Chlorine in PDB 6ta2: Human Nampt in Complex with Nicotinic Acid Mononucleotide and Phosphate

All present enzymatic activity of Human Nampt in Complex with Nicotinic Acid Mononucleotide and Phosphate:
2.4.2.12;

The structure of Human Nampt in Complex with Nicotinic Acid Mononucleotide and Phosphate, PDB code: 6ta2 was solved by D.Houry, A.Raasakka, P.Kursula, M.Ziegler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	82.52 / 1.68
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.795, 106.711, 83.093, 90.00, 96.72, 90.00
R / Rfree (%)	18.5 / 22.1

The binding sites of Chlorine atom in the Human Nampt in Complex with Nicotinic Acid Mononucleotide and Phosphate (pdb code 6ta2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Nampt in Complex with Nicotinic Acid Mononucleotide and Phosphate, PDB code: 6ta2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Nampt in Complex with Nicotinic Acid Mononucleotide and Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Nampt in Complex with Nicotinic Acid Mononucleotide and Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:23.8 occ:1.00 HH B:TYR18 2.2 16.8 1.0 HH12 A:ARG311 2.2 26.4 1.0 O A:HOH740 2.8 23.4 1.0 H1' A:NCN501 2.9 29.6 1.0 OH B:TYR18 3.0 14.0 1.0 NH1 A:ARG311 3.0 22.0 1.0 HH22 A:ARG311 3.0 20.8 1.0 HB2 A:GLU246 3.1 17.2 1.0 HA A:GLU246 3.1 16.7 1.0 HE1 B:TYR18 3.2 24.9 1.0 O A:HOH662 3.4 29.6 1.0 HH11 A:ARG311 3.5 26.4 1.0 H A:HIS247 3.6 17.1 1.0 NH2 A:ARG311 3.7 17.3 1.0 H2 A:NCN501 3.7 21.6 1.0 CB A:GLU246 3.7 14.3 1.0 HB3 A:GLU246 3.7 17.2 1.0 O B:HOH854 3.7 17.8 1.0 CZ A:ARG311 3.8 18.4 1.0 C1' A:NCN501 3.8 24.7 1.0 CA A:GLU246 3.9 13.9 1.0 CE1 B:TYR18 3.9 20.7 1.0 CZ B:TYR18 3.9 15.5 1.0 HH12 A:ARG196 4.0 22.4 1.0 C2 A:NCN501 4.1 18.0 1.0 ND1 A:HIS247 4.2 17.5 1.0 N1 A:NCN501 4.2 15.2 1.0 N A:HIS247 4.3 14.2 1.0 HH22 A:ARG196 4.3 26.9 1.0 HE1 A:HIS247 4.4 24.5 1.0 HH21 A:ARG311 4.5 20.8 1.0 O4' A:NCN501 4.5 23.7 1.0 O A:ALA245 4.6 16.5 1.0 CE1 A:HIS247 4.6 20.4 1.0 HG21 A:VAL277 4.6 19.6 1.0 C A:GLU246 4.6 15.0 1.0 HG11 A:VAL277 4.7 16.8 1.0 NH1 A:ARG196 4.7 18.7 1.0 O2' A:NCN501 4.8 27.0 1.0 C2' A:NCN501 4.9 22.8 1.0 O B:HOH665 4.9 25.5 1.0 O B:HOH702 4.9 18.0 1.0 NH2 A:ARG196 4.9 22.4 1.0 O3' A:NCN501 4.9 22.9 1.0 HB A:VAL277 5.0 19.2 1.0

Chlorine binding site 2 out of 2 in the Human Nampt in Complex with Nicotinic Acid Mononucleotide and Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Nampt in Complex with Nicotinic Acid Mononucleotide and Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:25.5 occ:1.00 HH A:TYR18 2.2 17.4 1.0 HH12 B:ARG311 2.3 24.5 1.0 O B:HOH753 2.8 25.8 1.0 H1' B:NCN502 2.9 28.6 1.0 OH A:TYR18 3.0 14.5 1.0 NH1 B:ARG311 3.1 20.4 1.0 HH22 B:ARG311 3.1 24.0 1.0 HB2 B:GLU246 3.1 13.7 1.0 O B:HOH628 3.1 30.6 1.0 HA B:GLU246 3.2 19.5 1.0 HE1 A:TYR18 3.3 22.1 1.0 HH11 B:ARG311 3.6 24.5 1.0 H B:HIS247 3.7 19.4 1.0 CB B:GLU246 3.8 11.4 1.0 NH2 B:ARG311 3.8 20.0 1.0 O A:HOH860 3.8 21.7 1.0 H2 B:NCN502 3.8 21.5 1.0 C1' B:NCN502 3.8 23.8 1.0 HB3 B:GLU246 3.8 13.7 1.0 CZ B:ARG311 3.9 21.0 1.0 CA B:GLU246 3.9 16.3 1.0 CE1 A:TYR18 3.9 18.4 1.0 HH12 B:ARG196 3.9 24.2 1.0 CZ A:TYR18 4.0 18.0 1.0 C2 B:NCN502 4.1 17.9 1.0 ND1 B:HIS247 4.2 18.2 1.0 N1 B:NCN502 4.2 18.6 1.0 HE1 B:HIS247 4.3 26.2 1.0 N B:HIS247 4.3 16.1 1.0 O4' B:NCN502 4.5 27.3 1.0 CE1 B:HIS247 4.5 21.8 1.0 HH22 B:ARG196 4.5 24.8 1.0 HH21 B:ARG311 4.6 24.0 1.0 HG21 B:VAL277 4.6 21.5 1.0 NH1 B:ARG196 4.6 20.1 1.0 HG11 B:VAL277 4.6 15.0 1.0 C B:GLU246 4.7 14.4 1.0 O B:ALA245 4.7 16.7 1.0 O2' B:NCN502 4.8 31.8 1.0 O3' B:NCN502 4.8 23.6 1.0 O A:HOH840 4.8 19.9 1.0 C2' B:NCN502 4.9 24.9 1.0 O A:HOH694 4.9 26.9 1.0

D.Houry, A.Raasakka, P.Kursula, M.Ziegler. Identification of Structural Determinants of Nampt Activity and Substrate Selectivity To Be Published.