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(...
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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 199 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 166 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 141 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: 12
This union binding pocket(no: 1) in the query (biounit: 3myu.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.00932 0.42856 None
2 4WCX ALA 0.007398 0.41211 2.90698
3 1NOW IFG 0.006584 0.41425 3.77907
4 1Q8P MAN MMA 0.006645 0.41529 4.65116
5 2PHR MAN MAN 0.005919 0.40806 4.65116
6 2GND MAN MMA 0.006749 0.40541 4.65116
7 2PHW MAN MAN 0.007638 0.403 4.65116
8 2PHF MAN MAN 0.008425 0.40105 4.65116
9 4AZC NGW 0.008387 0.40469 5.23256
10 5O4J 9KH 0.04663 0.4044 7.29927
11 5O4J SAH 0.04663 0.4044 7.29927
12 3ZVS MLI 0.01759 0.4053 9.375
Pocket No.: 2; Query (leader) PDB : 3MYU; Ligand: VIB; Similar sites found: 1
This union binding pocket(no: 2) in the query (biounit: 3myu.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1R6D DAU 0.0437 0.42017 6.23145
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