Receptor
PDB id Resolution Class Description Source Keywords
3MYU 1.95 Å NON-ENZYME: TRANSPORT MYCOPLASMA GENITALIUM MG289 MYCOPLASMA GENITALIUM MYCOPLASMA MYCOPLASMA GENITALIUM MG289 P37 G37 CYPL EXTRACYTOPLASMIC THIAMINE BINDING PROTEIN LIPOPROTEIN ATCASSETTE TRANSPORTER BINDING PROTEIN VIB BINDING PROTEIN
Ref.: INSIGHTS INTO MYCOPLASMA GENITALIUM METABOLISM REVE THE STRUCTURE OF MG289, AN EXTRACYTOPLASMIC THIAMIN LIPOPROTEIN. PROTEINS V. 79 528 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1;
A:2;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
VIB A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
265.355 C12 H17 N4 O S Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MYU 1.95 Å NON-ENZYME: TRANSPORT MYCOPLASMA GENITALIUM MG289 MYCOPLASMA GENITALIUM MYCOPLASMA MYCOPLASMA GENITALIUM MG289 P37 G37 CYPL EXTRACYTOPLASMIC THIAMINE BINDING PROTEIN LIPOPROTEIN ATCASSETTE TRANSPORTER BINDING PROTEIN VIB BINDING PROTEIN
Ref.: INSIGHTS INTO MYCOPLASMA GENITALIUM METABOLISM REVE THE STRUCTURE OF MG289, AN EXTRACYTOPLASMIC THIAMIN LIPOPROTEIN. PROTEINS V. 79 528 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3MYU - 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 175 families.
1 3MYU - 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 149 families.
1 3MYU - 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 : 3MYU; Ligand: VIB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3myu.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3MYU; Ligand: VIB; 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: 3myu.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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