Sodium in PDB 3avp: Pantothenate Kinase From Mycobacterium Tuberculosis (Mtpank) in Complex with Pantothenol

All present enzymatic activity of Pantothenate Kinase From Mycobacterium Tuberculosis (Mtpank) in Complex with Pantothenol:
2.7.1.33;

The structure of Pantothenate Kinase From Mycobacterium Tuberculosis (Mtpank) in Complex with Pantothenol, PDB code: 3avp was solved by B.Chetnani, P.Kumar, K.V.Abhinav, M.Chhibber, A.Surolia, M.Vijayan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.22 / 2.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.649, 103.649, 91.155, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 23.3

The binding sites of Sodium atom in the Pantothenate Kinase From Mycobacterium Tuberculosis (Mtpank) in Complex with Pantothenol (pdb code 3avp). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Pantothenate Kinase From Mycobacterium Tuberculosis (Mtpank) in Complex with Pantothenol, PDB code: 3avp:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Pantothenate Kinase From Mycobacterium Tuberculosis (Mtpank) in Complex with Pantothenol


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Pantothenate Kinase From Mycobacterium Tuberculosis (Mtpank) in Complex with Pantothenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Na315 b:60.3 occ:1.00 OG1 A:FLC314 2.5 76.5 1.0 O A:HOH354 2.5 48.3 1.0 O A:HOH410 2.6 56.5 1.0 O3 A:GOL321 3.7 85.2 1.0 CGC A:FLC314 3.8 76.5 1.0 CA A:GLY39 3.8 41.6 1.0 NH2 A:ARG108 3.9 39.1 1.0 C3 A:GOL321 4.2 85.2 1.0 NH1 A:ARG108 4.2 39.1 1.0 CG A:FLC314 4.5 76.5 1.0 CZ A:ARG108 4.5 39.1 1.0 N A:GLY39 4.7 41.6 1.0 OG2 A:FLC314 4.7 76.5 1.0 C2 A:GOL321 4.7 85.2 1.0 CA A:FLC314 4.8 76.5 1.0 N A:LEU40 4.8 43.8 1.0 C A:GLY39 4.9 41.6 1.0

Sodium binding site 2 out of 2 in the Pantothenate Kinase From Mycobacterium Tuberculosis (Mtpank) in Complex with Pantothenol


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Pantothenate Kinase From Mycobacterium Tuberculosis (Mtpank) in Complex with Pantothenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Na316 b:60.5 occ:1.00 O2 A:GOL318 2.4 79.5 1.0 O A:ALA157 2.7 38.3 1.0 O A:HOH440 2.7 56.4 1.0 C A:ALA157 3.4 38.3 1.0 CA A:ALA157 3.6 38.3 1.0 N A:PHE161 3.7 36.8 1.0 CB A:ALA157 3.8 22.8 1.0 NH1 A:ARG160 3.8 63.5 1.0 C2 A:GOL318 3.9 79.5 1.0 CB A:ARG160 3.9 63.5 1.0 CB A:PHE161 4.0 36.7 1.0 CA A:PHE161 4.1 36.8 1.0 O1 A:GOL318 4.2 79.5 1.0 CE2 A:PHE131 4.3 32.6 1.0 C A:ARG160 4.4 40.0 1.0 O A:CYS173 4.4 45.2 1.0 N A:LEU158 4.6 40.0 1.0 C1 A:GOL318 4.6 79.5 1.0 O3 A:GOL318 4.6 79.5 1.0 C3 A:GOL318 4.6 79.5 1.0 CA A:ARG160 4.6 40.0 1.0 CZ A:PHE131 4.9 32.6 1.0 CZ A:ARG160 5.0 63.5 1.0 N A:ALA157 5.0 38.3 1.0 CG A:ARG160 5.0 63.5 1.0

B.Chetnani, P.Kumar, K.V.Abhinav, M.Chhibber, A.Surolia, M.Vijayan. Location and Conformation of Pantothenate and Its Derivatives in Mycobacterium Tuberculosis Pantothenate Kinase: Insights Into Enzyme Action Acta Crystallogr.,Sect.D V. 67 774 2011.
ISSN: ISSN 0907-4449
PubMed: 21904030
DOI: 10.1107/S0907444911024462