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Receptor
PDB id Resolution Class Description Source Keywords
1UMP 2.13 Å EC: 5.4.99.17 GEOMETRY OF TRITERPENE CONVERSION TO PENTACARBOCYCLIC HOPENE ALICYCLOBACILLUS ACIDOCALDARIUS ISOMERASE TRITERPENE CYCLASE CHOLESTEROL BIOSYNTHESIS OXIDOSQUALENE CYCLASE MONOTOPIC MEMBRANE PROTEIN
Ref.: CONVERSION OF SQUALENE TO THE PENTACARBOCYCLIC HOPENE CHEM.BIOL. V. 11 121 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C8E A:1629;
B:1629;
B:1630;
C:1629;
C:1630;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
306.438 C16 H34 O5 CCCCC...
SQA A:1630;
B:1631;
C:1631;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
413.722 C29 H51 N CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UMP 2.13 Å EC: 5.4.99.17 GEOMETRY OF TRITERPENE CONVERSION TO PENTACARBOCYCLIC HOPENE ALICYCLOBACILLUS ACIDOCALDARIUS ISOMERASE TRITERPENE CYCLASE CHOLESTEROL BIOSYNTHESIS OXIDOSQUALENE CYCLASE MONOTOPIC MEMBRANE PROTEIN
Ref.: CONVERSION OF SQUALENE TO THE PENTACARBOCYCLIC HOPENE CHEM.BIOL. V. 11 121 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UMP - SQA C29 H51 N CC(=CCC/C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UMP - SQA C29 H51 N CC(=CCC/C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UMP - SQA C29 H51 N CC(=CCC/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SQA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 SQA 1 1
2 SQL 0.675676 0.607143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UMP; Ligand: SQA; Similar sites found with APoc: 13
This union binding pocket(no: 1) in the query (biounit: 1ump.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1NSA BEN 2.27848
2 4CNO 9PY 2.38095
3 1Z6K OAA 2.38908
4 5MDH MAK 2.4024
5 4NDN PPK 4.12044
6 5VGS 9A7 4.4586
7 1DE6 RNS 4.46009
8 2REG CHT 5.36913
9 1X0P FAD 5.59441
10 5HSS 64Z 7.27763
11 5HSS 650 7.27763
12 2C91 TLA 11.5385
13 1W6K LAN 43.8986
Pocket No.: 2; Query (leader) PDB : 1UMP; Ligand: SQA; Similar sites found with APoc: 6
This union binding pocket(no: 2) in the query (biounit: 1ump.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4IFP MAL 2.7897
2 3UDG TMP 2.99003
3 5VGS 9A4 4.4586
4 2YP9 SIA CMO 6.56064
5 4XR8 MAL 7.28477
6 4W6Z ETF 7.4928
Pocket No.: 3; Query (leader) PDB : 1UMP; Ligand: SQA; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 1ump.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3G6M CFF 2.95567
2 4D52 GIV 6.34921
Pocket No.: 4; Query (leader) PDB : 1UMP; Ligand: SQA; Similar sites found with APoc: 1
This union binding pocket(no: 4) in the query (biounit: 1ump.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1AF6 GLC FRU 2.3753
Pocket No.: 5; Query (leader) PDB : 1UMP; Ligand: SQA; Similar sites found with APoc: 4
This union binding pocket(no: 5) in the query (biounit: 1ump.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4L9Z OXL 1.76991
2 1B4N GUA 3.23102
3 5X5M 7YU 7.40741
4 5Z9S BGC 7.92393
Pocket No.: 6; Query (leader) PDB : 1UMP; Ligand: SQA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1ump.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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