Receptor
PDB id Resolution Class Description Source Keywords
1N5Q 1.74 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A MONOOXYGENASE FROM THE GENE ACTVA-ORF STREPTOMYCES COELICOLOR IN COMPLEX WITH DEHYDRATED SANCYCLI STREPTOMYCES COELICOLOR MONOOXYGENASE AROMATIC POLYKETIDES ACTINORHODIN DIHYDROKASANCYCLINE STREPTOMYCES COELICOLOR OXIDOREDUCTASE
Ref.: THE STRUCTURE OF ACTVA-ORF6, A NOVEL TYPE OF MONOOX INVOLVED IN ACTINORHODIN BIOSYNTHESIS EMBO J. V. 22 205 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
P6G A:2001;
 Invalid;
 none;
 submit data
282.331 C12 H26 O7 C(COC...
TNC B:1001;
 Valid;
 none;
 submit data
396.393 C21 H20 N2 O6 CN(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1N5S 1.7 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A MONOOXYGENASE FROM THE GENE ACTVA-ORF STREPTOMYCES COELICOLOR IN COMPLEX WITH THE LIGAND ACETYL D STREPTOMYCES COELICOLOR MONOOXYGENASE AROMATIC POLYKETIDES ACTINORHODIN DIHYDROKAACETYL DITHRANOL STREPTOMYCES COELICOLOR OXIDOREDUCTASE
Ref.: THE STRUCTURE OF ACTVA-ORF6, A NOVEL TYPE OF MONOOX INVOLVED IN ACTINORHODIN BIOSYNTHESIS EMBO J. V. 22 205 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 1N5S - ADL C16 H12 O5 c1cc2c(c(c....
2 1N5T - OAL C16 H10 O6 c1cc2c(c(c....
3 1N5Q - TNC C21 H20 N2 O6 CN(C)[C@H]....
4 1N5V - NOM C16 H12 O6 C[C@H]1C2=....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 1N5S - ADL C16 H12 O5 c1cc2c(c(c....
2 1N5T - OAL C16 H10 O6 c1cc2c(c(c....
3 1N5Q - TNC C21 H20 N2 O6 CN(C)[C@H]....
4 1N5V - NOM C16 H12 O6 C[C@H]1C2=....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1N5S - ADL C16 H12 O5 c1cc2c(c(c....
2 1N5T - OAL C16 H10 O6 c1cc2c(c(c....
3 1N5Q - TNC C21 H20 N2 O6 CN(C)[C@H]....
4 1N5V - NOM C16 H12 O6 C[C@H]1C2=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TNC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TNC 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TNC; Similar ligands found: 15
No: Ligand Similarity coefficient
1 NGV 0.8988
2 609 0.8909
3 8E3 0.8906
4 SAU 0.8824
5 8EC 0.8788
6 8E6 0.8760
7 BER 0.8757
8 CTI 0.8734
9 1FJ 0.8718
10 79X 0.8702
11 QUE 0.8679
12 MYC 0.8660
13 NKH 0.8624
14 338 0.8584
15 BGC BGC 0.8552
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1N5S; Ligand: ADL; 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: 1n5s.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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