Receptor
PDB id Resolution Class Description Source Keywords
1R5L 1.5 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF HUMAN ALPHA-TOCOPHEROL TRANSFER PROTEIN BOUND TO ITS LIGAND HOMO SAPIENS ATTP TOCOPHEROL ATAXIA WITH VITAMIN E DEFICIENCY TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURE OF HUMAN ALPHA-TOCOPHEROL TRANSFER PROTEIN BOUND TO ITS LIGAND: IMPLICATIONS FOR ATAXIA WITH VITAMIN E DEFICIENCY PROC.NATL.ACAD.SCI.USA V. 100 14713 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
VIV A:301;
Valid;
none;
submit data
430.706 C29 H50 O2 Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1R5L 1.5 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF HUMAN ALPHA-TOCOPHEROL TRANSFER PROTEIN BOUND TO ITS LIGAND HOMO SAPIENS ATTP TOCOPHEROL ATAXIA WITH VITAMIN E DEFICIENCY TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURE OF HUMAN ALPHA-TOCOPHEROL TRANSFER PROTEIN BOUND TO ITS LIGAND: IMPLICATIONS FOR ATAXIA WITH VITAMIN E DEFICIENCY PROC.NATL.ACAD.SCI.USA V. 100 14713 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 1OIP - VIV C29 H50 O2 Cc1c(c2c(c....
2 1R5L - VIV C29 H50 O2 Cc1c(c2c(c....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3W68 - 4PT C17 H36 O22 P4 CCC[C@@H](....
2 5MUG - VIV C29 H50 O2 Cc1c(c2c(c....
3 5MUE - VIV C29 H50 O2 Cc1c(c2c(c....
4 1OIP - VIV C29 H50 O2 Cc1c(c2c(c....
5 1R5L - VIV C29 H50 O2 Cc1c(c2c(c....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3W68 - 4PT C17 H36 O22 P4 CCC[C@@H](....
2 5MUG - VIV C29 H50 O2 Cc1c(c2c(c....
3 5MUE - VIV C29 H50 O2 Cc1c(c2c(c....
4 1OIP - VIV C29 H50 O2 Cc1c(c2c(c....
5 1R5L - VIV C29 H50 O2 Cc1c(c2c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: VIV; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 VIT 1 1
2 VIV 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1R5L; Ligand: VIV; Similar sites found: 70
This union binding pocket(no: 1) in the query (biounit: 1r5l.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2IYG FMN 0.004219 0.43428 None
2 4WG0 CHD 0.01152 0.42441 None
3 3MTX PGT 0.008115 0.40398 1.3245
4 3H7J PPY 0.01172 0.40901 1.64609
5 1YRX FMN 0.007491 0.41821 1.9084
6 2WA4 069 0.01183 0.4126 1.9084
7 4UBS DIF 0.02666 0.40886 2.29008
8 4W9N TCL 0.03455 0.40129 2.29008
9 3PG7 PTY 0.0001385 0.43194 2.34375
10 4XBT FLC 0.007589 0.41057 2.58065
11 4XBT 3ZQ 0.008513 0.40832 2.58065
12 3WV6 GAL BGC 0.00643 0.42367 2.67176
13 2GKL PD2 0.008449 0.41969 2.67176
14 4L4J NAG NAG BMA MAN NAG 0.0004105 0.49744 2.71493
15 4UNR QZE 0.005014 0.42248 2.85714
16 1Y7P RIP 0.007483 0.40546 3.13901
17 3E8T UQ8 0.01716 0.4049 3.18182
18 4XCP PLM 0.009568 0.43623 3.52941
19 1Y9Q MED 0.0282 0.40359 3.64583
20 5DG2 GAL GLC 0.0166 0.40042 3.7037
21 5F74 AMP 0.03021 0.40408 4.08163
22 4DR9 BB2 0.008704 0.41141 4.16667
23 3BRN SRO 0.03184 0.40253 4.4586
24 5UGW GSH 0.007073 0.40182 4.57143
25 4WUJ FMN 0.00294 0.42539 4.7619
26 3T2W BTN 0.02149 0.40371 4.91803
27 5V4R MGT 0.01394 0.4164 4.93827
28 3KO0 TFP 0.0119 0.42987 4.9505
29 3G5K BB2 0.01286 0.40355 5.46448
30 2VWA PTY 0.004478 0.45733 5.94059
31 5U98 1KX 0.01426 0.41058 6.06061
32 4OCT AKG 0.003885 0.44059 6.10687
33 1S17 GNR 0.003074 0.42453 6.11111
34 1WS1 BB2 0.01074 0.40718 6.41026
35 1XMY ROL 0.006372 0.43456 6.48855
36 1XMU ROF 0.008042 0.41675 6.48855
37 1XM4 PIL 0.01439 0.40847 6.48855
38 1G27 BB1 0.004259 0.41827 6.54762
39 4H2X G5A 0.005736 0.41255 6.79612
40 4R38 RBF 0.006381 0.40717 7.14286
41 5AIG VPR 0.01073 0.41872 7.2
42 5MBC FMN 0.009678 0.40928 7.25191
43 5LUN OGA 0.03563 0.40029 7.63359
44 3KP6 SAL 0.03435 0.40801 7.94702
45 2ZCQ B65 0.0125 0.40294 8.01527
46 4Z28 BTN 0.02112 0.40408 8.20895
47 4CQK PIO 0.04147 0.40006 8.51064
48 1C1L GAL BGC 0.0119 0.42261 9.48905
49 3KYQ DPV 0.03256 0.40236 9.92366
50 2Z77 NCA 0.006043 0.44069 10.0719
51 2Z77 HE7 0.009143 0.40039 10.0719
52 5CHR 4NC 0.004201 0.45247 10.219
53 4F4S EFO 0.006882 0.43775 10.5263
54 4B7P 9UN 0.01109 0.40696 10.8696
55 3SQP 3J8 0.003082 0.4577 11.0687
56 4J8T DOG 0.01916 0.40243 12.4088
57 5HZX 2GE 0.004348 0.43818 13.6364
58 3AQT RCO 0.0159 0.4204 14.2857
59 4RLT FSE 0.006776 0.42433 16.3265
60 2BP1 FLC 0.04899 0.4049 16.7939
61 1LQY BB2 0.006331 0.41414 18.4783
62 2YOO K2B 0.002591 0.42781 25.9542
63 4J7Q B7N 0.003492 0.41818 26.3359
64 4IAW LIZ 0.01072 0.41874 35.1064
65 3Q8G PEE 0.00008934 0.50483 38.1679
66 1AUA BOG 0.0004407 0.49987 40.8397
67 3HX3 RET 0.00005476 0.44449 40.8397
68 1O6U PLM 0.005271 0.42543 44.6565
69 1OLM VTQ 0.0009168 0.43235 45.8015
70 4OMJ 2TX 0.0001447 0.47297 46.9466
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