Receptor
PDB id Resolution Class Description Source Keywords
1EPB 2.2 Å NON-ENZYME: BINDING STRUCTURE OF THE EPIDIDYMAL RETINOIC ACID-BINDING PROTEIN AT ANGSTROMS RESOLUTION RATTUS NORVEGICUS RETINOIC ACID-BINDING PROTEIN
Ref.: STRUCTURE OF THE EPIDIDYMAL RETINOIC ACID BINDING P 2.1 A RESOLUTION. STRUCTURE V. 1 7 1993
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
REA A:165;
B:165;
Valid;
Valid;
none;
none;
submit data
300.435 C20 H28 O2 CC1=C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EPB 2.2 Å NON-ENZYME: BINDING STRUCTURE OF THE EPIDIDYMAL RETINOIC ACID-BINDING PROTEIN AT ANGSTROMS RESOLUTION RATTUS NORVEGICUS RETINOIC ACID-BINDING PROTEIN
Ref.: STRUCTURE OF THE EPIDIDYMAL RETINOIC ACID BINDING P 2.1 A RESOLUTION. STRUCTURE V. 1 7 1993
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1EPB - REA C20 H28 O2 CC1=C(C(CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1EPB - REA C20 H28 O2 CC1=C(C(CC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 1EPB - REA C20 H28 O2 CC1=C(C(CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: REA; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 REA 1 1
2 9CR 1 1
3 BCR 0.724138 0.730769
4 RET 0.704918 0.84
5 AZE 0.7 0.76
6 RTL 0.671875 0.758621
7 ECH 0.589041 0.724138
8 RET RET 0.512195 0.703704
9 45D 0.410959 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1EPB; Ligand: REA; Similar sites found: 210
This union binding pocket(no: 1) in the query (biounit: 1epb.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4HIA FMN 0.0002473 0.49716 None
2 2Z6C FMN 0.0005103 0.45829 None
3 4WN5 MVC 0.0008946 0.4534 None
4 4WUJ FMN 0.001402 0.4386 None
5 4DE9 VTP 0.007031 0.42275 None
6 4Q0L V14 0.005166 0.42188 None
7 4IPH 1FJ 0.006493 0.4173 None
8 3W68 VIV 0.005892 0.416 None
9 3L5R 47X 0.04785 0.41516 None
10 5BVB DOG 0.004287 0.41267 None
11 1OGZ EQU 0.002936 0.41106 None
12 1N07 FMN 0.01476 0.40989 None
13 5OO5 UUA 0.005549 0.40769 None
14 2YGN PCF 0.01478 0.40622 None
15 4XBT FLC 0.004753 0.40553 None
16 4XBT 3ZQ 0.003945 0.40254 None
17 5DQ8 FLF 0.01414 0.40014 1.21951
18 3PFG TLO 0.001042 0.47439 1.82927
19 4XCB HY0 0.001015 0.45619 1.82927
20 4P7X AKG 0.003315 0.41977 1.82927
21 4P7X YCP 0.003315 0.41977 1.82927
22 3MHA Z69 0.008942 0.41379 1.82927
23 1MH5 HAL 0.01103 0.40664 1.82927
24 2Z6D FMN 0.002106 0.43067 2.30769
25 3E2M E2M 0.002076 0.44016 2.43902
26 2WKQ FMN 0.002882 0.42455 2.43902
27 4XT2 43L 0.001782 0.43974 2.5641
28 1N5S ADL 0.002516 0.42293 2.67857
29 2V0U FMN 0.004698 0.41501 2.73973
30 5DJT FMN 0.003016 0.42366 2.75862
31 5DJU FMN 0.003344 0.4236 2.75862
32 5EFW FMN 0.003688 0.41974 2.75862
33 2PR5 FMN 0.001118 0.44301 3.0303
34 5IXG OTP 0.00325 0.45423 3.04878
35 4O12 2QG 0.03566 0.43246 3.04878
36 1GP6 QUE 0.003304 0.43243 3.04878
37 5EPQ OLA 0.001674 0.43077 3.04878
38 4YZC STU 0.006971 0.42892 3.04878
39 5A5W GUO 0.009272 0.42711 3.04878
40 1GP6 DH2 0.004104 0.4265 3.04878
41 1GP6 SIN 0.004104 0.4265 3.04878
42 5N87 N66 0.009931 0.42042 3.04878
43 4YGF AZM 0.004832 0.41447 3.04878
44 5L9V OGA 0.00389 0.40126 3.04878
45 5FXD H7Y 0.007842 0.40102 3.04878
46 4ZU4 4TG 0.003487 0.41664 3.37838
47 4EES FMN 0.001115 0.44514 3.47826
48 3RGA LSB 0.000476 0.45496 3.65854
49 3PE2 E1B 0.00676 0.43763 3.65854
50 1EWF PC1 0.005727 0.43731 3.65854
51 2YNE NHW 0.03604 0.42174 3.65854
52 2YNE YNE 0.03604 0.42174 3.65854
53 3UDZ ADP 0.006142 0.40978 3.65854
54 1ZDU P3A 0.01064 0.40884 3.65854
55 4OCT AKG 0.002423 0.40816 3.65854
56 3E8T UQ8 0.04144 0.40521 3.65854
57 4B7P 9UN 0.03277 0.40449 3.65854
58 4MNS 2AX 0.001097 0.47943 3.77358
59 1DZK PRZ 0.001552 0.43223 3.82166
60 3T50 FMN 0.0005635 0.45636 3.90625
61 2CM4 RCL 0.0002986 0.4731 4
62 2A1L PCW 0.0005437 0.49038 4.26829
63 4D06 NAR 0.000912 0.45109 4.26829
64 3E8N ATP 0.005999 0.43925 4.26829
65 3E8N VRA 0.005999 0.43925 4.26829
66 2WSA MYA 0.02082 0.4339 4.26829
67 2WSA 646 0.02082 0.4339 4.26829
68 5EOB 5QQ 0.01562 0.42529 4.26829
69 4QCK ASD 0.002641 0.41564 4.26829
70 3LVW GSH 0.01352 0.41505 4.26829
71 2WA4 069 0.002954 0.41159 4.26829
72 3W9R A8S 0.003483 0.40682 4.26829
73 3SLS 77D 0.007732 0.40334 4.26829
74 2HKA C3S 0.007599 0.40562 4.61538
75 4TW7 37K 0.01213 0.40619 4.6875
76 2E56 MYR 0.004674 0.43112 4.86111
77 5A3T MMK 0.00454 0.43172 4.87805
78 5F3I 5UJ 0.01519 0.42664 4.87805
79 4OPC PGT 0.04651 0.42361 4.87805
80 4OPC FDA 0.04153 0.42361 4.87805
81 4NZN 2OU 0.01546 0.41812 4.87805
82 4NZN ANP 0.01546 0.41812 4.87805
83 4QM9 CYS 0.0003998 0.41162 4.87805
84 4WHZ 3NL 0.02634 0.41004 4.87805
85 5LRT ADP 0.009978 0.40866 4.87805
86 4IE6 UN9 0.01267 0.40807 4.87805
87 3FW3 ETS 0.00829 0.40392 4.87805
88 5SVV FMN 0.001222 0.44334 5.10949
89 1VYF OLA 0.01297 0.40187 5.18518
90 5KWY C3S 0.007578 0.40168 5.26316
91 2XXP DSL 0.0035 0.46803 5.4878
92 3Q8G PEE 0.005373 0.44935 5.4878
93 4WVO 3UZ 0.001732 0.44702 5.4878
94 3JRS A8S 0.001578 0.44029 5.4878
95 2XMY CDK 0.0108 0.43968 5.4878
96 2I8T GDD 0.004835 0.42476 5.4878
97 3FW9 SLX 0.003359 0.42156 5.4878
98 3S7O LBV 0.00956 0.41769 5.4878
99 3K3K A8S 0.001258 0.41671 5.4878
100 2ET1 GLV 0.0003532 0.41522 5.4878
101 2Z93 END 0.003359 0.41213 5.4878
102 3OJI PYV 0.008827 0.40453 5.4878
103 5JO1 6LM 0.008864 0.40444 5.4878
104 2GU8 796 0.04313 0.40364 5.4878
105 4OMJ 2TX 0.0008713 0.46835 6.09756
106 1OLM VTQ 0.001016 0.45779 6.09756
107 4LA7 A1O 0.00229 0.43819 6.09756
108 5JNN 6LM 0.00331 0.42916 6.09756
109 1NYW DAU 0.003522 0.42064 6.09756
110 2JEN GLC GLC BGC XYS BGC XYS 0.006482 0.41239 6.09756
111 4WUP 3UF 0.03188 0.41034 6.09756
112 3H7J PPY 0.003856 0.40972 6.09756
113 5MW8 ATP 0.009116 0.40732 6.09756
114 2YGO PCF 0.01499 0.40593 6.09756
115 2GC0 PAN 0.008118 0.40239 6.09756
116 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.006727 0.408 6.19469
117 4J7Q B7N 0.002151 0.45224 6.70732
118 1GQG DCD 0.001139 0.4486 6.70732
119 3PG7 PTY 0.001992 0.4486 6.70732
120 1REQ DCA 0.012 0.42444 6.70732
121 1E8G FAD 0.01729 0.41662 6.70732
122 4ZS4 ATP 0.00639 0.409 6.70732
123 4MP8 NAD 0.02263 0.40624 6.70732
124 5MN0 A8S 0.006999 0.40321 6.70732
125 5IXH OTP 0.008476 0.43094 6.8323
126 1OGX EQU 0.0004524 0.45065 6.87023
127 1RYA GDP 0.00976 0.41059 6.875
128 1GT4 UNA 0.001102 0.43882 6.91824
129 3MTX PGT 0.02551 0.40171 7.28477
130 1D6H COA 0.004062 0.44852 7.31707
131 5BVE 4VG 0.03101 0.41428 7.31707
132 2XIQ MLC 0.01988 0.40013 7.31707
133 3E85 BSU 0.0005899 0.48412 7.59494
134 1UNB AKG 0.003743 0.4329 7.92683
135 1UNB PN1 0.004286 0.4329 7.92683
136 3STD MQ0 0.009492 0.40967 7.92683
137 1N9L FMN 0.0006782 0.45275 8.25688
138 3IS2 FAD 0.0007427 0.46573 8.44156
139 1ODM ASV 0.001019 0.45442 8.53659
140 5I0U DCY 0.001128 0.42003 8.53659
141 1VA6 P2S 0.02038 0.40644 8.53659
142 1VA6 ADP 0.01839 0.40644 8.53659
143 1DY4 SNP 0.04662 0.40576 8.53659
144 4U03 GTP 0.01486 0.40481 8.53659
145 3D72 FAD 0.001102 0.46071 8.72483
146 2YG2 S1P 0.0000001748 0.62261 9.14634
147 2YG2 FLC 0.0000002582 0.62261 9.14634
148 3QCQ 3Q0 0.01687 0.43922 9.14634
149 4WW7 AMP 0.005201 0.41674 9.14634
150 2Y88 2ER 0.02335 0.40357 9.14634
151 1WUR 8DG 0.01303 0.40021 9.14634
152 5DKK FMN 0.007307 0.40639 9.65517
153 1ZB6 DIN 0.001222 0.45562 9.7561
154 1ZB6 GST 0.001316 0.45562 9.7561
155 3BXO UPP 0.007501 0.40188 9.7561
156 3TAY MN0 0.01461 0.40098 9.81595
157 3RUG DB6 0.01065 0.4279 10.101
158 3QUZ QUV 0.04398 0.40182 10.101
159 3G08 FEE 0.0493 0.40066 10.101
160 5BU3 4W9 0.0001492 0.48677 10.3261
161 5AIG VPR 0.00103 0.42599 10.4
162 4R38 RBF 0.001084 0.44569 10.7143
163 1HG4 LPP 0.01017 0.41119 10.9756
164 3AMN CBK 0.01264 0.40536 10.9756
165 3AMN CBI 0.01264 0.40536 10.9756
166 4XIZ LPP 0.01227 0.41372 11.4286
167 3N0Y APC 0.001297 0.44784 11.5854
168 2JIG PD2 0.001346 0.41 11.5854
169 5W0N UPU 0.000863 0.40929 11.5854
170 4XDA ADP 0.01704 0.40691 11.5854
171 4XDA RIB 0.01704 0.40691 11.5854
172 3TDV GDP 0.007599 0.40367 11.5854
173 2RKV COA 0.02176 0.40293 11.5854
174 2RKV ZBA 0.02525 0.40293 11.5854
175 4Q0K GA3 0.004743 0.4067 11.7284
176 4QDC ASD 0.001376 0.43454 12.1951
177 4QJP V1F 0.006724 0.41659 12.1951
178 4H2V AMP 0.006057 0.41373 12.1951
179 5FIT AP2 0.003202 0.40873 12.2449
180 3VQ2 LP4 LP5 MYR DAO 0.0001424 0.5177 12.8049
181 5DRB 5FJ 0.0007618 0.48425 12.8049
182 5HV0 AKG 0.0004201 0.45071 12.8049
183 2AG4 OLA 0.006526 0.44663 12.8049
184 2AG4 LP3 0.007203 0.44663 12.8049
185 3KDJ A8S 0.00151 0.43715 12.8049
186 2Z77 HE7 0.004232 0.42426 12.9496
187 1IF7 SBR 0.02849 0.42947 13.4146
188 2XK9 XK9 0.01149 0.41737 13.4146
189 3ILR SGN IXD 0.03292 0.40748 13.4146
190 5ML3 DL3 0.001618 0.4606 13.4228
191 3PQB VGP 0.001582 0.44023 14.0244
192 4MA6 28E 0.0008859 0.41597 15.2866
193 3P7N FMN 0.001113 0.4431 17.6829
194 2E3N 6CM 0.000877 0.46822 18.2927
195 4UWJ MYA 0.0207 0.42582 19.5122
196 4UWJ 7L5 0.0207 0.42582 19.5122
197 4RFM 3P6 0.01466 0.42273 19.5122
198 4C2V YJA 0.01626 0.40426 19.5122
199 4WO4 JLS 0.02142 0.40931 20
200 3VMG 9CA 0.002815 0.40832 20.8696
201 5BYZ 4WE 0.005394 0.42819 22.561
202 5HA0 LTD 0.0003952 0.47515 25.641
203 1ERB ETR 0.001132 0.45562 28.6585
204 1IIU RTL 0.003968 0.42209 28.6585
205 3FW4 CAQ 0.001335 0.449 35.3933
206 2GJ5 VD3 0.00001576 0.55739 35.8025
207 2OVD DAO 0.00000175 0.49501 37.8049
208 1QY1 PRZ 0.00003209 0.51706 38.4146
209 1I06 TZL 0.001131 0.40786 38.4146
210 4IAW LIZ 0.001466 0.41634 39.0244
Pocket No.: 2; Query (leader) PDB : 1EPB; Ligand: REA; 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: 1epb.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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