Chlorine in PDB 8bs0: Room-Temperature Structure of Pedobacter Heparinus N-Acetylglucosamine 2-Epimerase at 80 Mpa Helium Gas Pressure in A Sapphire Capillary

The structure of Room-Temperature Structure of Pedobacter Heparinus N-Acetylglucosamine 2-Epimerase at 80 Mpa Helium Gas Pressure in A Sapphire Capillary, PDB code: 8bs0 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)	39.79 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.35, 93.98, 81.52, 90, 102.55, 90
R / Rfree (%)	15.6 / 18.1

The binding sites of Chlorine atom in the Room-Temperature Structure of Pedobacter Heparinus N-Acetylglucosamine 2-Epimerase at 80 Mpa Helium Gas Pressure in A Sapphire Capillary (pdb code 8bs0). 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 80 Mpa Helium Gas Pressure in A Sapphire Capillary, PDB code: 8bs0:
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 80 Mpa Helium Gas Pressure in A Sapphire Capillary


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 80 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:15.0 occ:1.00 H A:HIS378 2.4 19.4 1.0 H A:GLY375 2.5 16.8 1.0 HD2 A:HIS378 2.7 20.3 1.0 HB3 A:PHE377 2.7 17.9 1.0 HE1 A:TRP309 2.9 19.4 1.0 HZ2 A:TRP309 3.1 17.1 1.0 O A:HOH658 3.1 15.2 1.0 O A:HOH676 3.2 20.6 1.0 HA A:LYS374 3.2 15.4 1.0 H A:PHE377 3.2 16.1 1.0 O A:GLY375 3.3 16.5 1.0 HB2 A:HIS378 3.3 16.7 1.0 N A:HIS378 3.3 16.2 1.0 N A:GLY375 3.4 14.0 1.0 CD2 A:HIS378 3.5 16.9 1.0 CB A:PHE377 3.6 14.9 1.0 NE1 A:TRP309 3.6 16.1 1.0 HG3 A:LYS374 3.7 18.0 1.0 N A:PHE377 3.8 13.4 1.0 CZ2 A:TRP309 3.8 14.2 1.0 C A:GLY375 3.9 18.3 1.0 CB A:HIS378 3.9 13.9 1.0 HD2 A:PHE377 4.0 20.2 1.0 HB2 A:PHE377 4.0 17.9 1.0 HH11 A:ARG63 4.0 33.1 1.0 CG A:HIS378 4.0 15.8 1.0 CA A:LYS374 4.0 12.9 1.0 CA A:PHE377 4.0 14.6 1.0 CE2 A:TRP309 4.1 16.7 1.0 O A:PHE373 4.1 18.9 1.0 C A:PHE377 4.1 18.0 1.0 C A:LYS374 4.2 15.2 1.0 CA A:HIS378 4.2 13.4 1.0 CA A:GLY375 4.2 16.5 1.0 HH12 A:ARG63 4.3 33.1 1.0 H A:LEU379 4.3 17.6 1.0 NH1 A:ARG63 4.4 27.6 1.0 CG A:LYS374 4.5 15.0 1.0 HG2 A:LYS374 4.6 18.0 1.0 HA3 A:GLY375 4.6 19.8 1.0 CG A:PHE377 4.7 15.0 1.0 CD2 A:PHE377 4.7 16.9 1.0 O A:HOH668 4.7 15.7 1.0 NE2 A:HIS378 4.7 17.4 1.0 HB3 A:HIS378 4.8 16.7 1.0 CB A:LYS374 4.8 15.6 1.0 HB3 A:TRP310 4.8 14.5 1.0 HD3 A:ARG63 4.9 19.1 1.0 CD1 A:TRP309 4.9 14.1 1.0 HA A:HIS378 4.9 16.0 1.0 N A:PRO376 4.9 14.5 1.0 C A:PRO376 4.9 16.3 1.0 O2 A:PO4501 5.0 48.4 1.0 C A:PHE373 5.0 20.5 1.0

Chlorine binding site 2 out of 2 in the Room-Temperature Structure of Pedobacter Heparinus N-Acetylglucosamine 2-Epimerase at 80 Mpa Helium Gas Pressure in A Sapphire Capillary


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 80 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:19.4 occ:1.00 H B:HIS378 2.5 20.8 1.0 H B:GLY375 2.6 23.3 1.0 HD2 B:HIS378 2.6 20.0 1.0 HB3 B:PHE377 2.8 21.8 1.0 HE1 B:TRP309 2.8 23.2 1.0 O B:HOH669 3.0 16.8 1.0 HZ2 B:TRP309 3.0 18.2 1.0 O B:HOH645 3.1 24.8 1.0 HA B:LYS374 3.2 17.1 1.0 H B:PHE377 3.2 24.7 1.0 HB2 B:HIS378 3.3 19.3 1.0 N B:HIS378 3.3 17.4 1.0 O B:GLY375 3.4 19.4 1.0 N B:GLY375 3.4 19.5 1.0 CD2 B:HIS378 3.4 16.7 1.0 NE1 B:TRP309 3.5 19.3 1.0 CB B:PHE377 3.7 18.2 1.0 HG3 B:LYS374 3.7 16.8 1.0 CZ2 B:TRP309 3.8 15.2 1.0 N B:PHE377 3.8 20.6 1.0 CB B:HIS378 4.0 16.1 1.0 HD2 B:PHE377 4.0 22.9 1.0 CE2 B:TRP309 4.0 18.6 1.0 C B:GLY375 4.0 16.8 1.0 CA B:LYS374 4.0 14.3 1.0 CG B:HIS378 4.0 18.0 1.0 HB2 B:PHE377 4.0 21.8 1.0 CA B:PHE377 4.1 19.6 1.0 O B:PHE373 4.1 20.4 1.0 C B:PHE377 4.2 15.7 1.0 HH11 B:ARG63 4.2 35.2 1.0 C B:LYS374 4.2 16.1 1.0 CA B:HIS378 4.2 15.4 1.0 CA B:GLY375 4.3 15.7 1.0 H B:LEU379 4.3 21.5 1.0 HH12 B:ARG63 4.4 35.2 1.0 NH1 B:ARG63 4.5 29.3 1.0 CG B:LYS374 4.5 14.0 1.0 NE2 B:HIS378 4.6 20.9 1.0 HA3 B:GLY375 4.6 18.9 1.0 CD2 B:PHE377 4.7 19.1 1.0 CG B:PHE377 4.7 15.7 1.0 O B:HOH622 4.7 19.2 1.0 CD1 B:TRP309 4.7 16.6 1.0 HB3 B:TRP310 4.7 21.4 1.0 CB B:LYS374 4.8 17.0 1.0 HG2 B:LYS374 4.8 16.8 1.0 HB3 B:HIS378 4.8 19.3 1.0 HE2 B:HIS378 4.9 25.1 1.0 HA B:HIS378 4.9 18.4 1.0 HD3 B:ARG63 4.9 24.3 1.0 C B:PRO376 5.0 16.5 1.0 N B:PRO376 5.0 20.7 1.0 C B:PHE373 5.0 19.9 1.0 HB2 B:LYS374 5.0 20.4 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.