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 1256 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 1068 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 141 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
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 5MY 0.714286 0.965517
5 5IP 0.714286 0.965517
6 IP5 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 Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2R09; Ligand: 4IP; Similar sites found: 35
This union binding pocket(no: 1) in the query (biounit: 2r09.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WQT ANP 0.01961 0.40937 2.01729
2 3NOJ PYR 0.005518 0.42672 2.10084
3 3OZV FAD 0.01626 0.43821 2.30548
4 3OZV ECN 0.02462 0.43141 2.30548
5 3UDG TMP 0.01446 0.40869 2.65781
6 1GQG DCD 0.02235 0.408 2.88184
7 2OWZ F6P 0.02076 0.40285 3.17003
8 2EB5 OXL 0.009506 0.41244 3.37079
9 5IXJ THR 0.02694 0.41316 3.45821
10 1BGV GLU 0.01287 0.40347 3.7464
11 2CUN 3PG 0.02383 0.40553 3.90244
12 4G1V FAD 0.03099 0.40747 4.03458
13 3E9I XAH 0.03339 0.40696 4.03458
14 1DQX BMP 0.02451 0.40434 4.11985
15 3SJK LYS PRO VAL LEU ARG THR ALA 0.002875 0.43789 4.32277
16 1I1E DM2 0.01244 0.4004 4.61095
17 4BVA T3 0.003373 0.47088 4.77612
18 2Q2V NAD 0.03376 0.41123 4.89914
19 3BOS CDP 0.005567 0.40046 4.95868
20 1A78 TDG 0.005098 0.41886 5.22388
21 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 0.04889 0.4003 5.26316
22 1UA4 BGC 0.007293 0.40544 5.4755
23 1UA4 GLC 0.007293 0.40544 5.4755
24 1SLT NDG GAL 0.004214 0.42251 5.97015
25 3SAO DBH 0.01071 0.40784 6.25
26 3O0G 3O0 0.02124 0.40044 8.05369
27 1W1G 4PT 0.000003594 0.58957 9.93377
28 2BOS GLA GAL GLC 0.004406 0.41889 10.2941
29 2BOS GLA GAL 0.00676 0.40115 10.2941
30 5UKL SIX 0.01531 0.42243 11.2392
31 1LSH PLD 0.008058 0.43986 14.9856
32 1B55 4IP 0.00002312 0.47658 27.2189
33 1FAO 4IP 0.000000001863 0.73099 31.746
34 1UPR 4IP 0.00002246 0.54603 34.9594
35 1UNQ 4IP 0.00004439 0.52339 44
Pocket No.: 2; Query (leader) PDB : 2R09; Ligand: 4IP; Similar sites found: 8
This union binding pocket(no: 2) in the query (biounit: 2r09.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4EYG VNL 0.007133 0.41506 2.01729
2 4OYA 1VE 0.03194 0.42915 2.30548
3 2RHO GSP 0.01668 0.41328 2.46154
4 1H3F TYE 0.01763 0.40079 2.88184
5 4B0T ADP 0.02782 0.4019 4.61095
6 3S43 478 0.01777 0.41727 5.05051
7 1W6O LAT 0.005406 0.41121 5.22388
8 1KGI T4A 0.02286 0.40482 11.0236
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