Manganese in PDB 6egs: Crystal Structure of the Galnac-T2 F104S Mutant in Complex with Udp- Galnac

All present enzymatic activity of Crystal Structure of the Galnac-T2 F104S Mutant in Complex with Udp- Galnac:
2.4.1.41;

The structure of Crystal Structure of the Galnac-T2 F104S Mutant in Complex with Udp- Galnac, PDB code: 6egs was solved by M.De Las Rivas, H.Coelho, A.Diniz, E.Lira-Navarrete, J.Jimenez-Barbero, K.T.Schjoldager, E.P.Bennett, S.Y.Vakhrushev, H.Clausen, F.Corzana, F.Marcelo, R.Hurtado-Guerrero, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	154.04 / 2.70
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	154.036, 154.036, 109.823, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 22.1

The binding sites of Manganese atom in the Crystal Structure of the Galnac-T2 F104S Mutant in Complex with Udp- Galnac (pdb code 6egs). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of the Galnac-T2 F104S Mutant in Complex with Udp- Galnac, PDB code: 6egs:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of the Galnac-T2 F104S Mutant in Complex with Udp- Galnac


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the Galnac-T2 F104S Mutant in Complex with Udp- Galnac within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn601 b:55.3 occ:1.00 OD2 A:ASP224 2.1 58.9 1.0 NE2 A:HIS226 2.2 48.6 1.0 O2A A:UD2602 2.2 91.8 1.0 NE2 A:HIS359 2.2 52.6 1.0 O2B A:UD2602 2.3 96.7 1.0 CE1 A:HIS359 2.9 50.4 1.0 CD2 A:HIS226 3.1 49.6 1.0 CE1 A:HIS226 3.2 48.3 1.0 CG A:ASP224 3.2 56.3 1.0 O1' A:UD2602 3.2 94.3 1.0 PB A:UD2602 3.2 82.7 1.0 PA A:UD2602 3.4 81.9 1.0 CD2 A:HIS359 3.4 54.0 1.0 O3A A:UD2602 3.6 86.0 1.0 N2' A:UD2602 3.7 0.3 1.0 CB A:ASP224 3.7 52.8 1.0 O1A A:UD2602 4.1 68.5 1.0 ND1 A:HIS359 4.1 49.8 1.0 OD1 A:ASP224 4.3 59.2 1.0 ND1 A:HIS226 4.3 49.3 1.0 C8' A:UD2602 4.3 95.5 1.0 CG A:HIS226 4.3 49.4 1.0 O A:VAL360 4.3 64.7 1.0 C1' A:UD2602 4.4 0.4 1.0 CG A:HIS359 4.4 52.1 1.0 C2' A:UD2602 4.5 0.5 1.0 C7' A:UD2602 4.5 0.2 1.0 O1B A:UD2602 4.7 92.1 1.0 O5B A:UD2602 4.7 96.5 1.0 C3' A:UD2602 4.9 0.8 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of the Galnac-T2 F104S Mutant in Complex with Udp- Galnac


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of the Galnac-T2 F104S Mutant in Complex with Udp- Galnac within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn601 b:64.0 occ:1.00 NE2 B:HIS226 2.0 63.8 1.0 O2B B:UD2602 2.0 74.5 1.0 OD2 B:ASP224 2.1 68.5 1.0 NE2 B:HIS359 2.2 70.4 1.0 O2A B:UD2602 2.3 89.5 1.0 CE1 B:HIS359 2.9 71.8 1.0 CD2 B:HIS226 3.0 62.0 1.0 CE1 B:HIS226 3.0 63.0 1.0 PB B:UD2602 3.1 73.5 1.0 CG B:ASP224 3.2 68.9 1.0 PA B:UD2602 3.2 75.3 1.0 O5B B:UD2602 3.3 73.5 1.0 CD2 B:HIS359 3.4 67.9 1.0 O3A B:UD2602 3.4 74.8 1.0 C8' B:UD2602 3.5 87.0 1.0 CB B:ASP224 3.6 64.9 1.0 N2' B:UD2602 3.7 89.2 1.0 O1B B:UD2602 3.9 82.6 1.0 ND1 B:HIS226 4.1 63.9 1.0 CG B:HIS226 4.1 62.2 1.0 ND1 B:HIS359 4.1 71.6 1.0 C7' B:UD2602 4.2 85.3 1.0 OD1 B:ASP224 4.2 79.6 1.0 O B:VAL360 4.2 73.7 1.0 O3B B:UD2602 4.3 77.0 1.0 CG B:HIS359 4.4 67.4 1.0 O1' B:UD2602 4.5 81.0 1.0 C5B B:UD2602 4.6 78.3 1.0 O1A B:UD2602 4.6 73.9 1.0 C3B B:UD2602 4.7 79.7 1.0 C4B B:UD2602 4.9 80.2 1.0 C2' B:UD2602 4.9 89.1 1.0

M.De Las Rivas, H.Coelho, A.Diniz, E.Lira-Navarrete, I.Companon, J.Jimenez-Barbero, K.T.Schjoldager, E.P.Bennett, S.Y.Vakhrushev, H.Clausen, F.Corzana, F.Marcelo, R.Hurtado-Guerrero. Structural Analysis of A Galnac-T2 Mutant Reveals An Induced-Fit Catalytic Mechanism For Galnac-Ts. Chemistry V. 24 8382 2018.
ISSN: ISSN 1521-3765
PubMed: 29601100
DOI: 10.1002/CHEM.201800701