfree (%) 23.8 / 29.8

Manganese Binding Sites:

The binding sites of Manganese atom in the Sxta Methyltransferase and Decarboxylase Didomain in Complex with MN2+ and Sah (pdb code 7uci). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Sxta Methyltransferase and Decarboxylase Didomain in Complex with MN2+ and Sah, PDB code: 7uci:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 7uci

Go back to Manganese Binding Sites List in 7uci
Manganese binding site 1 out of 2 in the Sxta Methyltransferase and Decarboxylase Didomain in Complex with MN2+ and Sah


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Sxta Methyltransferase and Decarboxylase Didomain in Complex with MN2+ and Sah within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn802

b:48.0
occ:1.00
OE1 A:GLN464 2.0 47.0 1.0
O A:HOH937 2.0 30.0 1.0
OE1 A:GLN459 2.5 53.0 1.0
HE22 A:GLN464 2.6 82.8 1.0
O A:HOH938 2.6 26.1 1.0
NE2 A:HIS372 2.6 52.8 1.0
O A:HOH944 2.7 35.0 1.0
HE22 A:GLN459 2.8 59.7 1.0
CD A:GLN464 2.8 47.3 1.0
NE2 A:GLN464 3.0 69.0 1.0
CD A:GLN459 3.3 51.9 1.0
NE2 A:GLN459 3.3 49.7 1.0
HD2 A:HIS372 3.3 51.6 1.0
CD2 A:HIS372 3.4 43.0 1.0
CE1 A:HIS372 3.7 49.7 1.0
HE21 A:GLN464 3.9 82.8 1.0
HE1 A:HIS372 3.9 59.6 1.0
HB2 A:ASP373 4.0 63.0 1.0
HE21 A:GLN459 4.1 59.7 1.0
HZ A:PHE455 4.2 36.6 1.0
OD2 A:ASP373 4.2 58.8 1.0
CG A:GLN464 4.3 41.2 1.0
HB3 A:GLN464 4.4 66.0 1.0
CG A:HIS372 4.6 41.8 1.0
ND1 A:HIS372 4.7 45.7 1.0
CG A:GLN459 4.7 45.8 1.0
HG2 A:GLN464 4.7 49.5 1.0
O A:PHE369 4.7 51.6 1.0
CB A:GLN464 4.7 55.0 1.0
HB2 A:GLN464 4.8 66.0 1.0
HG3 A:GLN464 4.8 49.5 1.0
HB3 A:GLN459 4.8 35.1 1.0
CZ A:PHE455 4.8 30.5 1.0
CB A:ASP373 4.9 52.5 1.0
CG A:ASP373 4.9 51.4 1.0

Manganese binding site 2 out of 2 in 7uci

Go back to Manganese Binding Sites List in 7uci
Manganese binding site 2 out of 2 in the Sxta Methyltransferase and Decarboxylase Didomain in Complex with MN2+ and Sah


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Sxta Methyltransferase and Decarboxylase Didomain in Complex with MN2+ and Sah within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn802

b:56.7
occ:1.00
O B:HOH938 2.0 71.7 1.0
NE2 B:HIS372 2.1 70.5 1.0
O B:HOH928 2.2 39.2 1.0
OE1 B:GLN464 2.2 74.1 1.0
O B:HOH930 2.4 57.7 1.0
CD2 B:HIS372 2.9 55.9 1.0
HD2 B:HIS372 3.0 67.0 1.0
HE22 B:GLN464 3.0 97.3 1.0
CD B:GLN464 3.0 71.2 1.0
OE1 B:GLN459 3.1 57.0 1.0
CE1 B:HIS372 3.2 47.1 1.0
NE2 B:GLN464 3.4 81.1 1.0
HE1 B:HIS372 3.5 56.5 1.0
HB2 B:ASP373 3.6 79.1 1.0
HE22 B:GLN459 4.0 69.1 1.0
CD B:GLN459 4.1 55.6 1.0
CG B:HIS372 4.2 43.4 1.0
HE21 B:GLN464 4.2 97.3 1.0
HB3 B:GLN464 4.2 72.4 1.0
ND1 B:HIS372 4.3 45.5 1.0
OD2 B:ASP373 4.3 78.5 1.0
CG B:GLN464 4.4 49.6 1.0
NE2 B:GLN459 4.4 57.6 1.0
CB B:ASP373 4.5 65.9 1.0
O B:PHE369 4.6 74.3 1.0
CB B:GLN464 4.7 60.4 1.0
HG2 B:GLN464 4.7 59.5 1.0
HB2 B:GLN464 4.7 72.4 1.0
CG B:ASP373 4.7 68.2 1.0
HZ B:PHE455 4.8 51.4 1.0
HB3 B:PHE369 4.9 72.2 1.0
HB3 B:ASP373 4.9 79.1 1.0

Reference:

Y.Lao, M.A.Skiba, S.W.Chun, A.R.H.Narayan, J.L.Smith. Structural Basis For Control of Methylation Extent in Polyketide Synthase Metal-Dependent C -Methyltransferases. Acs Chem.Biol. V. 17 2088 2022.
ISSN: ESSN 1554-8937
PubMed: 35594521
DOI: 10.1021/ACSCHEMBIO.2C00085
Page generated: Sun Oct 6 10:48:17 2024

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