Sodium in PDB 3hkv: Human Poly(Adp-Ribose) Polymerase 10, Catalytic Fragment in Complex with An Inhibitor 3-Aminobenzamide

All present enzymatic activity of Human Poly(Adp-Ribose) Polymerase 10, Catalytic Fragment in Complex with An Inhibitor 3-Aminobenzamide:
2.4.2.30;

The structure of Human Poly(Adp-Ribose) Polymerase 10, Catalytic Fragment in Complex with An Inhibitor 3-Aminobenzamide, PDB code: 3hkv was solved by T.Karlberg, M.Moche, C.H.Arrowsmith, H.Berglund, C.Bountra, R.Collins, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, A.Johansson, I.Johansson, T.Kotenyova, A.Kotzsch, T.K.Nielsen, P.Nordlund, T.Nyman, C.Persson, A.K.Roos, J.Sagemark, P.Schutz, M.I.Siponen, A.G.Thorsell, L.Tresaugues, S.Van Den Berg, J.Weigelt, M.Welin, M.Wisniewska, H.Schuler, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.84 / 2.10
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	97.380, 97.380, 121.160, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.2

The binding sites of Sodium atom in the Human Poly(Adp-Ribose) Polymerase 10, Catalytic Fragment in Complex with An Inhibitor 3-Aminobenzamide (pdb code 3hkv). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Human Poly(Adp-Ribose) Polymerase 10, Catalytic Fragment in Complex with An Inhibitor 3-Aminobenzamide, PDB code: 3hkv:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Human Poly(Adp-Ribose) Polymerase 10, Catalytic Fragment in Complex with An Inhibitor 3-Aminobenzamide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Human Poly(Adp-Ribose) Polymerase 10, Catalytic Fragment in Complex with An Inhibitor 3-Aminobenzamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Na5 b:38.8 occ:1.00 O A:HOH144 2.7 60.4 1.0 O A:HOH61 2.9 40.4 1.0 O A:LEU972 2.9 33.2 1.0 O A:GLY967 2.9 37.1 1.0 O A:HIS970 3.1 36.5 1.0 C A:LEU972 3.7 33.7 1.0 CB A:HIS970 3.9 35.2 1.0 C A:HIS970 3.9 35.2 1.0 C A:GLY967 4.0 38.0 1.0 N A:GLY967 4.0 36.2 1.0 CA A:LEU973 4.1 32.1 1.0 N A:LEU973 4.3 32.3 1.0 CB A:ARG966 4.4 33.1 1.0 CA A:HIS970 4.4 35.3 1.0 O A:LEU973 4.4 29.5 1.0 CA A:GLY967 4.5 37.2 1.0 N A:LEU972 4.6 35.3 1.0 C A:VAL971 4.6 36.0 1.0 O A:HOH73 4.6 44.0 1.0 N A:HIS970 4.6 35.9 1.0 O A:VAL971 4.6 36.5 1.0 C A:LEU973 4.6 30.8 1.0 C A:ARG966 4.7 34.4 1.0 CA A:LEU972 4.8 35.0 1.0 N A:VAL971 4.9 35.6 1.0 CA A:ARG966 5.0 33.5 1.0 CG A:HIS970 5.0 34.8 1.0

Sodium binding site 2 out of 2 in the Human Poly(Adp-Ribose) Polymerase 10, Catalytic Fragment in Complex with An Inhibitor 3-Aminobenzamide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Human Poly(Adp-Ribose) Polymerase 10, Catalytic Fragment in Complex with An Inhibitor 3-Aminobenzamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Na4 b:28.0 occ:1.00 O B:LEU972 2.7 27.0 1.0 O B:HOH162 2.7 51.2 1.0 O B:GLY967 2.8 37.5 1.0 O B:HIS970 2.8 31.5 1.0 O B:HOH12 2.8 28.1 1.0 C B:LEU972 3.6 28.2 1.0 C B:GLY967 3.7 38.2 1.0 C B:HIS970 3.8 32.7 1.0 CA B:LEU973 4.0 28.5 1.0 CB B:HIS970 4.1 34.3 1.0 N B:GLY967 4.1 34.4 1.0 N B:LEU973 4.3 28.0 1.0 O B:VAL971 4.4 30.4 1.0 C B:VAL971 4.4 31.4 1.0 CA B:GLY967 4.4 36.9 1.0 CA B:HIS970 4.4 33.8 1.0 O B:LEU973 4.4 27.2 1.0 N B:LEU972 4.5 29.9 1.0 CB B:ARG966 4.5 31.3 1.0 C B:LEU973 4.6 27.0 1.0 N B:HIS970 4.6 35.2 1.0 O B:HOH115 4.7 45.9 1.0 N B:PRO968 4.7 40.8 1.0 CA B:LEU972 4.7 29.9 1.0 N B:VAL971 4.7 32.1 1.0 CA B:PRO968 4.8 41.0 1.0 C B:ARG966 4.8 32.6 1.0 CA B:VAL971 4.9 31.9 1.0 CD1 B:LEU973 4.9 34.6 1.0

T.Karlberg, M.Moche, C.H.Arrowsmith, H.Berglund, C.Bountra, R.Collins, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, A.Johansson, I.Johansson, T.Kotenyova, A.Kotzsch, T.K.Nielsen, P.Nordlund, T.Nyman, C.Persson, A.K.Roos, J.Sagemark, P.Schutz, M.I.Siponen, A.G.Thorsell, L.Tresaugues, S.Van Den Berg, J.Weigelt, M.Welin, M.Wisniewska, H.Schuler. Human Poly(Adp-Ribose) Polymerase 10, Catalytic Fragment in Complex with An Inhibitor 3-Aminobenzamide To Be Published.