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Receptor
PDB id Resolution Class Description Source Keywords
1NQU 1.75 Å EC: 2.5.1.9 CRYSTAL STRUCTURE OF LUMAZINE SYNTHASE FROM AQUIFEX AEOLICUS COMPLEX WITH INHIBITOR: 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE AQUIFEX AEOLICUS LUMAZINE SYNTHASE AQUIFEX AEOLICUS INHIBITOR COMPLEX VITABIOSYNTHESIS CATALYTIC MECHANISM TRANSFERASE
Ref.: A STRUCTURE-BASED MODEL OF THE REACTION CATALYZED B LUMAZINE SYNTHASE FROM AQUIFEX AEOLICUS. J.MOL.BIOL. V. 328 167 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:1251;
B:2251;
C:3251;
D:4251;
E:5251;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
RDL A:1201;
B:2201;
C:3201;
D:4201;
E:5201;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
330.251 C11 H14 N4 O8 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NQU 1.75 Å EC: 2.5.1.9 CRYSTAL STRUCTURE OF LUMAZINE SYNTHASE FROM AQUIFEX AEOLICUS COMPLEX WITH INHIBITOR: 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE AQUIFEX AEOLICUS LUMAZINE SYNTHASE AQUIFEX AEOLICUS INHIBITOR COMPLEX VITABIOSYNTHESIS CATALYTIC MECHANISM TRANSFERASE
Ref.: A STRUCTURE-BASED MODEL OF THE REACTION CATALYZED B LUMAZINE SYNTHASE FROM AQUIFEX AEOLICUS. J.MOL.BIOL. V. 328 167 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1NQX - RLP C14 H18 N4 O9 C(CC(=O)O)....
2 1NQU - RDL C11 H14 N4 O8 C([C@@H]([....
3 1NQW - 5YL C14 H26 N3 O9 P C(CCC1=C(N....
4 1NQV - LMZ C9 H14 N4 O7 C([C@@H]([....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1NQX - RLP C14 H18 N4 O9 C(CC(=O)O)....
2 1NQU - RDL C11 H14 N4 O8 C([C@@H]([....
3 1NQW - 5YL C14 H26 N3 O9 P C(CCC1=C(N....
4 1NQV - LMZ C9 H14 N4 O7 C([C@@H]([....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4KQ6 - DLZ C13 H18 N4 O6 CC1=C(N(C2....
2 2C97 Ka = 1380000 M^-1 JCL C8 H12 Cl N2 O6 P C(CCOP(=O)....
3 2C94 Ka = 6540000 M^-1 TSF C15 H23 F2 N4 O10 P C(CCN1C2=C....
4 1W19 - T1P C13 H21 N4 O11 P C(CN1C2=C(....
5 2C92 Ka = 4500 M^-1 TP6 C15 H25 N4 O11 P C(CCN1C2=C....
6 2VI5 Ki = 110 uM Y19 C12 H20 N4 O7 CCC(=O)N[C....
7 1W29 - TS0 C14 H23 N4 O11 P C(CCOP(=O)....
8 1NQX - RLP C14 H18 N4 O9 C(CC(=O)O)....
9 1NQU - RDL C11 H14 N4 O8 C([C@@H]([....
10 1NQW - 5YL C14 H26 N3 O9 P C(CCC1=C(N....
11 1NQV - LMZ C9 H14 N4 O7 C([C@@H]([....
12 1RVV - INI C9 H14 N4 O8 C([C@@H]([....
13 1KYV Kd = 1.2 uM RBF C17 H20 N4 O6 Cc1cc2c(cc....
14 1KYY - INI C9 H14 N4 O8 C([C@@H]([....
15 1EJB - INJ C14 H26 N3 O9 P C(CCc1c(nc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RDL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 RDL 1 1
2 CRM 0.453333 0.927536
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NQU; Ligand: RDL; 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: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1NQU; Ligand: RDL; 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: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1NQU; Ligand: RDL; 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: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1NQU; Ligand: RDL; 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: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1NQU; Ligand: RDL; 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: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1NQU; Ligand: RDL; 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: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1NQU; Ligand: RDL; 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: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1NQU; Ligand: RDL; 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: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 25; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 25) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 26; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 26) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 27; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 27) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 28; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 28) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 29; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 29) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 30; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 30) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 31; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 31) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 32; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 32) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 33; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 33) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 34; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 34) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 35; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 35) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 36; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 36) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 37; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 37) in the query (biounit: 1nqu.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 38; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 38) in the query (biounit: 1nqu.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 39; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 39) in the query (biounit: 1nqu.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 40; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 40) in the query (biounit: 1nqu.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 41; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 41) in the query (biounit: 1nqu.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 42; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 42) in the query (biounit: 1nqu.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 43; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 43) in the query (biounit: 1nqu.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 44; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 44) in the query (biounit: 1nqu.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 45; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 45) in the query (biounit: 1nqu.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 46; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 46) in the query (biounit: 1nqu.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 47; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 47) in the query (biounit: 1nqu.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 48; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 48) in the query (biounit: 1nqu.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 49; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 49) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 50; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 50) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 51; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 51) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 52; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 52) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 53; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 53) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 54; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 54) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 55; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 55) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 56; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 56) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 57; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 57) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 58; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 58) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 59; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 59) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 60; Query (leader) PDB : 1NQU; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 60) in the query (biounit: 1nqu.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
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