Receptor
PDB id Resolution Class Description Source Keywords
3LJU 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FULL LENGTH CENTAURIN ALPHA-1 BOUND WIT GROUP OF PIP3 HOMO SAPIENS STRUCTURAL GENOMICS CONSORTIUM GAP GTPASE ACTIVATION SGCBINDING NUCLEUS PHOSPHOPROTEIN ZINC-FINGER HYDROLASE AC
Ref.: PHOSPHORYLATION-INDEPENDENT DUAL-SITE BINDING OF TH DOMAIN OF KIF13 MEDIATES PHOSPHOINOSITIDE TRANSPORT CENTAURIN ALPHA1. PROC.NATL.ACAD.SCI.USA V. 107 20346 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IP9 X:371;
X:372;
Valid;
Valid;
none;
none;
submit data
826.546 C25 H50 O22 P4 CCCCC...
ZN X:401;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LJU 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FULL LENGTH CENTAURIN ALPHA-1 BOUND WIT GROUP OF PIP3 HOMO SAPIENS STRUCTURAL GENOMICS CONSORTIUM GAP GTPASE ACTIVATION SGCBINDING NUCLEUS PHOSPHOPROTEIN ZINC-FINGER HYDROLASE AC
Ref.: PHOSPHORYLATION-INDEPENDENT DUAL-SITE BINDING OF TH DOMAIN OF KIF13 MEDIATES PHOSPHOINOSITIDE TRANSPORT CENTAURIN ALPHA1. PROC.NATL.ACAD.SCI.USA V. 107 20346 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3LJU - IP9 C25 H50 O22 P4 CCCCCCCC(=....
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 3LJU - IP9 C25 H50 O22 P4 CCCCCCCC(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3LJU - IP9 C25 H50 O22 P4 CCCCCCCC(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IP9; Similar ligands found: 86
No: Ligand ECFP6 Tc MDL keys Tc
1 IP9 1 1
2 PIZ 0.985507 1
3 52N 0.863014 0.979592
4 PIO 0.863014 0.979592
5 PIF 0.821918 0.979592
6 PII 0.77027 0.959184
7 B7N 0.707317 0.94
8 PBU 0.641026 0.918367
9 6PH 0.616438 0.875
10 LPP 0.616438 0.875
11 7PH 0.616438 0.875
12 3PH 0.616438 0.875
13 T7X 0.615385 0.94
14 7P9 0.608108 0.875
15 CD4 0.602564 0.836735
16 PIB 0.6 0.918367
17 5P5 0.6 0.918367
18 PEF 0.594937 0.706897
19 PTY 0.594937 0.706897
20 8PE 0.594937 0.706897
21 PEH 0.594937 0.706897
22 PEV 0.594937 0.706897
23 HGP 0.592593 0.655738
24 6PL 0.592593 0.655738
25 LIO 0.592593 0.655738
26 HGX 0.592593 0.655738
27 PC7 0.592593 0.655738
28 PLD 0.592593 0.655738
29 P5S 0.592593 0.719298
30 DB4 0.589744 0.918367
31 PD7 0.589041 0.875
32 PGT 0.5875 0.803922
33 LHG 0.5875 0.803922
34 9PE 0.5875 0.706897
35 PEE 0.5875 0.694915
36 PX2 0.586667 0.816327
37 XP5 0.567901 0.655738
38 4PT 0.564706 0.9
39 LOP 0.551724 0.694915
40 L9Q 0.551724 0.694915
41 PCW 0.550562 0.645161
42 PIE 0.549451 0.882353
43 M7U 0.548781 0.875
44 CN3 0.546512 0.836735
45 PGW 0.545455 0.788462
46 44E 0.540541 0.875
47 DR9 0.539326 0.788462
48 PGV 0.539326 0.788462
49 P6L 0.533333 0.788462
50 TGL 0.528571 0.604167
51 OZ2 0.527473 0.788462
52 PSF 0.52439 0.719298
53 CN6 0.523256 0.836735
54 ZPE 0.522222 0.694915
55 PCK 0.521739 0.625
56 44G 0.518519 0.803922
57 CDL 0.518072 0.76
58 PGK 0.516484 0.759259
59 DGG 0.516129 0.826923
60 MC3 0.511628 0.616667
61 PCF 0.511628 0.616667
62 PC1 0.511628 0.616667
63 PSC 0.510417 0.645161
64 3PE 0.505882 0.637931
65 GP7 0.505263 0.694915
66 PEK 0.484211 0.694915
67 AGA 0.482759 0.769231
68 3PI 0.482759 0.918367
69 L9R 0.478723 0.606557
70 PDK 0.475728 0.621212
71 L2C 0.460526 0.612245
72 DGA 0.460526 0.612245
73 DDR 0.460526 0.612245
74 1O2 0.459184 0.672727
75 3TF 0.454545 0.672727
76 DGD 0.454545 0.690909
77 P3A 0.453608 0.754717
78 EPH 0.442308 0.694915
79 SQD 0.4375 0.703125
80 DLP 0.425743 0.606557
81 1L2 0.424528 0.672727
82 GGD 0.418182 0.678571
83 NKN 0.4125 0.836735
84 LPC 0.404494 0.66129
85 LP3 0.404494 0.66129
86 LAP 0.404494 0.66129
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LJU; Ligand: IP9; Similar sites found: 108
This union binding pocket(no: 1) in the query (biounit: 3lju.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2NVA PL2 0.02617 0.40164 1.34409
2 2I7N ACO 0.01555 0.42333 1.38889
3 5XVK SAH 0.03693 0.40303 1.40845
4 2E5A LAQ 0.04423 0.40547 1.44092
5 1WOQ BGC 0.01564 0.40239 1.49813
6 3GD4 FAD 0.02323 0.42449 1.5544
7 3TN7 NJP 0.01797 0.41465 1.55642
8 2WQP WQP 0.01764 0.40997 1.7192
9 3OZV ECN 0.0366 0.42315 1.81347
10 3OZV FAD 0.03744 0.41255 1.81347
11 5GXU FAD 0.01618 0.41076 1.81347
12 1Q3Q ANP 0.03333 0.40613 1.81347
13 1U5R ATP 0.01219 0.41738 2.01149
14 2QE0 NAP 0.01233 0.43884 2.07254
15 4I9B NAD 0.02106 0.40619 2.07254
16 5LRT ADP 0.04547 0.4061 2.07254
17 4C5N ACP 0.01115 0.42467 2.17391
18 4C5N PXL 0.01166 0.42467 2.17391
19 1FDJ 2FP 0.01226 0.41208 2.20386
20 5T8U LPA 0.008791 0.42187 2.22222
21 5LI1 ANP 0.01853 0.41489 2.25989
22 3EYA TDP 0.0292 0.40929 2.33161
23 2OOR TXP 0.04739 0.40449 2.34375
24 5AG3 3EB 0.02102 0.40209 2.35294
25 2JL1 NAP 0.03748 0.40394 2.43902
26 1WMA NDP 0.01293 0.44212 2.53623
27 1WMA AB3 0.01293 0.44212 2.53623
28 4ZUL UN1 0.04201 0.40078 2.59067
29 4KWI NAP 0.02848 0.42822 2.6616
30 4KWI 1TJ 0.02942 0.42822 2.6616
31 4UUG PXG 0.01614 0.41782 2.71084
32 3F8D FAD 0.02639 0.43214 2.78638
33 3HQP ATP 0.01123 0.41821 2.84974
34 3NJV RAM GTR RAM GTR RAM GTR 0.02796 0.4082 2.84974
35 3ANP DAO 0.02548 0.41109 2.94118
36 3HY3 10F 0.01321 0.42773 2.95567
37 4A0M NAD 0.03188 0.4144 3.10881
38 2ZMF CMP 0.01538 0.40268 3.1746
39 1PNF NDG NAG 0.01247 0.40591 3.18471
40 2C29 NAP 0.02206 0.4381 3.2641
41 2C29 DQH 0.02206 0.4381 3.2641
42 1FEC FAD 0.03559 0.42249 3.36788
43 5DYW 5HF 0.01739 0.41757 3.36788
44 1U1I NAD 0.03199 0.41636 3.36788
45 4YEF 4CQ 0.01571 0.41711 3.37079
46 2TPS TPS 0.01445 0.42126 3.52423
47 4Z3E GAL NGA GLA BGC GAL 0.009536 0.4079 3.53535
48 3JSX FAD 0.02273 0.40812 3.663
49 3JSX CC2 0.035 0.40812 3.663
50 4R4U COA 0.01222 0.42326 3.80623
51 1FL2 FAD 0.01614 0.41947 3.87097
52 3RJ5 NAD 0.01146 0.44355 3.88601
53 2F5Z FAD 0.04816 0.41097 3.88601
54 5IQD RIO 0.04955 0.4058 3.93443
55 5IQD GNP 0.0477 0.4058 3.93443
56 3AY6 NAI 0.02423 0.4196 4.08922
57 2WLG SOP 0.01482 0.43876 4.18605
58 4KBA 1QM 0.03952 0.40247 4.22961
59 1IXE COA 0.01229 0.41779 4.24403
60 5K21 6QF 0.003015 0.43942 4.25532
61 3ZV6 4HB 0.02241 0.42483 4.27046
62 3ZV6 NAD 0.02169 0.42483 4.27046
63 1MFI FHC 0.01163 0.40191 4.38596
64 3MJE NDP 0.02667 0.41103 4.43548
65 1UU6 BGC BGC BGC BGC 0.01095 0.42219 4.46429
66 2DTX BMA 0.01572 0.4312 4.54545
67 2I7C AAT 0.03046 0.41551 4.59364
68 3VZ3 NAP 0.0236 0.41079 4.66321
69 4BMO FMN 0.04108 0.40055 5.04202
70 2Q0L FAD 0.02405 0.42592 5.14469
71 3QWI NAP 0.01849 0.41448 5.18518
72 3T4L ZEA 0.02975 0.40631 5.18518
73 5WGR PM7 0.008222 0.43402 5.69948
74 3WYJ H78 0.039 0.43125 5.92885
75 4NST ADP 0.01982 0.40723 5.97015
76 4EFH ADP 0.01833 0.41155 6.06061
77 2RH4 EMO 0.0313 0.41845 6.13718
78 3VPH NAD 0.03998 0.40705 6.45161
79 1Q20 A3P 0.04411 0.40114 6.68896
80 1Q20 PLO 0.04411 0.40114 6.68896
81 4BG1 IVL 0.01651 0.41373 7.25389
82 1QSC ACE TYR PRO ILE GLN GLU THR 0.03852 0.4038 7.32984
83 5KBZ 3B2 0.03318 0.41944 7.77202
84 4YAG NAI 0.02978 0.42498 8.99654
85 2CDU FAD 0.0153 0.43938 9.06736
86 1GTE IUR 0.0377 0.40014 9.06736
87 1GTE FMN 0.0377 0.40014 9.06736
88 1FDQ HXA 0.02358 0.41897 9.16031
89 2YVJ FAD 0.01454 0.44134 9.17431
90 1OFD FMN 0.0471 0.41302 9.84456
91 4WB6 ATP 0.006897 0.44805 10.2857
92 2QCS ANP 0.007329 0.44368 10.2857
93 3FHI ANP 0.01193 0.42657 10.2857
94 1NCQ W11 0.01069 0.42063 10.2941
95 4BFM ANP 0.02703 0.40148 10.479
96 1B55 4IP 0.00005719 0.41155 10.6509
97 1UNQ 4IP 0.002281 0.43317 11.2
98 2FR1 NDP 0.01777 0.42532 11.399
99 4CQM NAP 0.01284 0.42469 11.8852
100 1W1G 4PT 0.00000001928 0.69417 17.2185
101 2TPI ILE VAL 0.02965 0.40765 20.6897
102 2AE2 PTO 0.03858 0.40478 21.1538
103 2AE2 NAP 0.03858 0.40478 21.1538
104 1FHW I5P 0.00007559 0.52334 21.7054
105 1FHX 4IP 0.0001158 0.51003 21.7054
106 1FAO 4IP 0.00000775 0.55229 22.2222
107 1UPR 4IP 0.0002408 0.4511 34.9594
108 1U29 I3P 0.0001507 0.50272 39.5349
Pocket No.: 2; Query (leader) PDB : 3LJU; Ligand: IP9; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3lju.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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