Fluorine in PDB 5bo9: Structure of Human Sialyltransferase ST8SIAIII in Complex with Cmp- 3FNEU5AC and Sia-6S-Lacnac

The structure of Structure of Human Sialyltransferase ST8SIAIII in Complex with Cmp- 3FNEU5AC and Sia-6S-Lacnac, PDB code: 5bo9 was solved by G.Volkers, L.Worrall, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.89 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.350, 94.874, 126.459, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 23

The binding sites of Fluorine atom in the Structure of Human Sialyltransferase ST8SIAIII in Complex with Cmp- 3FNEU5AC and Sia-6S-Lacnac (pdb code 5bo9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of Human Sialyltransferase ST8SIAIII in Complex with Cmp- 3FNEU5AC and Sia-6S-Lacnac, PDB code: 5bo9:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of Human Sialyltransferase ST8SIAIII in Complex with Cmp- 3FNEU5AC and Sia-6S-Lacnac


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Human Sialyltransferase ST8SIAIII in Complex with Cmp- 3FNEU5AC and Sia-6S-Lacnac within 5.0Å range: probe atom residue distance (Å) B Occ A:F412 b:99.7 occ:0.00 F3A A:CSF412 0.0 99.7 0.0 C3A A:CSF412 1.4 87.9 0.0 C4A A:CSF412 2.4 0.8 0.0 O4A A:CSF412 2.4 0.2 0.0 C2A A:CSF412 2.5 70.7 1.0 OBA A:CSF412 2.7 53.0 1.0 C1A A:CSF412 2.9 58.9 1.0 O9 A:SIA409 3.0 60.1 1.0 CD2 A:HIS354 3.1 80.9 1.0 NE2 A:HIS354 3.3 80.9 1.0 OH A:TYR336 3.4 52.2 1.0 O6A A:CSF412 3.5 87.6 0.0 O1A A:CSF412 3.5 54.2 1.0 C5A A:CSF412 3.5 0.7 0.0 OAA A:CSF412 3.9 53.9 1.0 C6A A:CSF412 4.1 0.0 0.0 CG A:HIS354 4.1 76.1 1.0 O3' A:CSF412 4.2 31.3 1.0 C9 A:SIA409 4.3 55.3 1.0 CE1 A:HIS354 4.3 78.7 1.0 O2A A:CSF412 4.5 49.9 1.0 CD1 A:LEU356 4.5 40.0 1.0 PA A:CSF412 4.5 43.7 1.0 C3' A:CSF412 4.6 33.0 1.0 CZ A:TYR336 4.7 51.3 1.0 ND1 A:HIS354 4.7 76.4 1.0 N5A A:CSF412 4.8 0.5 0.0 CB A:SER300 4.9 35.4 1.0 CG A:LEU356 5.0 39.4 1.0

Fluorine binding site 2 out of 2 in the Structure of Human Sialyltransferase ST8SIAIII in Complex with Cmp- 3FNEU5AC and Sia-6S-Lacnac


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Human Sialyltransferase ST8SIAIII in Complex with Cmp- 3FNEU5AC and Sia-6S-Lacnac within 5.0Å range: probe atom residue distance (Å) B Occ B:F410 b:0.7 occ:0.00 F3A B:CSF410 0.0 0.7 0.0 C3A B:CSF410 1.4 0.4 0.0 C4A B:CSF410 2.4 0.9 0.0 C2A B:CSF410 2.5 75.6 1.0 O4A B:CSF410 2.5 0.8 0.0 C1A B:CSF410 2.5 69.6 1.0 OBA B:CSF410 2.5 68.6 1.0 O8 B:SIA407 2.7 51.7 1.0 OAA B:CSF410 3.3 60.8 1.0 O6A B:CSF410 3.4 94.7 0.0 C5A B:CSF410 3.5 0.6 0.0 O1A B:CSF410 3.5 54.8 1.0 C8 B:SIA407 3.7 50.7 1.0 C6A B:CSF410 4.0 0.4 0.0 O2A B:CSF410 4.5 52.9 1.0 C9 B:SIA407 4.6 49.5 1.0 PA B:CSF410 4.7 42.8 1.0 C7 B:SIA407 4.7 48.9 1.0 N5A B:CSF410 4.7 0.5 0.0 OH B:TYR336 4.8 61.6 1.0 CB B:SER300 4.8 31.6 1.0 O3' B:CSF410 5.0 46.1 1.0

G.Volkers, L.J.Worrall, D.H.Kwan, C.C.Yu, L.Baumann, E.Lameignere, G.A.Wasney, N.E.Scott, W.Wakarchuk, L.J.Foster, S.G.Withers, N.C.Strynadka. Structure of Human ST8SIAIII Sialyltransferase Provides Insight Into Cell-Surface Polysialylation. Nat.Struct.Mol.Biol. V. 22 627 2015.
ISSN: ESSN 1545-9985
PubMed: 26192331
DOI: 10.1038/NSMB.3060