Receptor
PDB id Resolution Class Description Source Keywords
3GPQ 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MACRO DOMAIN OF CHIKUNGUNYA VIRUS IN CO RNA CHIKUNGUNYA VIRUS MACRO DOMAIN X DOMAIN CHIKUNGUNYA ALPHAVIRUS VIRUS VIZIENZYMES INVOLVED IN REPLICATION RNA ATP-BINDING CELL MEMENDOSOME HELICASE HYDROLASE LIPOPROTEIN LYSOSOME MEMBRMETHYLTRANSFERASE MRNA CAPPING MRNA PROCESSING MULTIFUNCENZYME NUCLEOTIDE-BINDING NUCLEOTIDYLTRANSFERASE NUCLEUSPALMITATE PHOSPHOPROTEIN PROTEASE RNA REPLICATION RNA-BRNA-DIRECTED RNA POLYMERASE THIOL PROTEASE TRANSFERASE VPROTEIN/RNA VIRAL PROTEIN-RNA COMPLEX
Ref.: THE CRYSTAL STRUCTURES OF CHIKUNGUNYA AND VENEZUELA ENCEPHALITIS VIRUS NSP3 MACRO DOMAINS DEFINE A CONS ADENOSINE BINDING POCKET J.VIROL. V. 83 6534 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A A A E:1;
F:1;
Valid;
Valid;
none;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GPO 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MACRO DOMAIN OF CHIKUNGUNYA VIRUS IN CO ADP-RIBOSE CHIKUNGUNYA VIRUS MACRO DOMAIN X DOMAIN CHIKUNGUNYA ALPHAVIRUS VIRUS VIZIENZYMES INVOLVED IN REPLICATION ADP-RIBOSE ATP-BINDING CMEMBRANE ENDOSOME HELICASE HYDROLASE LIPOPROTEIN LYSOSMEMBRANE METHYLTRANSFERASE MRNA CAPPING MRNA PROCESSINGMULTIFUNCTIONAL ENZYME NUCLEOTIDE-BINDING NUCLEOTIDYLTRANNUCLEUS PALMITATE PHOSPHOPROTEIN PROTEASE RNA REPLICATIBINDING RNA-DIRECTED RNA POLYMERASE THIOL PROTEASE TRANSVIRAL PROTEIN
Ref.: THE CRYSTAL STRUCTURES OF CHIKUNGUNYA AND VENEZUELA ENCEPHALITIS VIRUS NSP3 MACRO DOMAINS DEFINE A CONS ADENOSINE BINDING POCKET J.VIROL. V. 83 6534 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3GPO Kd = 5 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 3GPQ - A A A n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6R0G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 6R0T - JNT C15 H25 N5 O14 P2 c1nc(c2c(n....
3 6R0P - JNT C15 H25 N5 O14 P2 c1nc(c2c(n....
4 6R0F - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
5 3GPO Kd = 5 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
6 3GPQ - A A A n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6R0G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 6R0T - JNT C15 H25 N5 O14 P2 c1nc(c2c(n....
3 6R0P - JNT C15 H25 N5 O14 P2 c1nc(c2c(n....
4 6R0F - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
5 3GPO Kd = 5 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
6 3GPQ - A A A n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A A A ; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: A A A ; Similar ligands found: 1
No: Ligand Similarity coefficient
1 A A A 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GPO; Ligand: APR; Similar sites found with APoc: 12
This union binding pocket(no: 1) in the query (biounit: 3gpo.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 3EWP APR 28.5714
2 3EWP APR 28.5714
3 3EWP APR 28.5714
4 5CB3 APR 33.3333
5 2FAV APR 36.9048
6 3EWR APR 36.9048
7 4IQY AR6 41.6667
8 4IQY AR6 41.6667
9 6WOJ APR 42.2619
10 6WOJ APR 42.2619
11 6WOJ APR 42.2619
12 6WOJ APR 42.2619
Pocket No.: 2; Query (leader) PDB : 3GPO; Ligand: APR; Similar sites found with APoc: 12
This union binding pocket(no: 2) in the query (biounit: 3gpo.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 3EWP APR 28.5714
2 3EWP APR 28.5714
3 3EWP APR 28.5714
4 5CB3 APR 33.3333
5 2FAV APR 36.9048
6 3EWR APR 36.9048
7 4IQY AR6 41.6667
8 4IQY AR6 41.6667
9 6WOJ APR 42.2619
10 6WOJ APR 42.2619
11 6WOJ APR 42.2619
12 6WOJ APR 42.2619
Pocket No.: 3; Query (leader) PDB : 3GPO; Ligand: APR; Similar sites found with APoc: 10
This union binding pocket(no: 3) in the query (biounit: 3gpo.bio4) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3EWP APR 28.5714
2 3EWP APR 28.5714
3 5CB3 APR 33.3333
4 2FAV APR 36.9048
5 3EWR APR 36.9048
6 4IQY AR6 41.6667
7 6WOJ APR 42.2619
8 6WOJ APR 42.2619
9 6WOJ APR 42.2619
10 6WOJ APR 42.2619
Pocket No.: 4; Query (leader) PDB : 3GPO; Ligand: APR; Similar sites found with APoc: 10
This union binding pocket(no: 4) in the query (biounit: 3gpo.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3EWP APR 28.5714
2 3EWP APR 28.5714
3 5CB3 APR 33.3333
4 2FAV APR 36.9048
5 3EWR APR 36.9048
6 4IQY AR6 41.6667
7 6WOJ APR 42.2619
8 6WOJ APR 42.2619
9 6WOJ APR 42.2619
10 6WOJ APR 42.2619
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