Receptor
PDB id Resolution Class Description Source Keywords
1W31 1.9 Å EC: 4.2.1.24 YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE 5-HYDROXYLAEVULINIC COMPLEX SACCHAROMYCES CEREVISIAE DEHYDRATASE ALDOLASE TIM BARREL TETRAPYRROLE SYNTHESIS HBIOSYNTHESIS LYASE ZINC
Ref.: STRUCTURE OF YEAST 5-AMINOLAEVULINIC ACID DEHYDRATA COMPLEXED WITH THE INHIBITOR 5-HYDROXYLAEVULINIC AC ACTA CRYSTALLOGR.,SECT.D V. 61 1222 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SHO A:363;
Valid;
none;
Ki = 0.25 mM
118.131 C5 H10 O3 C(CCO...
ZN A:400;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W31 1.9 Å EC: 4.2.1.24 YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE 5-HYDROXYLAEVULINIC COMPLEX SACCHAROMYCES CEREVISIAE DEHYDRATASE ALDOLASE TIM BARREL TETRAPYRROLE SYNTHESIS HBIOSYNTHESIS LYASE ZINC
Ref.: STRUCTURE OF YEAST 5-AMINOLAEVULINIC ACID DEHYDRATA COMPLEXED WITH THE INHIBITOR 5-HYDROXYLAEVULINIC AC ACTA CRYSTALLOGR.,SECT.D V. 61 1222 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1W31 Ki = 0.25 mM SHO C5 H10 O3 C(CCO)CC(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1W31 Ki = 0.25 mM SHO C5 H10 O3 C(CCO)CC(=....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1W31 Ki = 0.25 mM SHO C5 H10 O3 C(CCO)CC(=....
2 5MHB - PBG C10 H14 N2 O4 c1c(c(c([n....
3 3OBK - PBG C10 H14 N2 O4 c1c(c(c([n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SHO; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 SHO 1 1
2 12H 0.68 0.904762
3 0L1 0.65 0.761905
4 PML 0.590909 0.727273
5 AZ1 0.565217 0.695652
6 3OH 0.52381 0.761905
7 ACA 0.518519 0.653846
8 011 0.5 0.62963
9 DAV 0.5 0.653846
10 GUA 0.5 0.714286
11 8AC 0.482759 0.62963
12 ABU 0.44 0.64
13 BRC 0.433333 0.652174
14 SIN 0.428571 0.619048
15 9J6 0.40625 0.653846
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W31; Ligand: SHO; 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: 1w31.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1W31; Ligand: SHO; 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: 1w31.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1W31; Ligand: SHO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1w31.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1W31; Ligand: SHO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1w31.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1W31; Ligand: SHO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1w31.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1W31; Ligand: SHO; 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: 1w31.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1W31; Ligand: SHO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1w31.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1W31; Ligand: SHO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1w31.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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