Receptor
PDB id Resolution Class Description Source Keywords
1NUP 1.9 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC NMN/NAMN ADENYLYLTRANSF COMPLEX WITH NMN HOMO SAPIENS NAD BIOSYNTHESIS MITOCHONDRIA PYRIDINE ADENYLYLTRANSFERASECATALYSIS TRANSFERASE
Ref.: STRUCTURAL CHARACTERIZATION OF A HUMAN CYTOSOLIC NM ADENYLYLTRANSFERASE AND IMPLICATION IN HUMAN NAD BIOSYNTHESIS J.BIOL.CHEM. V. 278 13503 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NMN A:401;
B:402;
Valid;
Valid;
none;
none;
submit data
335.227 C11 H16 N2 O8 P c1cc(...
SO4 A:301;
A:302;
B:303;
B:304;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NUS 2.2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC NMN/NAMN ADENYLYLTRANSF COMPLEXED WITH ATP ANALOG AND NMN HOMO SAPIENS NAD BIOSYNTHESIS MITOCHONDRIA PYRIDINE ADENYLYLTRANSFERASECATALYSIS TRANSFERASE
Ref.: STRUCTURAL CHARACTERIZATION OF A HUMAN CYTOSOLIC NM ADENYLYLTRANSFERASE AND IMPLICATION IN HUMAN NAD BIOSYNTHESIS J.BIOL.CHEM. V. 278 13503 2003
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 1NUS - NMN C11 H16 N2 O8 P c1cc(c[n+]....
2 1NUP - NMN C11 H16 N2 O8 P c1cc(c[n+]....
3 1NUT - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 1NUU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1NUQ - NXX C21 H27 N6 O15 P2 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 237 families.
1 1NUS - NMN C11 H16 N2 O8 P c1cc(c[n+]....
2 1NUP - NMN C11 H16 N2 O8 P c1cc(c[n+]....
3 1NUT - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 1NUU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1NUQ - NXX C21 H27 N6 O15 P2 c1cc(c[n+]....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 1NUS - NMN C11 H16 N2 O8 P c1cc(c[n+]....
2 1NUP - NMN C11 H16 N2 O8 P c1cc(c[n+]....
3 1NUT - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 1NUU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1NUQ - NXX C21 H27 N6 O15 P2 c1cc(c[n+]....
6 1KR2 - TAD C20 H27 N7 O13 P2 S c1c(nc(s1)....
7 1KQO - DND C21 H27 N6 O15 P2 c1cc(c[n+]....
8 1KQN - NAD C21 H27 N7 O14 P2 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 : 1NUS; 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: 1nus.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1NUS; 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: 2) in the query (biounit: 1nus.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1NUS; Ligand: APC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1nus.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1NUS; Ligand: APC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1nus.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1NUS; 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: 5) in the query (biounit: 1nus.bio1) has 46 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1NUS; 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: 6) in the query (biounit: 1nus.bio1) has 46 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1NUS; Ligand: APC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1nus.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1NUS; Ligand: APC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1nus.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
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