Receptor
PDB id Resolution Class Description Source Keywords
1T6Z 2.4 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF RIBOFLAVIN BOUND TM379 THERMOTOGA MARITIMA CRYSTAL; FAD SYNTHETASE; RIBOFLAVIN; X-RAY CRYSTALLOGRAPHY; STRUCTURAL GENOMICS BSGC STRUCTURE FUNDED BY NIH PROTEIN INITIATIVE PSI BERKELEY STRUCTURAL GENOMICS CENTER TRANS
Ref.: CRYSTAL STRUCTURE OF ADP BOUND FAD SYNTHETASE TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RBF A:296;
B:596;
 Valid;
Valid;
 none;
none;
 submit data
376.364 C17 H20 N4 O6 Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1S4M 2.1 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF FLAVIN BINDING TO FAD SYNTHETASE FROM T MARITINA THERMOTOGA MARITIMA FAD FLAVIN RIBOFLAVIN KINASE STRUCTURAL GENOMICS BSGC STFUNDED BY NIH PROTEIN STRUCTURE INITIATIVE PSI BERKELEY STRUCTURAL GENOMICS CENTER TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF FLAVIN BINDING TO FAD SYNTHETA THERMOTOGA MARITIMA PROTEINS V. 58 246 2005
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 1S4M - LUM C12 H10 N4 O2 Cc1cc2c(cc....
2 1T6X - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1T6Z - RBF C17 H20 N4 O6 Cc1cc2c(cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 1S4M - LUM C12 H10 N4 O2 Cc1cc2c(cc....
2 1T6X - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1T6Z - RBF C17 H20 N4 O6 Cc1cc2c(cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 1S4M - LUM C12 H10 N4 O2 Cc1cc2c(cc....
2 1T6X - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1T6Z - RBF C17 H20 N4 O6 Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RBF; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 RBF 1 1
2 FMN 0.75641 0.876712
3 RS3 0.74026 0.942029
4 DLZ 0.546667 0.885714
5 1VY 0.525641 0.871429
6 C3F 0.523256 0.816901
7 LFN 0.513889 0.712121
8 CF4 0.511364 0.805556
9 FAS 0.460938 0.790123
10 FAD 0.460938 0.790123
11 FAE 0.457364 0.780488
12 UBG 0.443609 0.780488
13 RLP 0.438202 0.833333
14 HDF 0.423913 0.871429
15 FO1 0.423913 0.871429
16 9O9 0.40404 0.818182
Similar Ligands (3D)
Ligand no: 1; Ligand: RBF; Similar ligands found: 36
No: Ligand Similarity coefficient
1 FNR 0.9203
2 E2X 0.9078
3 5UU 0.9037
4 E2L 0.9035
5 E2F 0.9010
6 5DD 0.8959
7 5UV 0.8939
8 RDL 0.8932
9 GDW 0.8928
10 5UX 0.8928
11 1WK 0.8924
12 NE8 0.8911
13 C1L 0.8901
14 E2R 0.8854
15 9HJ 0.8814
16 AFQ 0.8785
17 2Q8 0.8780
18 3NG 0.8743
19 CQO 0.8734
20 NEZ 0.8714
21 FEF 0.8713
22 6FV 0.8707
23 O74 0.8690
24 7L6 0.8676
25 AEK 0.8642
26 74U 0.8634
27 FQW 0.8628
28 CRM 0.8617
29 AAQ 0.8607
30 8OW 0.8606
31 7AA 0.8603
32 Z80 0.8598
33 6FQ 0.8585
34 4X4 0.8569
35 7CK 0.8560
36 CRZ 0.8544
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1S4M; Ligand: LUM; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1s4m.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 5A89 FMN 48.7179
2 5A89 ADP 48.7179
Pocket No.: 2; Query (leader) PDB : 1S4M; Ligand: LUM; 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: 1s4m.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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