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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 209 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 1205 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 1039 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 VIV 1 1
2 VIT 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 with APoc: 162
This union binding pocket(no: 1) in the query (biounit: 1r5l.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2IYG FMN None
2 4WG0 CHD None
3 5SVV FMN None
4 5KAU RHQ None
5 5B09 4MX None
6 4XCB AKG 1.14943
7 3MTX PGT 1.3245
8 1Y2F WAI 1.43885
9 3OYW TDG 1.49254
10 1OGX EQU 1.52672
11 3H7J PPY 1.64609
12 3H9A PPY 1.64609
13 1YRX FMN 1.9084
14 3WYJ H78 1.97628
15 3NJQ NJQ 2.07254
16 6HDT BTN 2.25564
17 5OSW DIU 2.29008
18 4UBS DIF 2.29008
19 1KYZ FER 2.29008
20 5K7K 6RJ 2.29008
21 4W9N TCL 2.29008
22 3PG7 PTY 2.34375
23 5AZC PGT 2.67176
24 3WV6 GAL BGC 2.67176
25 4L4J NAG NAG BMA MAN NAG 2.71493
26 4UNR QZE 2.85714
27 5LXB 7A9 2.89256
28 1OI6 TMP 2.92683
29 1GQG DCD 3.05344
30 6C1R EFD 3.05344
31 1Y7P RIP 3.13901
32 3E8T UQ8 3.18182
33 1DMY AZM 3.22581
34 2ALG DAO 3.26087
35 2PSJ CEI 3.43511
36 5ZKC 3C0 3.43511
37 4OPC PGT 3.43511
38 5YW0 SIN 3.43511
39 5UWA 8ND 3.44828
40 4XCP PLM 3.52941
41 3O5N BR0 3.57143
42 1Y9Q MED 3.64583
43 3EW2 BTN 3.7037
44 5DG2 GAL GLC 3.7037
45 6CGN DA 3.81679
46 3V1S 0LH 3.81679
47 2HFN FMN 3.92157
48 5F74 AMP 4.08163
49 4DR9 BB2 4.16667
50 3G58 988 4.19847
51 3X01 AMP 4.19847
52 4GNC ASO 4.19847
53 5V3Y 5V8 4.19847
54 6FXR AKG 4.19847
55 2FP2 TSA 4.21687
56 1ONI BEZ 4.34783
57 4WGF HX2 4.39024
58 2D6M LBT 4.40252
59 3BRN SRO 4.4586
60 5NFB 8VT 4.54545
61 5UGW GSH 4.57143
62 5LX9 OLB 4.58015
63 3U1T MLI 4.58015
64 5X7Q GLC GLC GLC GLC 4.58015
65 2QLX RM4 4.62963
66 4WUJ FMN 4.7619
67 3KJQ B94 4.87805
68 5V4R MGT 4.93827
69 3KO0 TFP 4.9505
70 3SCH TB6 5.05051
71 3NV3 GAL NAG MAN 5.07246
72 3WUD GLC GAL 5.14706
73 1N5S ADL 5.35714
74 3G5K BB2 5.46448
75 5C1M OLC 5.6
76 5LWY OLB 5.60748
77 3SAO NKN 5.625
78 2VWA PTY 5.94059
79 6AYI C3G 6.03015
80 5C9J DAO 6.06061
81 3W5N RAM 6.10687
82 4OCT AKG 6.10687
83 1RJW ETF 6.10687
84 1S17 GNR 6.11111
85 1R6N 434 6.16114
86 3GF2 SAL 6.16438
87 3ET1 ET1 6.18557
88 1WS1 BB2 6.41026
89 5FPN KYD 6.48855
90 1XMY ROL 6.48855
91 1XMU ROF 6.48855
92 4AZC NGW 6.48855
93 1XM4 PIL 6.48855
94 4M3P HCS 6.48855
95 3TKY N7I 6.48855
96 3RLF MAL 6.48855
97 1G27 BB1 6.54762
98 3WUC GLC GAL 6.56934
99 1IS3 LAT 6.66667
100 1A78 TDG 6.71642
101 4H2X G5A 6.79612
102 5XEG AKG 6.92641
103 5NTP 98E 7.14286
104 4R38 RBF 7.14286
105 5AIG VPR 7.2
106 5MBC FMN 7.25191
107 5LUN OGA 7.63359
108 3KP6 SAL 7.94702
109 2ZCQ B65 8.01527
110 4Z28 BTN 8.20895
111 1ZED PNP 8.39695
112 4CQK PIO 8.51064
113 2QL9 CIT 9.27835
114 2Y69 CHD 9.45946
115 1C1L GAL BGC 9.48905
116 3KYQ DPV 9.92366
117 1Q1Y BB2 9.94764
118 2Z77 NCA 10.0719
119 2Z77 HE7 10.0719
120 3QUZ QUV 10.101
121 3RUG DB6 10.101
122 5CHR 4NC 10.219
123 5GLT BGC GAL NAG GAL 10.3053
124 1NU4 MLA 10.3093
125 3P9T TCL 10.5023
126 4F4S EFO 10.5263
127 4B7P 9UN 10.8696
128 3SQP 3J8 11.0687
129 3E70 GDP 11.8321
130 4JNJ BTN 12.1739
131 3NNF AKG 12.2137
132 4J8T DOG 12.4088
133 4PZ6 GMP 12.5954
134 5Z84 CHD 12.844
135 5W97 CHD 12.844
136 5ZCO CHD 12.844
137 3L5R 47X 13.1148
138 5HZX 2GE 13.6364
139 1EWF PC1 13.7405
140 3AQT RCO 14.2857
141 6BR9 PGV 14.5038
142 4O08 PO6 14.8855
143 3N7S 3N7 15.625
144 1T0S BML 16.2791
145 4RLT FSE 16.3265
146 3ZXE PGZ 16.5414
147 2BP1 FLC 16.7939
148 5MTE BB2 18.2482
149 2OKL BB2 18.3784
150 1LQY BB2 18.4783
151 2IDO TMP 19.2771
152 4OGQ 1O2 20.6897
153 4OGQ 7PH 20.6897
154 2YOO K2B 25.9542
155 4J7Q B7N 26.3359
156 4IAW LIZ 35.1064
157 3Q8G PEE 38.1679
158 1AUA BOG 40.8397
159 3HX3 RET 40.8397
160 1O6U PLM 44.6565
161 1OLM VTQ 45.8015
162 4OMJ 2TX 46.9466
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