Receptor
PDB id Resolution Class Description Source Keywords
3D7W 2.49 Å EC: 3.2.2.22 MISTLETOE LECTIN I IN COMPLEX WITH ZEATIN VISCUM ALBUM MISTLETOE LECTIN I CYTOKININ ZEATIN PLANT HORMONES MICROGLYCOPROTEIN HYDROLASE LECTIN PLANT DEFENSE PROTEIN SYNINHIBITOR TOXIN
Ref.: STRUCTURE OF MISTLETOE LECTIN I FROM VISCUM ALBUM I WITH THE PHYTOHORMONE ZEATIN BIOCHIM.BIOPHYS.ACTA V.1784 1590 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:648;
A:652;
B:650;
B:651;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG A:500;
B:600;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG B:602;
B:603;
Invalid;
Invalid;
none;
none;
submit data
408.404 n/a O=C(N...
SO4 A:660;
A:661;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
ZEA B:701;
Valid;
none;
submit data
219.243 C10 H13 N5 O C/C(=...
ZEZ B:702;
Valid;
none;
submit data
219.243 C10 H13 N5 O C/C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M2T 1.89 Å EC: 3.2.2.22 MISTLETOE LECTIN I FROM VISCUM ALBUM IN COMPLEX WITH ADENINE MONOPHOSPHATE. CRYSTAL STRUCTURE AT 1.9 A RESOLUTION VISCUM ALBUM RIBOSOME INACTIVATION RIBOSOME INHIBITOR HYDROLASE
Ref.: CRYSTALLISATION UNDER MICROGRAVITY OF MISTLETOE LEC FROM VISCUM ALBUM WITH ADENINE MONOPHOSPHATE AND TH STRUCTURE AT 1.9 A RESOLUTION. ACTA CRYSTALLOGR.,SECT.D V. 58 1704 2002
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3D7W - ZEA C10 H13 N5 O C/C(=CCNc1....
2 1SZ6 - NAG C8 H15 N O6 CC(=O)N[C@....
3 1PUU - LAT C12 H22 O11 C([C@@H]1[....
4 1PUM - GAL C6 H12 O6 C([C@@H]1[....
5 1M2T - ADE C5 H5 N5 c1[nH]c2c(....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3D7W - ZEA C10 H13 N5 O C/C(=CCNc1....
2 1SZ6 - NAG C8 H15 N O6 CC(=O)N[C@....
3 1PUU - LAT C12 H22 O11 C([C@@H]1[....
4 1PUM - GAL C6 H12 O6 C([C@@H]1[....
5 1M2T - ADE C5 H5 N5 c1[nH]c2c(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3D7W - ZEA C10 H13 N5 O C/C(=CCNc1....
2 1SZ6 - NAG C8 H15 N O6 CC(=O)N[C@....
3 1PUU - LAT C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ZEA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ZEA 1 1
2 ZEZ 1 1
3 ZIP 0.745455 0.808511
4 2KU 0.5 0.696429
5 EMU 0.462687 0.717391
Ligand no: 2; Ligand: ZEZ; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ZEA 1 1
2 ZEZ 1 1
3 ZIP 0.745455 0.808511
4 2KU 0.5 0.696429
5 EMU 0.462687 0.717391
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M2T; Ligand: ADE; Similar sites found: 8
This union binding pocket(no: 1) in the query (biounit: 1m2t.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MRP GSH 0.02277 0.41388 3.14961
2 2BP1 FLC 0.004545 0.44072 3.54331
3 4GK9 MAN BMA MAN MAN MAN 0.02508 0.40309 3.80228
4 1Q8A HCS 0.01549 0.40384 4.18251
5 4RW3 PLM 0.01179 0.44129 4.33071
6 5OCA 9QZ 0.02698 0.41128 7.93651
7 2QX0 APC 0.004861 0.41835 8.1761
8 2UYP PPI 0.004606 0.41448 8.52713
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