Sodium in PDB 4eoh: Crystal Structure of Human Pl Kinase with Bound Theophylline

All present enzymatic activity of Crystal Structure of Human Pl Kinase with Bound Theophylline:
2.7.1.35;

The structure of Crystal Structure of Human Pl Kinase with Bound Theophylline, PDB code: 4eoh was solved by M.K.Safo, A.K.Gandhi, F.N.Musayev, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.19 / 2.10
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.302, 115.848, 171.904, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 25.4

The binding sites of Sodium atom in the Crystal Structure of Human Pl Kinase with Bound Theophylline (pdb code 4eoh). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Human Pl Kinase with Bound Theophylline, PDB code: 4eoh:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Human Pl Kinase with Bound Theophylline


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 Human Pl Kinase with Bound Theophylline within 5.0Å range: probe atom residue distance (Å) B Occ A:Na401 b:79.1 occ:1.00 O A:HOH645 2.6 43.5 1.0 O A:HOH537 2.7 69.8 1.0 O A:HOH539 2.8 58.4 1.0 O A:HOH536 2.8 73.5 1.0 O A:HOH538 3.1 50.9 1.0 OE2 A:GLU153 3.6 39.8 1.0 OE1 A:GLU153 3.6 43.0 1.0 O A:HOH565 3.7 79.3 1.0 CD A:GLU153 4.0 38.4 1.0 OD1 A:ASP113 4.0 51.5 1.0 ND2 A:ASN150 4.1 47.9 1.0 OD2 A:ASP113 4.2 44.4 1.0 CG A:ASP113 4.5 56.9 1.0 CG2 A:VAL115 4.7 37.6 1.0 CG A:ASN150 4.7 55.2 1.0 O A:THR148 4.8 30.5 1.0 CB A:ASN150 4.8 38.5 1.0 O A:HOH590 4.9 82.7 1.0 O A:HOH631 4.9 54.8 1.0 N A:ASN150 4.9 33.8 1.0 CA A:VAL115 5.0 49.4 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Human Pl Kinase with Bound Theophylline


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 Human Pl Kinase with Bound Theophylline within 5.0Å range: probe atom residue distance (Å) B Occ B:Na401 b:89.2 occ:1.00 O B:HOH691 2.6 55.2 1.0 O B:HOH615 2.7 62.7 1.0 O B:HOH628 2.9 85.9 1.0 O B:HOH690 2.9 64.6 1.0 OE1 B:GLU153 3.6 40.9 1.0 OD2 B:ASP113 4.0 37.9 1.0 ND2 B:ASN150 4.0 39.0 1.0 O B:HOH692 4.1 75.1 1.0 O B:HOH627 4.1 76.7 1.0 OE2 B:GLU153 4.2 49.7 1.0 CD B:GLU153 4.2 50.4 1.0 OG1 B:THR186 4.3 65.2 1.0 OD1 B:ASP113 4.4 38.5 1.0 O B:THR148 4.4 30.3 1.0 CB B:ASN150 4.5 38.5 1.0 CG B:ASN150 4.5 41.8 1.0 CG B:ASP113 4.6 34.9 1.0 N B:ASN150 4.7 32.4 1.0 O B:HOH579 5.0 36.9 1.0

A.K.Gandhi, J.V.Desai, M.S.Ghatge, M.L.Di Salvo, S.Di Biase, R.Danso-Danquah, F.N.Musayev, R.Contestabile, V.Schirch, M.K.Safo. Crystal Structures of Human Pyridoxal Kinase in Complex with the Neurotoxins, Ginkgotoxin and Theophylline: Insights Into Pyridoxal Kinase Inhibition. Plos One V. 7 40954 2012.
ISSN: ESSN 1932-6203
PubMed: 22879864
DOI: 10.1371/JOURNAL.PONE.0040954