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 62 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 271 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 223 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 (2D)
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 Ligands (3D)
Ligand no: 1; Ligand: NGV; Similar ligands found: 30
No: Ligand Similarity coefficient
1 5VD 0.9000
2 FXE 0.8996
3 TNC 0.8988
4 MYC 0.8966
5 INR 0.8961
6 VAK 0.8926
7 QUE 0.8909
8 BRY 0.8809
9 609 0.8791
10 NKH 0.8763
11 AZN 0.8759
12 2WG 0.8730
13 BER 0.8707
14 MRI 0.8702
15 MKU 0.8692
16 FSE 0.8689
17 BGC BGC 0.8688
18 K2C 0.8667
19 8E9 0.8667
20 MYU 0.8650
21 CTI 0.8616
22 KMP 0.8608
23 FXB 0.8599
24 LU2 0.8599
25 NOM 0.8573
26 IXM 0.8561
27 1FJ 0.8542
28 9AZ 0.8532
29 5Z5 0.8530
30 EHF 0.8513
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1sjw.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1sjw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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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