Receptor
PDB id Resolution Class Description Source Keywords
4IIL 1.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RFUA (TP0298) OF T. PALLIDUM BOUND TO R TREPONEMA PALLIDUM SUBSP. PALLIDUM PERIPLASMIC-BINDING PROTEIN RIBOFLAVIN TRANSPORT MEMBRANE
Ref.: EVIDENCE FOR AN ABC-TYPE RIBOFLAVIN TRANSPORTER SYS PATHOGENIC SPIROCHETES. MBIO V. 4 00615 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:406;
A:405;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NA A:402;
A:403;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
K A:404;
Part of Protein;
none;
submit data
39.098 K [K+]
RBF A:401;
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
4IIL 1.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RFUA (TP0298) OF T. PALLIDUM BOUND TO R TREPONEMA PALLIDUM SUBSP. PALLIDUM PERIPLASMIC-BINDING PROTEIN RIBOFLAVIN TRANSPORT MEMBRANE
Ref.: EVIDENCE FOR AN ABC-TYPE RIBOFLAVIN TRANSPORTER SYS PATHOGENIC SPIROCHETES. MBIO V. 4 00615 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4IIL - RBF C17 H20 N4 O6 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4IIL - RBF C17 H20 N4 O6 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4IIL - RBF C17 H20 N4 O6 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 DAL FAD PER 0.42446 0.771084
14 FO1 0.423913 0.871429
15 HDF 0.423913 0.871429
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IIL; Ligand: RBF; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 4iil.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4D4U FUC GAL 0.01134 0.42903 1.90476
2 3W6G FLC 0.01514 0.4117 2.31481
3 5KOD IAC 0.0321 0.40372 3.17919
4 2VMG MBG 0.02549 0.40264 3.82166
5 2V2G BEZ 0.01424 0.41751 3.86266
6 1M2Z BOG 0.00701 0.43279 3.89105
7 1YRO UDP 0.02848 0.40177 6.50407
8 2FN8 RIP 0.00628 0.43325 9.24092
9 5E5U MLI 0.01038 0.42287 10.0503
10 2HK9 SKM 0.01813 0.41095 18.9091
Feedback