Receptor
PDB id Resolution Class Description Source Keywords
2QSZ 1.9 Å EC: 2.7.1.- HUMAN NICOTINAMIDE RIBOSIDE KINASE 1 IN COMPLEX WITH NICOTIN MONONUCLEOTIDE HOMO SAPIENS NON-PROTEIN KINASE NAD+ NICOTINAMIDE RIBOSIDE NRK1 NICOTRIBOSIDE KINASE ACTIVITY NICOTINIC ACID RIBOSIDE KINASE ACNAD BIOSYNTHESIS ADP STRUCTURAL GENOMICS STRUCTURAL GENOCONSORTIUM SGC ALTERNATIVE SPLICING ATP-BINDING NUCLEOTBINDING PYRIDINE NUCLEOTIDE BIOSYNTHESIS TRANSFERASE
Ref.: NICOTINAMIDE RIBOSIDE KINASE STRUCTURES REVEAL NEW TO NAD(+). PLOS BIOL. V. 5 E263 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:204;
Invalid;
none;
submit data
35.453 Cl [Cl-]
NMN A:201;
Valid;
none;
submit data
335.227 C11 H16 N2 O8 P c1cc(...
PO4 A:203;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
UNX A:1001;
A:1002;
A:1003;
A:1004;
A:1005;
A:1006;
A:1007;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
n/a X *
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QG6 1.5 Å EC: 2.7.1.- CRYSTAL STRUCTURE OF HUMAN NICOTINAMIDE RIBOSIDE KINASE (NRK COMPLEX WITH NICOTINAMIDE MONONUCLEOTIDE (NMN) HOMO SAPIENS NRK NICOTINAMIDE RIBOSIDE KINASE NAD+ NUCLEOSIDE MONOPHOS(NMP) KINASE NICOTINAMIDE MONONUCLEOTIDE ADP TIAZOFURINSIGNALING PROTEIN TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF HUMAN NICOTINAMIDE RIBOSIDE KI STRUCTURE V. 15 1005 2007
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2QT0 - NNR C11 H15 N2 O5 c1cc(c[n+]....
2 2P0E - TIZ C9 H12 N2 O5 S c1c(nc(s1)....
3 2QSY - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 2QSZ - NMN C11 H16 N2 O8 P c1cc(c[n+]....
5 2QG6 - NMN C11 H16 N2 O8 P c1cc(c[n+]....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2QT0 - NNR C11 H15 N2 O5 c1cc(c[n+]....
2 2P0E - TIZ C9 H12 N2 O5 S c1c(nc(s1)....
3 2QSY - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 2QSZ - NMN C11 H16 N2 O8 P c1cc(c[n+]....
5 2QG6 - NMN C11 H16 N2 O8 P c1cc(c[n+]....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2QT0 - NNR C11 H15 N2 O5 c1cc(c[n+]....
2 2P0E - TIZ C9 H12 N2 O5 S c1c(nc(s1)....
3 2QSY - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 2QSZ - NMN C11 H16 N2 O8 P c1cc(c[n+]....
5 2QG6 - NMN C11 H16 N2 O8 P c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NMN; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 NMN 1 1
2 NNR 0.693548 0.818182
3 NCN 0.647887 0.892308
4 8ID 0.524752 0.807692
5 NGD 0.514563 0.831169
6 NHD 0.509434 0.875
7 NAD 0.509434 0.875
8 NAJ 0.504762 0.875
9 NDO 0.491071 0.888889
10 NAP 0.486726 0.888889
11 NFD 0.486239 0.828947
12 NBP 0.465517 0.831169
13 DND 0.461538 0.851351
14 NXX 0.461538 0.851351
15 A3D 0.421053 0.863014
16 N01 0.417391 0.849315
17 AMP NAD 0.415929 0.849315
18 CH 0.407407 0.849315
19 NA0 0.404959 0.876712
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QG6; Ligand: NMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2qg6.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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