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Receptor
PDB id Resolution Class Description Source Keywords
1SJW 1.35 Å EC: 4.-.-.- STRUCTURE OF POLYKETIDE CYCLASE SNOAL STREPTOMYCES NOGALATER ANTHRACYCLINES NOGALAMYCIN SNOAL ALDOL CONDENSATION LYASSTRUCTURAL GENOMICS STRUCTURAL PROTEOMICS IN EUROPE SPINE
Ref.: STRUCTURE OF THE POLYKETIDE CYCLASE SNOAL REVEALS A MECHANISM FOR ENZYMATIC ALDOL CONDENSATION. EMBO J. V. 23 1911 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NGV A:333;
Valid;
none;
submit data
378.332 C21 H14 O7 CC1=C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SJW 1.35 Å EC: 4.-.-.- STRUCTURE OF POLYKETIDE CYCLASE SNOAL STREPTOMYCES NOGALATER ANTHRACYCLINES NOGALAMYCIN SNOAL ALDOL CONDENSATION LYASSTRUCTURAL GENOMICS STRUCTURAL PROTEOMICS IN EUROPE SPINE
Ref.: STRUCTURE OF THE POLYKETIDE CYCLASE SNOAL REVEALS A MECHANISM FOR ENZYMATIC ALDOL CONDENSATION. EMBO J. V. 23 1911 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 46 families.
1 1SJW - NGV C21 H14 O7 CC1=C(c2cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 1SJW - NGV C21 H14 O7 CC1=C(c2cc....
2 2F99 - AKV C22 H22 O8 CCC(C[C@H]....
3 2F98 - NGV C21 H14 O7 CC1=C(c2cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 1SJW - NGV C21 H14 O7 CC1=C(c2cc....
2 2F99 - AKV C22 H22 O8 CCC(C[C@H]....
3 2F98 - NGV C21 H14 O7 CC1=C(c2cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NGV; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 NGV 1 1
2 AKV 0.40625 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SJW; Ligand: NGV; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1sjw.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5EQU 5R6 4.16667
2 6H8S FSZ 6.25
Pocket No.: 2; Query (leader) PDB : 1SJW; Ligand: NGV; 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: 1sjw.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1SJW; Ligand: NGV; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 1sjw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5LN8 GAL 5.34351
Pocket No.: 4; Query (leader) PDB : 1SJW; Ligand: NGV; 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: 1sjw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1SJW; Ligand: NGV; 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: 1sjw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1SJW; Ligand: NGV; 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: 1sjw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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