Receptor
PDB id Resolution Class Description Source Keywords
1UNQ 0.98 Å EC: 2.7.11.1 HIGH RESOLUTION CRYSTAL STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN OF PROTEIN KINASE B/AKT BOUND TO INS ( 1,3,4,5)-TETRAKISPHOPHATE HOMO SAPIENS TRANSFERASE PLECKSTRIN HOMOLOGY DOMAIN PKB AKT PHOSPHOINOSITIDE SERINE/THREONINE-PROTEIN KINASE ATP-BINDING PHOSPHORYLATION NUCLEAR PROTEIN
Ref.: BINDING OF PHOSPHATIDYLINOSITOL 3,4,5-TRISPHOSPHATE TO THE PLECKSTRIN HOMOLOGY DOMAIN OF PROTEIN KINASE B INDUCES A CONFORMATIONAL CHANGE BIOCHEM.J. V. 375 531 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4IP A:1117;
Valid;
none;
submit data
500.075 C6 H16 O18 P4 [C@H]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UNQ 0.98 Å EC: 2.7.11.1 HIGH RESOLUTION CRYSTAL STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN OF PROTEIN KINASE B/AKT BOUND TO INS ( 1,3,4,5)-TETRAKISPHOPHATE HOMO SAPIENS TRANSFERASE PLECKSTRIN HOMOLOGY DOMAIN PKB AKT PHOSPHOINOSITIDE SERINE/THREONINE-PROTEIN KINASE ATP-BINDING PHOSPHORYLATION NUCLEAR PROTEIN
Ref.: BINDING OF PHOSPHATIDYLINOSITOL 3,4,5-TRISPHOSPHATE TO THE PLECKSTRIN HOMOLOGY DOMAIN OF PROTEIN KINASE B INDUCES A CONFORMATIONAL CHANGE BIOCHEM.J. V. 375 531 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 1H10 - 4IP C6 H16 O18 P4 [C@H]1([C@....
2 1UNQ - 4IP C6 H16 O18 P4 [C@H]1([C@....
3 2UVM - GVF C6 H10 O16 P4 c1cc(c(c(c....
4 2UZS - 4IP C6 H16 O18 P4 [C@H]1([C@....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 1H10 - 4IP C6 H16 O18 P4 [C@H]1([C@....
2 1UNQ - 4IP C6 H16 O18 P4 [C@H]1([C@....
3 2UVM - GVF C6 H10 O16 P4 c1cc(c(c(c....
4 2UZS - 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 55 families.
1 1H10 - 4IP C6 H16 O18 P4 [C@H]1([C@....
2 1UNQ - 4IP C6 H16 O18 P4 [C@H]1([C@....
3 2UVM - GVF C6 H10 O16 P4 c1cc(c(c(c....
4 2UZS - 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 : 1UNQ; Ligand: 4IP; Similar sites found: 92
This union binding pocket(no: 1) in the query (biounit: 1unq.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3S43 478 0.01287 0.42988 None
2 2P3B 3TL 0.02748 0.42147 None
3 2FWP ICR 0.01348 0.41148 None
4 5T2Z 017 0.02891 0.41141 None
5 1OGX EQU 0.01309 0.41094 None
6 4Q5M ROC 0.03373 0.41013 None
7 3FSM 2NC 0.04361 0.40793 None
8 4L1A AB1 0.0206 0.40658 None
9 1V3S ATP 0.02357 0.40597 None
10 2WOE AR6 0.02592 0.40574 None
11 1IDA 0PO 0.04838 0.40574 None
12 4YHQ G10 0.04733 0.40456 None
13 4CQK PIO 0.009795 0.40454 None
14 4RLE 2BA 0.01892 0.41051 1.7094
15 5EOU ATP 0.007751 0.43384 2.4
16 4LUT DCS 0.007956 0.4279 2.4
17 2WQP WQP 0.01307 0.42773 2.4
18 4TW7 37K 0.03099 0.4061 2.4
19 4EU7 COA 0.0421 0.41118 3.2
20 4OTH DRN 0.01906 0.41179 4
21 5CUQ NSC 0.03398 0.41116 4
22 4XBA 5GP 0.0165 0.40681 4
23 4XBA GMP 0.01545 0.40562 4
24 3HGM ATP 0.02744 0.40364 4
25 4DQL NAP 0.01318 0.44044 4.8
26 4DQL FAD 0.007077 0.43927 4.8
27 3LN0 52B 0.02067 0.43707 4.8
28 1JCM 137 0.007954 0.42508 4.8
29 2AMV BIN 0.04077 0.42291 4.8
30 4MFL MFK 0.03158 0.41708 4.8
31 2ZE7 AMP 0.02554 0.40942 4.8
32 1LBF 137 0.03204 0.40528 4.8
33 1XKD NAP 0.04353 0.40064 4.8
34 5GXU FAD 0.0005815 0.50289 5.6
35 4U31 MVP 0.02354 0.41957 5.6
36 4WK1 2BA 0.01494 0.4123 5.6
37 4FG8 ATP 0.01837 0.40958 5.6
38 1SSQ CYS 0.04132 0.40601 5.6
39 3R5Y F42 0.03122 0.40415 5.6
40 4A3R CIT 0.01786 0.40314 5.6
41 4MBY BGC SIA GAL 0.01365 0.40128 5.6
42 5DKK FMN 0.02503 0.40103 6.2069
43 1OVD ORO 0.02277 0.42483 6.4
44 1OVD FMN 0.02277 0.42483 6.4
45 5KL0 G16 0.01021 0.41061 6.4
46 5IOK ACE GLN THR ALA ARG KCR SER THR 0.03576 0.4071 6.4
47 4IPH 1FJ 0.01004 0.43115 6.50407
48 1RE8 BD2 0.01348 0.44288 7.2
49 4ZS4 ATP 0.01009 0.42285 7.2
50 3RYC GTP 0.02377 0.41841 7.2
51 1BC5 ACE ASN TRP GLU THR PHE 0.007627 0.41697 7.2
52 5AVF TAU 0.01403 0.40354 7.2
53 1GQG DCD 0.03352 0.40082 7.2
54 2PYW ADP 0.01775 0.41152 8
55 3A5Z KAA 0.03155 0.40503 8
56 4HIA FMN 0.01552 0.43302 8.8
57 3G6K POP 0.01859 0.42249 9.6
58 3G6K FAD 0.02051 0.42249 9.6
59 3ALN ANP 0.0178 0.41145 9.6
60 3N1S 5GP 0.01615 0.40591 9.6
61 4ZCW 4NG 0.01146 0.41573 10.4
62 5LI1 ANP 0.02013 0.41093 10.4
63 5M42 FMN 0.01381 0.41068 10.4
64 4BTK DTQ 0.01685 0.41045 10.4
65 2AL2 2PG 0.012 0.4104 10.4
66 1EBG PAH 0.0218 0.40517 10.4
67 1O44 852 0.01097 0.44461 11.1111
68 3LJU IP9 0.002281 0.43317 11.2
69 4YHB FAD 0.01329 0.42457 11.2
70 4NJS G08 0.01501 0.42932 12.1212
71 4XT2 43L 0.03026 0.40572 12.3967
72 2PTZ PAH 0.0127 0.4139 12.8
73 2G37 FAD 0.01818 0.41184 12.8
74 5VZ0 ADP 0.02276 0.40148 12.8
75 4RGQ 13P 0.02669 0.42308 14.4
76 3FXU TSU 0.02029 0.41479 14.4
77 4DV8 0LX 0.02184 0.4248 16
78 3C3N FMN 0.02661 0.41953 16
79 3OZV FAD 0.01137 0.44918 17.6
80 1UPR 4IP 0.0000005763 0.51942 17.8862
81 2PTR 2SA 0.01169 0.42967 19.2
82 4G4S LDZ 0.01178 0.41642 23.2
83 3AJ4 SEP 0.0004433 0.41463 33.0357
84 2I5F 5IP 0.0000004237 0.5727 40.367
85 5C79 PBU 0.008183 0.40485 40.8
86 1U29 I3P 0.00002328 0.53906 43.2
87 1FHX 4IP 0.00001194 0.55889 44
88 4KAX 4IP 0.0000219 0.53926 44
89 2R09 4IP 0.00004439 0.52339 44
90 2R0D 4IP 0.00004594 0.49151 44
91 1FHW I5P 0.0001925 0.48876 44
92 1FAO 4IP 0.0000115 0.55284 44.8
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