Sodium in PDB 3hvu: 1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase From Bacillus Anthracis with 2-(N- Morpholino)Ethanesulfonic Acid (Mes)

The structure of 1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase From Bacillus Anthracis with 2-(N- Morpholino)Ethanesulfonic Acid (Mes), PDB code: 3hvu was solved by G.Minasov, A.Halavaty, L.Shuvalova, I.Dubrovska, J.Winsor, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.96 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.713, 93.377, 94.900, 90.00, 90.03, 90.00
R / Rfree (%)	19.2 / 23.2

The binding sites of Sodium atom in the 1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase From Bacillus Anthracis with 2-(N- Morpholino)Ethanesulfonic Acid (Mes) (pdb code 3hvu). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the 1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase From Bacillus Anthracis with 2-(N- Morpholino)Ethanesulfonic Acid (Mes), PDB code: 3hvu:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the 1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase From Bacillus Anthracis with 2-(N- Morpholino)Ethanesulfonic Acid (Mes)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of 1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase From Bacillus Anthracis with 2-(N- Morpholino)Ethanesulfonic Acid (Mes) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na182 b:51.5 occ:1.00 O A:THR34 2.3 34.7 0.7 O A:THR34 2.5 34.2 0.3 O A:TYR31 2.6 27.7 1.0 OG1 A:THR58 2.6 31.3 1.0 O A:TYR59 2.7 24.2 1.0 C A:THR34 3.3 34.6 0.7 C A:THR34 3.4 34.2 0.3 CG2 A:THR58 3.7 29.3 1.0 CB A:THR58 3.7 28.5 1.0 N A:TYR59 3.7 23.3 1.0 C A:TYR31 3.7 29.3 1.0 C A:TYR59 3.8 24.2 1.0 O A:LYS32 3.8 35.5 1.0 CA A:VAL35 4.0 32.3 1.0 CD A:PRO36 4.0 27.2 1.0 N A:VAL35 4.0 33.3 1.0 CA A:TYR59 4.1 23.3 1.0 C A:LYS32 4.1 33.9 1.0 CB A:TYR59 4.2 22.0 1.0 N A:THR34 4.2 35.9 0.7 N A:THR34 4.2 35.4 0.3 C A:THR58 4.3 25.4 1.0 CA A:THR34 4.3 35.8 0.7 CA A:THR34 4.4 35.0 0.3 CA A:LYS32 4.5 33.0 1.0 CB A:TYR31 4.5 27.3 1.0 N A:LYS32 4.5 30.8 1.0 CA A:THR58 4.5 26.9 1.0 CG2 A:VAL35 4.5 38.0 1.0 C A:ASN33 4.6 36.0 1.0 N A:ASN33 4.7 34.2 1.0 CA A:TYR31 4.7 27.8 1.0 CB A:VAL35 4.9 32.6 1.0 N A:PRO36 4.9 26.5 1.0 C A:VAL35 5.0 28.3 1.0 N A:LEU60 5.0 24.2 1.0

Sodium binding site 2 out of 4 in the 1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase From Bacillus Anthracis with 2-(N- Morpholino)Ethanesulfonic Acid (Mes)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of 1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase From Bacillus Anthracis with 2-(N- Morpholino)Ethanesulfonic Acid (Mes) within 5.0Å range: probe atom residue distance (Å) B Occ B:Na182 b:60.2 occ:1.00 O B:THR34 2.3 33.8 1.0 OG1 B:THR58 2.7 29.2 1.0 O B:TYR59 2.7 24.5 1.0 O B:TYR31 2.9 23.9 1.0 C B:THR34 3.3 31.4 1.0 N B:TYR59 3.6 22.6 1.0 C B:TYR59 3.7 24.3 1.0 O B:HOH270 3.7 40.6 1.0 CB B:THR58 3.8 27.1 1.0 CG2 B:THR58 3.8 24.5 1.0 CA B:VAL35 3.8 30.2 1.0 N B:VAL35 3.9 30.3 1.0 CD B:PRO36 3.9 29.0 1.0 CA B:TYR59 4.0 23.5 1.0 N B:THR34 4.0 32.2 1.0 CB B:TYR59 4.0 22.3 1.0 C B:TYR31 4.0 23.6 1.0 O B:LYS32 4.1 27.9 1.0 CG1 B:VAL35 4.2 33.7 1.0 C B:LYS32 4.2 27.9 1.0 CA B:THR34 4.3 33.1 1.0 C B:THR58 4.3 24.6 1.0 CA B:LYS32 4.5 27.2 1.0 CA B:THR58 4.5 25.2 1.0 CB B:VAL35 4.7 30.1 1.0 N B:LYS32 4.7 25.2 1.0 N B:ASN33 4.8 29.4 1.0 N B:PRO36 4.9 27.1 1.0 CB B:TYR31 4.9 22.0 1.0 N B:LEU60 4.9 26.8 1.0 C B:VAL35 4.9 27.9 1.0 C B:ASN33 5.0 32.1 1.0

Sodium binding site 3 out of 4 in the 1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase From Bacillus Anthracis with 2-(N- Morpholino)Ethanesulfonic Acid (Mes)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of 1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase From Bacillus Anthracis with 2-(N- Morpholino)Ethanesulfonic Acid (Mes) within 5.0Å range: probe atom residue distance (Å) B Occ C:Na182 b:57.0 occ:1.00 O C:THR34 2.5 36.8 1.0 OG1 C:THR58 2.7 27.4 1.0 O C:TYR31 2.7 28.5 1.0 O C:TYR59 2.8 25.2 1.0 C C:THR34 3.2 34.5 1.0 N C:TYR59 3.6 23.5 1.0 CG2 C:THR58 3.7 23.7 1.0 CB C:THR58 3.7 25.8 1.0 CA C:VAL35 3.7 32.1 1.0 C C:TYR59 3.8 24.9 1.0 CG1 C:VAL35 3.8 36.9 1.0 N C:VAL35 3.8 32.8 1.0 C C:TYR31 3.9 28.1 1.0 N C:THR34 4.0 36.3 1.0 CD C:PRO36 4.0 30.0 1.0 O C:LYS32 4.1 30.7 1.0 CA C:TYR59 4.1 23.1 1.0 O A:HOH237 4.1 54.6 1.0 CB C:TYR59 4.2 21.9 1.0 C C:LYS32 4.2 30.9 1.0 CA C:THR34 4.2 36.2 1.0 C C:THR58 4.3 24.3 1.0 CB C:VAL35 4.4 32.1 1.0 CA C:LYS32 4.4 30.0 1.0 CA C:THR58 4.5 24.8 1.0 N C:LYS32 4.6 28.2 1.0 CB C:TYR31 4.7 25.7 1.0 N C:ASN33 4.8 32.2 1.0 N C:PRO36 4.9 29.0 1.0 C C:VAL35 4.9 29.6 1.0 CA C:TYR31 4.9 26.4 1.0 C C:ASN33 5.0 35.6 1.0 N C:LEU60 5.0 26.4 1.0

Sodium binding site 4 out of 4 in the 1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase From Bacillus Anthracis with 2-(N- Morpholino)Ethanesulfonic Acid (Mes)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of 1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase From Bacillus Anthracis with 2-(N- Morpholino)Ethanesulfonic Acid (Mes) within 5.0Å range: probe atom residue distance (Å) B Occ D:Na182 b:57.8 occ:1.00 O D:THR34 2.1 35.9 1.0 OG1 D:THR58 2.5 30.8 1.0 O D:TYR31 2.7 27.0 1.0 O D:TYR59 2.8 25.8 1.0 C D:THR34 3.2 35.0 1.0 N D:TYR59 3.6 25.7 1.0 CB D:THR58 3.6 28.0 1.0 CG2 D:THR58 3.7 30.4 1.0 C D:TYR59 3.7 25.6 1.0 C D:TYR31 3.8 28.1 1.0 O D:LYS32 3.9 34.0 1.0 CD D:PRO36 3.9 27.4 1.0 N D:VAL35 4.0 33.6 1.0 CA D:VAL35 4.0 32.0 1.0 CA D:TYR59 4.0 24.7 1.0 N D:THR34 4.1 36.3 1.0 CB D:TYR59 4.1 24.7 1.0 C D:LYS32 4.2 33.3 1.0 C D:THR58 4.2 26.5 1.0 CA D:THR34 4.3 36.3 1.0 CG1 D:VAL35 4.4 36.4 1.0 CA D:THR58 4.4 27.5 1.0 CB D:TYR31 4.6 26.9 1.0 CA D:LYS32 4.6 31.9 1.0 C D:ASN33 4.6 36.5 1.0 N D:LYS32 4.6 29.6 1.0 N D:ASN33 4.7 34.4 1.0 CA D:TYR31 4.8 26.7 1.0 CB D:VAL35 4.9 32.5 1.0 N D:PRO36 5.0 27.3 1.0 N D:LEU60 5.0 25.2 1.0

G.Minasov, A.Halavaty, L.Shuvalova, I.Dubrovska, J.Winsor, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase From Bacillus Anthracis with 2-(N-Morpholino)Ethanesulfonic Acid (Mes) To Be Published.