Receptor
PDB id Resolution Class Description Source Keywords
2B99 2.22 Å EC: 2.5.1.9 CRYSTAL STRUCTURE OF AN ARCHAEAL PENTAMERIC RIBOFLAVIN SYNTHASE COMPLEX WITH A SUBSTRATE ANALOG INHIBITOR METHANOCALDOCOCCUS JANNASCHII LUMAZINE RIBOFLAVIN TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF AN ARCHAEAL PENTAMERIC RIBOFLAVIN SYNTHASE IN COMPLEX WITH A SUBSTRATE ANALOG INHIBITOR: STEREOCHEMICAL IMPLICATIONS J.BIOL.CHEM. V. 281 1224 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RDL A:1205;
A:1208;
B:1206;
B:1209;
B:1210;
C:1201;
C:1204;
D:1203;
E:1202;
E:1207;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
330.251 C11 H14 N4 O8 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2B99 2.22 Å EC: 2.5.1.9 CRYSTAL STRUCTURE OF AN ARCHAEAL PENTAMERIC RIBOFLAVIN SYNTHASE COMPLEX WITH A SUBSTRATE ANALOG INHIBITOR METHANOCALDOCOCCUS JANNASCHII LUMAZINE RIBOFLAVIN TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF AN ARCHAEAL PENTAMERIC RIBOFLAVIN SYNTHASE IN COMPLEX WITH A SUBSTRATE ANALOG INHIBITOR: STEREOCHEMICAL IMPLICATIONS J.BIOL.CHEM. V. 281 1224 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2B99 - RDL C11 H14 N4 O8 C([C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2B99 - RDL C11 H14 N4 O8 C([C@@H]([....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2B99 - RDL C11 H14 N4 O8 C([C@@H]([....
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 : 2B99; Ligand: RDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2b99.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2b99.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2b99.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2b99.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2b99.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2b99.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2b99.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2b99.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found: 22
This union binding pocket(no: 9) in the query (biounit: 2b99.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XBL M7P 0.006164 0.41364 1.92308
2 3GGO ENO 0.04486 0.40131 1.92308
3 3GGO NAI 0.04486 0.40131 1.92308
4 3FV1 DYH 0.01628 0.4073 2.5641
5 3FC4 EDO 0.04794 0.408 3.84615
6 3FMI KAP 0.01483 0.40316 3.84615
7 5U3F 7TS 0.008278 0.41525 4.48718
8 1TAD GDP 0.01639 0.40987 5.12821
9 1TAD ALF 0.01639 0.40987 5.12821
10 1SVK ALF GDP 0.01974 0.40716 5.12821
11 3GRU AMP 0.008865 0.41713 6.41026
12 2BLE 5GP 0.01034 0.41971 7.05128
13 2O07 SPD 0.02863 0.40034 7.05128
14 2VOH CIT 0.009176 0.43081 7.69231
15 3WGT FAD 0.04494 0.406 8.33333
16 3WGT QSC 0.04638 0.406 8.33333
17 4ZKD GDP 0.003769 0.43822 10.2564
18 3AWJ COA 0.01271 0.40285 10.2564
19 3ZOK NAD 0.02866 0.40148 10.8974
20 1RVV INI 0.000001708 0.55138 19.4805
21 2HS3 FGR 0.01157 0.40478 22.4359
22 4KQ6 DLZ 0.00001056 0.53585 26.2821
Pocket No.: 10; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2b99.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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