Receptor
PDB id Resolution Class Description Source Keywords
6M8Q 2.49 Å EC: 3.1.27.- CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR SUBUNIT 3 (C COMPLEX WITH NVP-LTM531 HOMO SAPIENS POLYADENYLATION METALLO-B-LACTAMASE PRE-MRNA PROCESSING AV(D)J RECOMBINATION DOUBLE-STRAND BREAK REPAIR HYDROLASEBINDING PROTEIN HYDROXYLASE
Ref.: CPSF3-DEPENDENT PRE-MRNA PROCESSING AS A DRUGGABLE AML AND EWING'S SARCOMA. NAT.CHEM.BIOL. V. 16 50 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:501;
B:502;
A:502;
A:501;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
PO4 A:505;
A:504;
B:504;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
94.971 O4 P [O-]P...
JBG A:503;
B:503;
 Valid;
Valid;
 none;
none;
 submit data
496.384 C23 H27 Cl2 N3 O5 CN1CC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6M8Q 2.49 Å EC: 3.1.27.- CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR SUBUNIT 3 (C COMPLEX WITH NVP-LTM531 HOMO SAPIENS POLYADENYLATION METALLO-B-LACTAMASE PRE-MRNA PROCESSING AV(D)J RECOMBINATION DOUBLE-STRAND BREAK REPAIR HYDROLASEBINDING PROTEIN HYDROXYLASE
Ref.: CPSF3-DEPENDENT PRE-MRNA PROCESSING AS A DRUGGABLE AML AND EWING'S SARCOMA. NAT.CHEM.BIOL. V. 16 50 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 6M8Q - JBG C23 H27 Cl2 N3 O5 CN1CCN(CC1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6M8Q - JBG C23 H27 Cl2 N3 O5 CN1CCN(CC1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6Q55 - HJB C10 H12 B O5 [B-]1(c2c(....
2 6M8Q - JBG C23 H27 Cl2 N3 O5 CN1CCN(CC1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: JBG; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 JBG 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: JBG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6M8Q; Ligand: JBG; 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: 6m8q.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6M8Q; Ligand: JBG; 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: 6m8q.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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