Chlorine in PDB 8bry: Room-Temperature Structure of Pedobacter Heparinus N-Acetylglucosamine 2-Epimerase at Atmospheric Pressure

The structure of Room-Temperature Structure of Pedobacter Heparinus N-Acetylglucosamine 2-Epimerase at Atmospheric Pressure, PDB code: 8bry was solved by J.Lieske, S.Saouane, M.Assmann, H.Zaun, J.Kuballa, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.62 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.945, 94.626, 82.465, 90, 102.53, 90
R / Rfree (%)	15.4 / 16.4

The binding sites of Chlorine atom in the Room-Temperature Structure of Pedobacter Heparinus N-Acetylglucosamine 2-Epimerase at Atmospheric Pressure (pdb code 8bry). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Room-Temperature Structure of Pedobacter Heparinus N-Acetylglucosamine 2-Epimerase at Atmospheric Pressure, PDB code: 8bry:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Room-Temperature Structure of Pedobacter Heparinus N-Acetylglucosamine 2-Epimerase at Atmospheric Pressure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Room-Temperature Structure of Pedobacter Heparinus N-Acetylglucosamine 2-Epimerase at Atmospheric Pressure within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:14.8 occ:1.00 H A:HIS378 2.5 14.2 1.0 H A:GLY375 2.6 17.9 1.0 HD2 A:HIS378 2.7 17.3 1.0 HB3 A:PHE377 2.8 15.0 1.0 HE1 A:TRP309 2.9 20.4 1.0 O A:HOH746 3.1 15.0 1.0 O A:HOH691 3.1 23.1 1.0 HZ2 A:TRP309 3.1 16.8 1.0 HA A:LYS374 3.2 18.9 1.0 H A:PHE377 3.3 17.1 1.0 O A:GLY375 3.3 16.7 1.0 N A:HIS378 3.3 11.8 1.0 HB2 A:HIS378 3.4 16.1 1.0 N A:GLY375 3.4 14.9 1.0 CD2 A:HIS378 3.5 14.4 1.0 NE1 A:TRP309 3.7 17.0 1.0 CB A:PHE377 3.7 12.5 1.0 HG3 A:LYS374 3.7 17.6 1.0 N A:PHE377 3.9 14.2 1.0 CZ2 A:TRP309 3.9 14.0 1.0 C A:GLY375 4.0 15.6 1.0 HD2 A:PHE377 4.0 23.9 1.0 CB A:HIS378 4.0 13.4 1.0 CA A:LYS374 4.0 15.8 1.0 CG A:HIS378 4.1 14.7 1.0 CA A:PHE377 4.1 12.5 1.0 CE2 A:TRP309 4.1 14.3 1.0 HB2 A:PHE377 4.1 15.0 1.0 C A:PHE377 4.1 14.6 1.0 O A:PHE373 4.2 20.8 1.0 HH11 A:ARG63 4.2 33.1 1.0 C A:LYS374 4.2 15.6 1.0 CA A:GLY375 4.3 17.1 1.0 CA A:HIS378 4.3 11.2 1.0 H A:LEU379 4.4 16.5 1.0 HH12 A:ARG63 4.4 33.1 1.0 CG A:LYS374 4.5 14.7 1.0 NH1 A:ARG63 4.6 27.6 1.0 HG2 A:LYS374 4.6 17.6 1.0 HA3 A:GLY375 4.6 20.6 1.0 CD2 A:PHE377 4.7 19.9 1.0 NE2 A:HIS378 4.7 17.8 1.0 CG A:PHE377 4.7 15.4 1.0 O A:HOH635 4.8 16.8 1.0 CB A:LYS374 4.8 15.7 1.0 CD1 A:TRP309 4.9 14.3 1.0 HB3 A:HIS378 4.9 16.1 1.0 HB3 A:TRP310 4.9 18.5 1.0 N A:PRO376 4.9 15.0 1.0 HA A:HIS378 4.9 13.5 1.0 C A:PRO376 5.0 17.1 1.0 HD3 A:ARG63 5.0 23.2 1.0

Chlorine binding site 2 out of 2 in the Room-Temperature Structure of Pedobacter Heparinus N-Acetylglucosamine 2-Epimerase at Atmospheric Pressure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Room-Temperature Structure of Pedobacter Heparinus N-Acetylglucosamine 2-Epimerase at Atmospheric Pressure within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:17.7 occ:1.00 H B:HIS378 2.5 19.8 1.0 H B:GLY375 2.6 21.9 1.0 HD2 B:HIS378 2.7 25.9 1.0 HE1 B:TRP309 2.8 22.7 1.0 HB3 B:PHE377 2.9 20.9 1.0 O B:HOH699 3.1 18.0 1.0 HZ2 B:TRP309 3.1 21.8 1.0 O B:HOH622 3.2 28.1 1.0 HA B:LYS374 3.2 20.8 1.0 H B:PHE377 3.3 21.8 1.0 O B:GLY375 3.3 19.6 1.0 HB2 B:HIS378 3.3 18.4 1.0 N B:HIS378 3.3 16.5 1.0 N B:GLY375 3.4 18.3 1.0 CD2 B:HIS378 3.5 21.6 1.0 NE1 B:TRP309 3.5 18.9 1.0 HG3 B:LYS374 3.7 20.6 1.0 CB B:PHE377 3.8 17.4 1.0 CZ2 B:TRP309 3.8 18.2 1.0 N B:PHE377 3.9 18.1 1.0 C B:GLY375 4.0 15.5 1.0 HD2 B:PHE377 4.0 27.1 1.0 CB B:HIS378 4.0 15.3 1.0 CE2 B:TRP309 4.0 16.9 1.0 CA B:LYS374 4.1 17.3 1.0 CG B:HIS378 4.1 16.8 1.0 CA B:PHE377 4.1 17.9 1.0 HH11 B:ARG63 4.2 35.9 1.0 O B:PHE373 4.2 22.5 1.0 C B:PHE377 4.2 17.5 1.0 HB2 B:PHE377 4.2 20.9 1.0 C B:LYS374 4.3 17.9 1.0 CA B:HIS378 4.3 14.6 1.0 CA B:GLY375 4.3 19.2 1.0 H B:LEU379 4.3 19.9 1.0 HH12 B:ARG63 4.4 35.9 1.0 CG B:LYS374 4.5 17.2 1.0 NH1 B:ARG63 4.5 29.9 1.0 HG2 B:LYS374 4.6 20.6 1.0 CD2 B:PHE377 4.7 22.6 1.0 HA3 B:GLY375 4.7 23.1 1.0 NE2 B:HIS378 4.7 20.2 1.0 O3 B:PO4502 4.7 52.7 0.6 O B:HOH633 4.7 19.9 1.0 CD1 B:TRP309 4.7 16.5 1.0 CG B:PHE377 4.7 18.7 1.0 CB B:LYS374 4.8 15.5 1.0 HB3 B:TRP310 4.8 19.6 1.0 HB3 B:HIS378 4.8 18.4 1.0 HA B:HIS378 4.9 17.5 1.0 N B:PRO376 4.9 19.0 1.0 HE2 B:HIS378 4.9 24.3 1.0 C B:PRO376 5.0 19.4 1.0 HD3 B:ARG63 5.0 27.6 1.0

J.Lieske, S.Saouane, S.Guenther, P.Y.A.Reinke, S.Falke, W.Ewert, J.Meyer, T.Pakendorf, B.Reime, A.Burkhardt, E.Crosas, J.Hakanpaeae, K.Stachnik, J.Sieg, M.Rarey, M.Assmann, H.Zaun, J.Kuballa, H.N.Chapman, A.Meents. High-Pressure Macromolecular Crystallography to Explore the Conformational Space of Proteins To Be Published.