Receptor
PDB id Resolution Class Description Source Keywords
2VQZ 2.3 Å NON-ENZYME: BINDING STRUCTURE OF THE CAP-BINDING DOMAIN OF INFLUENZA VIRUS POLYMERASE SUBUNIT PB2 WITH BOUND M7GTP INFLUENZA A VIRUS RNA-DEPENDENT RNA POLYMERASE TRANSCRIPTION PB2 SUBUNIT INFLUENZA VIRUS CAP-BINDING DOMAIN
Ref.: THE STRUCTURAL BASIS FOR CAP BINDING BY INFLUENZA VIRUS POLYMERASE SUBUNIT PB2. NAT.STRUCT.MOL.BIOL. V. 15 500 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MGT A:1483;
B:1483;
D:1483;
E:1483;
F:1483;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
Kd = 177 uM
539.223 C11 H20 N5 O14 P3 CN1CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VQZ 2.3 Å NON-ENZYME: BINDING STRUCTURE OF THE CAP-BINDING DOMAIN OF INFLUENZA VIRUS POLYMERASE SUBUNIT PB2 WITH BOUND M7GTP INFLUENZA A VIRUS RNA-DEPENDENT RNA POLYMERASE TRANSCRIPTION PB2 SUBUNIT INFLUENZA VIRUS CAP-BINDING DOMAIN
Ref.: THE STRUCTURAL BASIS FOR CAP BINDING BY INFLUENZA VIRUS POLYMERASE SUBUNIT PB2. NAT.STRUCT.MOL.BIOL. V. 15 500 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2VQZ Kd = 177 uM MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 2VQZ Kd = 177 uM MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2VQZ Kd = 177 uM MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MGT; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 MGT 1 1
2 M7G 0.910256 1
3 8GT 0.557895 0.914634
4 TPG 0.55 0.920455
5 G8D 0.505155 0.914634
6 M7M 0.49505 0.963855
7 U5F 0.458333 0.780488
8 CTP 0.453608 0.829268
9 HF4 0.453608 0.829268
10 UTP 0.447917 0.780488
11 6G0 0.438095 0.837209
12 BUP 0.434343 0.755814
13 8DG 0.433962 0.872093
14 01G 0.433628 0.791209
15 MGP 0.428571 0.837209
16 H6Y 0.428571 0.77907
17 QBQ 0.419048 0.811765
18 8GM 0.414141 0.902439
19 M7G A2M G 0.411765 0.88764
20 GTP 0.411215 0.823529
Similar Ligands (3D)
Ligand no: 1; Ligand: MGT; Similar ligands found: 20
No: Ligand Similarity coefficient
1 MGO 0.9906
2 ACP 0.9160
3 GNP 0.9145
4 GDP 0.9090
5 ANP 0.9080
6 ATP 0.9049
7 DGT 0.9047
8 ADP 0.8986
9 HDV 0.8887
10 HF7 0.8870
11 DTP 0.8868
12 GCP 0.8785
13 DZ4 0.8738
14 ADP BEF 0.8727
15 ALF ADP 0.8717
16 3AT 0.8706
17 ADX 0.8706
18 TTP 0.8701
19 AP2 0.8634
20 GDP BEF 0.8600
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VQZ; Ligand: MGT; 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: 2vqz.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2VQZ; Ligand: MGT; 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: 2vqz.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2VQZ; Ligand: MGT; 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: 2vqz.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2VQZ; Ligand: MGT; 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: 2vqz.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2VQZ; Ligand: MGT; 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: 2vqz.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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