Receptor
PDB id Resolution Class Description Source Keywords
2R09 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AUTOINHIBITED FORM OF GRP1 ARF GTPASE E FACTOR MUS MUSCULUS AUTOINHIBITION GRP1 PIP3 ARF 3-PHOSPHOINOSITIDE PLECKSTHOMOLOGY DOMAIN GUANINE-NUCLEOTIDE RELEASING FACTOR SIGNAPROTEIN
Ref.: STRUCTURAL BASIS AND MECHANISM OF AUTOREGULATION IN 3-PHOSPHOINOSITIDE-DEPENDENT GRP1 FAMILY ARF GTPASE FACTORS. MOL.CELL V. 28 569 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4IP A:405;
B:400;
 Valid;
Valid;
 none;
none;
 submit data
500.075 C6 H16 O18 P4 [C@H]...
PE5 A:407;
 Invalid;
 none;
 submit data
398.489 C18 H38 O9 CCOCC...
PGE A:406;
 Invalid;
 none;
 submit data
150.173 C6 H14 O4 C(COC...
SO4 A:1;
A:400;
A:401;
A:402;
A:403;
A:404;
B:1;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2R09 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AUTOINHIBITED FORM OF GRP1 ARF GTPASE E FACTOR MUS MUSCULUS AUTOINHIBITION GRP1 PIP3 ARF 3-PHOSPHOINOSITIDE PLECKSTHOMOLOGY DOMAIN GUANINE-NUCLEOTIDE RELEASING FACTOR SIGNAPROTEIN
Ref.: STRUCTURAL BASIS AND MECHANISM OF AUTOREGULATION IN 3-PHOSPHOINOSITIDE-DEPENDENT GRP1 FAMILY ARF GTPASE FACTORS. MOL.CELL V. 28 569 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2R09 - 4IP C6 H16 O18 P4 [C@H]1([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2R09 - 4IP C6 H16 O18 P4 [C@H]1([C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 1R8S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 1S9D - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 1R8Q - G3D C10 H16 N5 O14 P3 c1nc2c(n1[....
4 2R09 - 4IP C6 H16 O18 P4 [C@H]1([C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4IP; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 4IP 1 1
2 I3P 0.724138 0.966667
3 I3S 0.724138 0.966667
4 IP5 0.714286 0.965517
5 5IP 0.714286 0.965517
6 5MY 0.714286 0.965517
7 I5P 0.714286 0.965517
8 I4P 0.653846 0.965517
9 I0P 0.62069 0.933333
10 ITP 0.6 0.966667
11 2IP 0.571429 0.966667
12 IHP 0.538462 0.965517
13 I6P 0.538462 0.965517
14 IP2 0.533333 0.966667
15 I4D 0.516129 0.933333
Similar Ligands (3D)
Ligand no: 1; Ligand: 4IP; 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 : 2R09; Ligand: 4IP; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2r09.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1FAO 4IP 31.746
Pocket No.: 2; Query (leader) PDB : 2R09; Ligand: 4IP; 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: 2r09.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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