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Receptor
PDB id Resolution Class Description Source Keywords
3HX3 1.69 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF CRALBP MUTANT R234W HOMO SAPIENS LIPID TRANSFER PROTEIN 11-CIS-RETINAL BOTHNIA DYSTROPHY ACETYLATION CYTOPLASM DISEASE MUTATION RETINITIS PIGMENTOSA RETINOL-BINDING SENSORY TRANSDUCTION TRANSPORT VISION TRANSPORT PROTEIN
Ref.: BOTHNIA DYSTROPHY IS CAUSED BY DOMINO-LIKE REARRANGEMENTS IN CELLULAR RETINALDEHYDE-BINDING PROTEIN MUTANT R234W. PROC.NATL.ACAD.SCI.USA V. 106 18545 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RET A:400;
Valid;
none;
Kd ~ 10 nM
284.436 C20 H28 O CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HX3 1.69 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF CRALBP MUTANT R234W HOMO SAPIENS LIPID TRANSFER PROTEIN 11-CIS-RETINAL BOTHNIA DYSTROPHY ACETYLATION CYTOPLASM DISEASE MUTATION RETINITIS PIGMENTOSA RETINOL-BINDING SENSORY TRANSDUCTION TRANSPORT VISION TRANSPORT PROTEIN
Ref.: BOTHNIA DYSTROPHY IS CAUSED BY DOMINO-LIKE REARRANGEMENTS IN CELLULAR RETINALDEHYDE-BINDING PROTEIN MUTANT R234W. PROC.NATL.ACAD.SCI.USA V. 106 18545 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 4CJ6 - RET C20 H28 O CC1=C(C(CC....
2 3HX3 Kd ~ 10 nM RET C20 H28 O CC1=C(C(CC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 4CJ6 - RET C20 H28 O CC1=C(C(CC....
2 3HX3 Kd ~ 10 nM RET C20 H28 O CC1=C(C(CC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 4CJ6 - RET C20 H28 O CC1=C(C(CC....
2 3HX3 Kd ~ 10 nM RET C20 H28 O CC1=C(C(CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RET; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 RET 1 1
2 BCR 0.811321 0.863636
3 AZE 0.75 0.904762
4 REA 0.704918 0.84
5 9CR 0.704918 0.84
6 RNE 0.688525 0.655172
7 RTL 0.688525 0.740741
8 ECH 0.647059 0.84
9 ETR 0.641791 0.636364
10 45D 0.455882 0.714286
11 6KX 0.425926 0.952381
12 EQ3 0.404762 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HX3; Ligand: RET; Similar sites found with APoc: 105
This union binding pocket(no: 1) in the query (biounit: 3hx3.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1ECM TSA None
2 1UNB PN1 1.28617
3 1UNB AKG 1.28617
4 3KP6 SAL 1.3245
5 2V5E SCR 1.5
6 4Q0A 4OA 1.65563
7 1MT1 AG2 1.76991
8 2QQC AG2 1.78571
9 5D9G GLU ASN LEU TYR PHE GLN 2.03252
10 2ZCQ B65 2.04778
11 3E2M E2M 2.16216
12 5CHR 4NC 2.18978
13 2BP1 FLC 2.21519
14 2P7Q GG6 2.25564
15 4XCB AKG 2.29885
16 4XCB HY0 2.29885
17 4WGF HX2 2.43902
18 5H5A 6OU 2.5
19 2IUW AKG 2.52101
20 3WQM B29 2.65781
21 1Y7P RIP 2.69058
22 5O5Y GLC 2.8481
23 2WA4 069 2.8481
24 5LY2 OGA 2.8481
25 6ADI 9UO 2.8481
26 3P3N AKG 2.8481
27 3AQT RCO 2.85714
28 4Q5M ROC 2.95567
29 5CSD ACD 3.14465
30 5A3T MMK 3.16456
31 5HA0 LTD 3.20513
32 1XE7 GUN 3.44828
33 2E56 MYR 3.47222
34 6F9G PUT 3.48101
35 5JSP DQY 3.48259
36 4NPL AKG 3.6
37 4MLO PAM 3.62319
38 5FQK 6NT 3.71747
39 1YTM OXD 3.79747
40 3PG7 PTY 3.90625
41 2VQ5 HBA 3.9801
42 3OZ2 OZ2 4.11392
43 2XK9 XK9 4.11392
44 4LA7 A1O 4.11392
45 2W3L DRO 4.16667
46 1GQG DCD 4.28571
47 4JH6 FCN 4.34783
48 2BWA GLC BGC 4.40529
49 4QXB OGA 4.41176
50 3PQB VGP 4.43038
51 4RFR RHN 4.4335
52 3ML1 MGD 4.44444
53 1ZDT PEF 4.56432
54 4C01 QY9 4.60993
55 4O8A 2OP 4.74684
56 3RG9 WRA 5
57 6F6D AKG 5.06329
58 5YW0 SIN 5.06329
59 5H9P TD2 5.06329
60 4QM9 CYS 5.20231
61 5KO1 6UY 5.30035
62 1QIN GIP 5.46448
63 5OCM 9RH 5.49828
64 3O01 DXC 5.51948
65 2AXR ABL 5.6962
66 5EPA AKG 5.73477
67 4RYV ZEA 6.45161
68 3QP8 HL0 6.52174
69 5Y02 MXN 6.54206
70 5LWY OLB 6.72269
71 4OPC FDA 6.96203
72 4OPC PGT 6.96203
73 1J3I NDP 7.14286
74 2WDA L42 7.27848
75 3MPB FRU 7.31707
76 4OCT AKG 7.65766
77 2TPS TPS 7.92952
78 2QL9 CIT 8.24742
79 2AGC DAO 8.64198
80 5EZU MYR 8.98876
81 2W92 NGT 9.49367
82 6GNO XDI 9.62963
83 5ZM4 9FU 9.80392
84 5ZM4 AKG 9.80392
85 3NJQ NJQ 9.84456
86 4O4Z N2O 10.3896
87 3KFF XBT 10.4938
88 3KFF ZBT 10.4938
89 2OVD DAO 10.989
90 4ZXA H8N 11.3095
91 3VQ2 LP4 LP5 MYR DAO 12.5
92 5LXT GTP 12.5874
93 4BT5 23B 12.8405
94 1H2M OGA 13.4615
95 1N13 AG2 14.1593
96 1H2K OGA 14.6341
97 1RV1 IMZ 18.8235
98 4J7Q B7N 27.2152
99 1O6U PLM 28.7975
100 2GBB CIT 28.8462
101 1OLM VTQ 29.1139
102 3Q8G PEE 30.3797
103 4OMJ 2TX 33.0935
104 1R5L VIV 40.8397
105 3W68 VIV 41.7293
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