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Manganese in PDB 4kc1: Structure of the Blood Group Glycosyltransferase Aaglyb in Complex with A Pyridine Inhibitor As A Neutral Pyrophosphate Surrogate

Enzymatic activity of Structure of the Blood Group Glycosyltransferase Aaglyb in Complex with A Pyridine Inhibitor As A Neutral Pyrophosphate Surrogate

All present enzymatic activity of Structure of the Blood Group Glycosyltransferase Aaglyb in Complex with A Pyridine Inhibitor As A Neutral Pyrophosphate Surrogate:
2.4.1.37; 2.4.1.40;

Protein crystallography data

The structure of Structure of the Blood Group Glycosyltransferase Aaglyb in Complex with A Pyridine Inhibitor As A Neutral Pyrophosphate Surrogate, PDB code: 4kc1 was solved by J.A.Cuesta-Seijo, S.Wang, D.Lafont, S.Vidal, M.M.Palcic, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.30 / 1.50
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 52.850, 149.870, 80.000, 90.00, 90.00, 90.00
R / Rfree (%) 14.1 / 18

Manganese Binding Sites:

The binding sites of Manganese atom in the Structure of the Blood Group Glycosyltransferase Aaglyb in Complex with A Pyridine Inhibitor As A Neutral Pyrophosphate Surrogate (pdb code 4kc1). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Structure of the Blood Group Glycosyltransferase Aaglyb in Complex with A Pyridine Inhibitor As A Neutral Pyrophosphate Surrogate, PDB code: 4kc1:

Manganese binding site 1 out of 1 in 4kc1

Go back to Manganese Binding Sites List in 4kc1
Manganese binding site 1 out of 1 in the Structure of the Blood Group Glycosyltransferase Aaglyb in Complex with A Pyridine Inhibitor As A Neutral Pyrophosphate Surrogate


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of the Blood Group Glycosyltransferase Aaglyb in Complex with A Pyridine Inhibitor As A Neutral Pyrophosphate Surrogate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:23.5
occ:1.00
 OD2 A:ASP213 2.2 14.9 1.0
O13 A:WS1403 2.3 16.3 1.0
O A:HOH501 2.3 24.3 1.0
N19 A:WS1403 2.3 20.1 1.0
O A:HOH619 2.3 24.9 1.0
O A:HOH735 2.4 39.3 1.0
O21 A:WS1403 2.5 23.9 1.0
CG A:ASP213 3.0 13.3 1.0
C12 A:WS1403 3.0 17.6 1.0
OD1 A:ASP213 3.1 14.7 1.0
C14 A:WS1403 3.1 19.0 1.0
C18 A:WS1403 3.3 21.7 1.0
C20 A:WS1403 3.4 23.8 1.0
OD2 A:ASP211 4.2 14.6 1.0
N11 A:WS1403 4.3 15.7 1.0
O A:HOH750 4.3 38.8 1.0
O A:HOH898 4.4 45.2 1.0
O A:HOH643 4.4 31.7 1.0
O A:HOH831 4.4 38.2 1.0
O2 A:BHE402 4.4 19.3 1.0
CB A:ASP213 4.4 11.9 1.0
C15 A:WS1403 4.5 22.0 1.0
O A:HOH881 4.6 43.0 1.0
C17 A:WS1403 4.6 23.8 1.0
O3' A:WS1403 4.6 13.6 1.0
O A:HOH897 4.6 31.0 0.5
C2 A:BHE402 4.6 15.9 1.0
O A:HOH719 4.7 27.0 1.0
C5' A:WS1403 4.9 14.1 1.0
CE2 A:TYR126 5.0 15.8 1.0
OH A:TYR126 5.0 19.2 1.0

Reference:

S.Wang, J.A.Cuesta-Seijo, D.Lafont, M.M.Palcic, S.Vidal. Structure of the Blood Group Glycosyltransferase Aaglyb in Complex with A Pyridine Inhibitor As A Neutral Pyrophosphate Surrogate To Be Published.
Page generated: Sat Aug 16 14:26:19 2025

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