Receptor
PDB id Resolution Class Description Source Keywords
5EDL 1.95 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF AN S-COMPONENT OF ECF TRANSPORTER BACILLUS SUBTILIS MEMBRANE TRANSPORT PROTEIN TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURE OF A GROUP I ENERGY COUPLING FACT VITAMIN TRANSPORTER S COMPONENT IN COMPLEX WITH ITS SUBSTRATE. CELL CHEM BIOL V. 23 827 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MPG A:203;
A:202;
Invalid;
Invalid;
none;
none;
submit data
356.54 C21 H40 O4 CCCCC...
VIB A:201;
Valid;
none;
Kd = 4.5 nM
265.355 C12 H17 N4 O S Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EDL 1.95 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF AN S-COMPONENT OF ECF TRANSPORTER BACILLUS SUBTILIS MEMBRANE TRANSPORT PROTEIN TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURE OF A GROUP I ENERGY COUPLING FACT VITAMIN TRANSPORTER S COMPONENT IN COMPLEX WITH ITS SUBSTRATE. CELL CHEM BIOL V. 23 827 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5EDL Kd = 4.5 nM VIB C12 H17 N4 O S Cc1c(sc[n+....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 5EDL Kd = 4.5 nM VIB C12 H17 N4 O S Cc1c(sc[n+....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5EDL Kd = 4.5 nM VIB C12 H17 N4 O S Cc1c(sc[n+....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: VIB; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 VIB 1 1
2 TPS 0.686567 0.782609
3 TPP 0.621622 0.75
4 VNP 0.621622 0.72
5 TDP 0.605263 0.760563
6 TMV 0.605263 0.739726
7 V4E 0.589744 0.75
8 FTP 0.469136 0.73913
9 2TP 0.435294 0.697368
10 HMH 0.421053 0.603448
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EDL; Ligand: VIB; Similar sites found: 5
This union binding pocket(no: 1) in the query (biounit: 5edl.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4E1O PLP PVH 0.01902 0.40334 2.53807
2 4B7P 9UN 0.03502 0.41285 3.04569
3 5BO9 CSF 0.01591 0.40872 5.07614
4 5BO9 SIA GAL NGS 0.02659 0.4067 5.07614
5 4BPZ GLC BGC BGC 0.007051 0.4025 14.7208
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