Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN B:191;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
RBF A:191;
Valid;
none;
submit data
376.364 C17 H20 N4 O6 Cc1cc...
View in 3D viewer
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 1579 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 1312 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 1130 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
Ligand no: 1; Ligand: FMN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 9O9 0.574468 0.934211
4 RS3 0.571429 0.831169
5 FAD 0.543307 0.876543
6 FAS 0.543307 0.876543
7 FAE 0.539062 0.865854
8 5DD 0.475248 0.972603
9 LFN 0.475 0.643836
10 C3F 0.473684 0.74359
11 CF4 0.463918 0.734177
12 FAY 0.446043 0.864198
13 FNR 0.444444 0.909091
14 RFL 0.442857 0.845238
15 4LS 0.411215 0.875
16 1VY 0.406593 0.769231
17 DLZ 0.404494 0.782051
Ligand no: 2; Ligand: RBF; Similar ligands found: 15
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 FAD 0.460938 0.790123
10 FAS 0.460938 0.790123
11 FAE 0.457364 0.780488
12 RLP 0.438202 0.833333
13 FO1 0.423913 0.871429
14 HDF 0.423913 0.871429
15 9O9 0.40404 0.818182
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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