Chlorine in PDB 8uvv: The Nanj Sialidase Catalytic Domain in Complex with NEU5AC

The structure of The Nanj Sialidase Catalytic Domain in Complex with NEU5AC, PDB code: 8uvv was solved by B.J.Medley, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.67 / 2.50
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	171.134, 171.134, 92.843, 90, 90, 120
R / Rfree (%)	21.7 / 25.3

The binding sites of Chlorine atom in the The Nanj Sialidase Catalytic Domain in Complex with NEU5AC (pdb code 8uvv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Nanj Sialidase Catalytic Domain in Complex with NEU5AC, PDB code: 8uvv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Nanj Sialidase Catalytic Domain in Complex with NEU5AC


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Nanj Sialidase Catalytic Domain in Complex with NEU5AC within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:45.0 occ:1.00 N A:THR759 3.8 38.2 1.0 CD A:LYS758 3.9 48.0 1.0 CB A:THR759 4.0 44.4 1.0 OG1 A:THR759 4.1 42.1 1.0 N A:ALA804 4.3 70.6 1.0 CE A:LYS758 4.3 51.9 1.0 NZ A:LYS758 4.3 45.0 1.0 CB A:ALA804 4.4 61.5 1.0 CA A:THR759 4.5 40.8 1.0 CA A:LYS758 4.7 45.5 1.0 C A:LYS758 4.7 42.0 1.0 O A:THR759 4.8 47.0 1.0 O A:ASN757 4.8 43.9 1.0 O A:PHE802 4.9 64.7 1.0 CA A:ALA804 4.9 68.8 1.0 CG A:LYS758 5.0 43.8 1.0

Chlorine binding site 2 out of 2 in the The Nanj Sialidase Catalytic Domain in Complex with NEU5AC


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Nanj Sialidase Catalytic Domain in Complex with NEU5AC within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl902 b:62.0 occ:0.67 N A:ALA787 3.1 56.9 1.0 CA A:ALA787 3.7 52.4 1.0 O A:HOH1120 4.0 39.9 1.0 C A:GLY786 4.0 51.7 1.0 CA A:GLY786 4.1 40.0 1.0 N A:GLY788 4.2 45.9 1.0 C A:ALA787 4.5 52.4 1.0 CB A:ALA787 5.0 44.9 1.0

B.J.Medley, K.E.Low, J.M.Garber, T.E.Gray, L.Liu, L.Klassen, O.B.Fordwour, G.D.Inglis, G.J.Boons, W.F.Zandberg, D.W.Abbott. A Terminal Case of Glycan Catabolism Structural and Enzymatic Characterization of the Sialidases of Clostridium Perfringens To Be Published.