Sodium in PDB 4kyv: Crystal Structure of Dehalogenase HALOTAG2 with Halts at the Resolution 1.8A. Northeast Structural Genomics Consortium (Nesg) Target OR150

The structure of Crystal Structure of Dehalogenase HALOTAG2 with Halts at the Resolution 1.8A. Northeast Structural Genomics Consortium (Nesg) Target OR150, PDB code: 4kyv was solved by A.Kuzin, S.Lew, J.Seetharaman, M.Maglaqui, R.Xiao, E.Kohan, H.Wang, J.K.Everett, T.B.Acton, G.Kornhaber, G.T.Montelione, J.F.Hunt, L.Tong, Northeast Structural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.61 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.938, 94.770, 73.483, 90.00, 93.11, 90.00
R / Rfree (%)	15.3 / 18.8

The binding sites of Sodium atom in the Crystal Structure of Dehalogenase HALOTAG2 with Halts at the Resolution 1.8A. Northeast Structural Genomics Consortium (Nesg) Target OR150 (pdb code 4kyv). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the Crystal Structure of Dehalogenase HALOTAG2 with Halts at the Resolution 1.8A. Northeast Structural Genomics Consortium (Nesg) Target OR150, PDB code: 4kyv:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the Crystal Structure of Dehalogenase HALOTAG2 with Halts at the Resolution 1.8A. Northeast Structural Genomics Consortium (Nesg) Target OR150


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Dehalogenase HALOTAG2 with Halts at the Resolution 1.8A. Northeast Structural Genomics Consortium (Nesg) Target OR150 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na402 b:33.2 occ:1.00 OD1 A:ASP291 2.2 34.2 1.0 NE2 A:HIS65 2.6 12.8 1.0 O A:HOH599 2.9 19.0 1.0 O A:ASN61 3.2 10.4 1.0 CG A:ASP291 3.4 30.4 1.0 CA A:ASP291 3.4 14.6 1.0 CD2 A:HIS65 3.4 12.9 1.0 CE1 A:HIS65 3.6 15.8 1.0 N A:ASP291 3.7 9.6 1.0 CB A:ASP291 3.9 18.2 1.0 C A:PRO290 4.0 9.4 1.0 O A:PRO290 4.2 11.7 1.0 O A:HOH625 4.3 26.0 1.0 O A:HOH711 4.3 36.4 1.0 C A:ASN61 4.3 12.3 1.0 O A:HOH643 4.3 25.2 1.0 OD2 A:ASP291 4.4 33.7 1.0 CB A:ASN61 4.5 9.6 1.0 CB A:PRO290 4.5 9.1 1.0 CG A:HIS65 4.6 12.7 1.0 C A:ASP291 4.7 11.8 1.0 ND1 A:HIS65 4.7 13.2 1.0 O A:HOH618 4.7 23.0 1.0 CG A:PRO290 4.8 9.2 1.0 CA A:ASN61 4.8 8.7 1.0 O A:ASP291 4.9 11.2 1.0 CA A:PRO290 4.9 9.2 1.0

Sodium binding site 2 out of 4 in the Crystal Structure of Dehalogenase HALOTAG2 with Halts at the Resolution 1.8A. Northeast Structural Genomics Consortium (Nesg) Target OR150


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Dehalogenase HALOTAG2 with Halts at the Resolution 1.8A. Northeast Structural Genomics Consortium (Nesg) Target OR150 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na403 b:21.2 occ:1.00 ND2 A:ASN52 2.1 39.4 1.0 CG A:ASN52 2.6 26.6 1.0 O A:LEU213 2.7 12.1 1.0 OD1 A:ASN52 2.8 36.3 1.0 CD A:PRO217 3.2 9.5 1.0 CZ A:PHE179 3.4 9.1 1.0 CE1 A:PHE179 3.4 12.1 1.0 C A:LEU213 3.4 11.8 1.0 CA A:LEU213 3.4 9.4 1.0 CE2 A:PHE179 3.5 9.8 1.0 CD1 A:PHE179 3.5 13.2 1.0 CD2 A:PHE179 3.6 10.6 1.0 CG A:PHE179 3.6 9.3 1.0 CB A:ASN52 3.8 18.7 1.0 CG A:PRO217 3.9 11.9 1.0 CB A:LEU213 4.0 9.3 1.0 CD2 A:LEU213 4.1 11.4 1.0 CB A:LEU216 4.2 11.7 1.0 N5 A:1Q9401 4.4 17.0 1.0 N A:PRO217 4.4 9.5 1.0 O A:PRO212 4.5 13.3 1.0 CB A:PHE179 4.6 9.5 1.0 N4 A:1Q9401 4.6 19.9 1.0 N A:LEU213 4.7 9.4 1.0 CG A:LEU213 4.7 9.4 1.0 N A:TRP214 4.7 10.1 1.0 CB A:PRO53 4.7 12.4 1.0 CD1 A:LEU216 4.9 16.2 1.0 CB A:PRO217 4.9 9.6 1.0 CA A:LEU216 4.9 10.4 1.0 CA A:ASN52 5.0 10.9 1.0

Sodium binding site 3 out of 4 in the Crystal Structure of Dehalogenase HALOTAG2 with Halts at the Resolution 1.8A. Northeast Structural Genomics Consortium (Nesg) Target OR150


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of Dehalogenase HALOTAG2 with Halts at the Resolution 1.8A. Northeast Structural Genomics Consortium (Nesg) Target OR150 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na402 b:47.8 occ:1.00 OD1 B:ASP291 2.3 39.4 1.0 NE2 B:HIS65 2.6 13.4 1.0 O B:HOH623 3.0 26.5 1.0 O B:ASN61 3.0 15.5 1.0 CA B:ASP291 3.4 18.2 1.0 CG B:ASP291 3.4 36.9 1.0 CD2 B:HIS65 3.4 13.3 1.0 N B:ASP291 3.6 17.3 1.0 CE1 B:HIS65 3.6 17.1 1.0 C B:PRO290 3.9 16.1 1.0 O B:HOH682 3.9 33.9 1.0 CB B:ASP291 4.0 25.8 1.0 O B:PRO290 4.1 16.2 1.0 C B:ASN61 4.1 16.9 1.0 CB B:ASN61 4.3 11.1 1.0 CB B:PRO290 4.4 12.6 1.0 OD2 B:ASP291 4.5 40.3 1.0 C B:ASP291 4.6 17.4 1.0 O B:HOH619 4.6 29.4 1.0 CG B:HIS65 4.6 12.4 1.0 CG B:PRO290 4.7 16.7 1.0 CA B:ASN61 4.7 11.9 1.0 ND1 B:HIS65 4.7 18.6 1.0 O B:ASP291 4.8 17.6 1.0 CA B:PRO290 4.9 14.7 1.0

Sodium binding site 4 out of 4 in the Crystal Structure of Dehalogenase HALOTAG2 with Halts at the Resolution 1.8A. Northeast Structural Genomics Consortium (Nesg) Target OR150


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Crystal Structure of Dehalogenase HALOTAG2 with Halts at the Resolution 1.8A. Northeast Structural Genomics Consortium (Nesg) Target OR150 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na403 b:32.0 occ:1.00 OD1 B:ASN52 2.2 40.5 1.0 O B:LEU213 2.6 9.8 1.0 CG B:ASN52 2.6 24.9 1.0 ND2 B:ASN52 3.0 38.5 1.0 CE2 B:PHE179 3.1 21.8 1.0 CD B:PRO217 3.2 13.1 1.0 CZ B:PHE179 3.3 18.2 1.0 CD2 B:PHE179 3.3 18.6 1.0 C B:LEU213 3.4 14.4 1.0 CA B:LEU213 3.5 10.0 1.0 CG B:PHE179 3.5 13.5 1.0 CE1 B:PHE179 3.5 15.4 1.0 CD1 B:PHE179 3.6 12.0 1.0 CB B:ASN52 3.8 18.1 1.0 CG B:PRO217 3.9 13.5 1.0 CB B:LEU213 3.9 9.7 1.0 CB B:LEU216 4.1 9.3 1.0 N5 B:1Q9401 4.2 17.7 1.0 N4 B:1Q9401 4.2 15.7 1.0 CD2 B:LEU213 4.3 10.7 1.0 N B:PRO217 4.3 11.0 1.0 CB B:PHE179 4.5 12.9 1.0 O B:PRO212 4.6 11.9 1.0 N B:TRP214 4.7 11.0 1.0 N B:LEU213 4.7 9.7 1.0 CG B:LEU213 4.8 10.1 1.0 CD1 B:LEU216 4.8 9.1 1.0 CA B:LEU216 4.8 9.4 1.0 CB B:PRO217 4.9 9.9 1.0 N B:LEU216 5.0 9.6 1.0 CB B:PRO53 5.0 12.4 1.0 CG B:LEU216 5.0 11.2 1.0 N1 B:1Q9401 5.0 15.3 1.0 C B:LEU216 5.0 10.9 1.0

A.Kuzin, S.Lew, J.Seetharaman, M.Maglaqui, R.Xiao, E.Kohan, H.Wang, J.K.Everett, T.B.Acton, G.Kornhaber, G.T.Montelione, J.F.Hunt, L.Tong. Northeast Structural Genomics Consortium Target OR150 To Be Published.