Receptor
PDB id Resolution Class Description Source Keywords
3A35 1.42 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LUMP COMPLEXED WITH RIBOFLAVIN PHOTOBACTERIUM KISHITANII LUMINOUS BACTERIA LUMAZINE PROTEIN HOMOLOGUE OF RIBOFLAVINSYNTHASE LUMINESCENT PROTEIN
Ref.: CRYSTAL STRUCTURES OF THE LUMAZINE PROTEIN FROM PHOTOBACTERIUM KISHITANII IN COMPLEXES WITH THE AUT CHROMOPHORE, 6,7-DIMETHYL-8-(1'-D-RIBITYL) LUMAZINE ANALOGUES, RIBOFLAVIN AND FMN, AT HIGH RESOLUTION J.BACTERIOL. V. 192 127 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RBF A:191;
B:191;
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
3A3B 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LUMP COMPLEXED WITH FLAVIN MONONUCLEOTI PHOTOBACTERIUM KISHITANII LUMINOUS BACTERIA LUMAZINE PROTEIN FLAVIN MONONUCLEOTIDE LUMINESCENT PROTEIN
Ref.: CRYSTAL STRUCTURES OF THE LUMAZINE PROTEIN FROM PHOTOBACTERIUM KISHITANII IN COMPLEXES WITH THE AUT CHROMOPHORE, 6,7-DIMETHYL-8-(1'-D-RIBITYL) LUMAZINE ANALOGUES, RIBOFLAVIN AND FMN, AT HIGH RESOLUTION J.BACTERIOL. V. 192 127 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3A3G - DLZ C13 H18 N4 O6 CC1=C(N(C2....
2 3A35 - RBF C17 H20 N4 O6 Cc1cc2c(cc....
3 3A3B - 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 1331 families.
1 3A3G - DLZ C13 H18 N4 O6 CC1=C(N(C2....
2 3A35 - RBF C17 H20 N4 O6 Cc1cc2c(cc....
3 3A3B - 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 1144 families.
1 3A3G - DLZ C13 H18 N4 O6 CC1=C(N(C2....
2 3A35 - RBF C17 H20 N4 O6 Cc1cc2c(cc....
3 3A3B - 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 : 3A3B; Ligand: RBF; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 3a3b.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1KZL CRM 48.9474
2 1KZL CRM 48.9474
3 4G6I RS3 49.4737
4 4G6I RS3 49.4737
5 4G6I RS3 49.4737
6 4G6I RS3 49.4737
Pocket No.: 2; Query (leader) PDB : 3A3B; Ligand: FMN; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 3a3b.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1KZL CRM 48.9474
2 4G6I RS3 49.4737
3 4G6I RS3 49.4737
4 4G6I RS3 49.4737
5 4G6I RS3 49.4737
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