Receptor
PDB id Resolution Class Description Source Keywords
1XIU 2.5 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF THE AGONIST-BOUND LIGAND-BINDING DOMAIN BIOMPHALARIA GLABRATA RXR BIOMPHALARIA GLABRATA NUCLEAR RECEPTOR PROTEIN-LIGAND COMPLEX RETINOID RECEPTORTRANSCRIPTION-TRANSFERASE COMPLEX
Ref.: CRYSTAL STRUCTURE OF A NOVEL TETRAMERIC COMPLEX OF AGONIST-BOUND LIGAND-BINDING DOMAIN OF BIOMPHALARIA RETINOID X RECEPTOR. J.MOL.BIOL. V. 354 841 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
REA A:201;
B:202;
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
1XIU 2.5 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF THE AGONIST-BOUND LIGAND-BINDING DOMAIN BIOMPHALARIA GLABRATA RXR BIOMPHALARIA GLABRATA NUCLEAR RECEPTOR PROTEIN-LIGAND COMPLEX RETINOID RECEPTORTRANSCRIPTION-TRANSFERASE COMPLEX
Ref.: CRYSTAL STRUCTURE OF A NOVEL TETRAMERIC COMPLEX OF AGONIST-BOUND LIGAND-BINDING DOMAIN OF BIOMPHALARIA RETINOID X RECEPTOR. J.MOL.BIOL. V. 354 841 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 1XIU - REA C20 H28 O2 CC1=C(C(CC....
70% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 2P1T - 3TN C24 H28 O4 CC1(CCC(c2....
2 4OC7 - 2QO C18 H16 O3 C=CCc1cccc....
3 4RMD Kd = 35 nM 3SW C24 H34 O2 CC(C)CCC1=....
4 4K4J - 1O8 C20 H22 O2 C/C(=CC(=O....
5 4PP5 Kd = 18 nM 2W0 C21 H24 O2 Cc1cccc2c1....
6 4PP3 Kd = 15 nM 2VZ C21 H24 O2 Cc1ccc2c(c....
7 4POH Kd = 10 nM 2VR C21 H24 O2 Cc1cccc2c1....
8 2P1U - 4TN C25 H30 O4 CCOc1cc2c(....
9 1MV9 - HXA C22 H32 O2 CCC=C/CC=C....
10 4RFW Kd = 9 nM 3RB C21 H24 O2 C/C(=CC(=O....
11 3FUG - 2E3 C24 H28 O3 Cc1cc2c(cc....
12 3E94 - TBY C12 H27 Sn CCCC[Sn](C....
13 4POJ Kd = 8 nM 2VP C21 H24 O2 Cc1ccc2c(c....
14 4K6I - 9RA C24 H28 O2 Cc1cc2c(cc....
15 2P1V - 5TN C26 H32 O4 CCCOc1cc2c....
16 4ZSH Kd = 90 nM 4XW C20 H36 O2 C[C@H]1CC=....
17 3KWY - T9T C18 H15 Sn c1ccc(cc1)....
18 4RME Kd = 9 nM 3T2 C24 H36 O2 CC(C)CCC1=....
19 1MZN - BM6 C24 H27 O4 CC1(CCC(c2....
20 1MVC - BM6 C24 H27 O4 CC1(CCC(c2....
21 5LYQ - 7BE C26 H30 O4 CC1(CCC(c2....
22 1XIU - REA C20 H28 O2 CC1=C(C(CC....
23 4M8E Kd = 13 nM 29V C21 H26 O2 C[C@H]1CC/....
24 3OZJ - BGV C17 H20 O5 C[C@@H]1C[....
25 5EC9 - 5LO C26 H30 O3 CC1(CCC(c2....
26 3OAP Kd = 14 nM REA C20 H28 O2 CC1=C(C(CC....
27 4M8H Kd = 25 nM R4M C21 H26 O2 C[C@@H]1CC....
50% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 2P1T - 3TN C24 H28 O4 CC1(CCC(c2....
2 4OC7 - 2QO C18 H16 O3 C=CCc1cccc....
3 4RMD Kd = 35 nM 3SW C24 H34 O2 CC(C)CCC1=....
4 4K4J - 1O8 C20 H22 O2 C/C(=CC(=O....
5 4PP5 Kd = 18 nM 2W0 C21 H24 O2 Cc1cccc2c1....
6 4PP3 Kd = 15 nM 2VZ C21 H24 O2 Cc1ccc2c(c....
7 4POH Kd = 10 nM 2VR C21 H24 O2 Cc1cccc2c1....
8 2P1U - 4TN C25 H30 O4 CCOc1cc2c(....
9 1MV9 - HXA C22 H32 O2 CCC=C/CC=C....
10 4RFW Kd = 9 nM 3RB C21 H24 O2 C/C(=CC(=O....
11 3FUG - 2E3 C24 H28 O3 Cc1cc2c(cc....
12 3E94 - TBY C12 H27 Sn CCCC[Sn](C....
13 4POJ Kd = 8 nM 2VP C21 H24 O2 Cc1ccc2c(c....
14 4K6I - 9RA C24 H28 O2 Cc1cc2c(cc....
15 2P1V - 5TN C26 H32 O4 CCCOc1cc2c....
16 4ZSH Kd = 90 nM 4XW C20 H36 O2 C[C@H]1CC=....
17 3KWY - T9T C18 H15 Sn c1ccc(cc1)....
18 4RME Kd = 9 nM 3T2 C24 H36 O2 CC(C)CCC1=....
19 1MZN - BM6 C24 H27 O4 CC1(CCC(c2....
20 1MVC - BM6 C24 H27 O4 CC1(CCC(c2....
21 5LYQ - 7BE C26 H30 O4 CC1(CCC(c2....
22 1XIU - REA C20 H28 O2 CC1=C(C(CC....
23 4M8E Kd = 13 nM 29V C21 H26 O2 C[C@H]1CC/....
24 3OZJ - BGV C17 H20 O5 C[C@@H]1C[....
25 5EC9 - 5LO C26 H30 O3 CC1(CCC(c2....
26 3OAP Kd = 14 nM REA C20 H28 O2 CC1=C(C(CC....
27 4M8H Kd = 25 nM R4M C21 H26 O2 C[C@@H]1CC....
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 : 1XIU; Ligand: REA; Similar sites found: 558
This union binding pocket(no: 1) in the query (biounit: 1xiu.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1C1L GAL BGC 0.0005494 0.4733 None
2 2E1A MSE 0.0002782 0.45649 None
3 1UO5 PIH 0.006724 0.44833 None
4 1ULE GLA GAL NAG 0.006861 0.42985 None
5 1TUV VK3 0.01073 0.42764 None
6 1N9L FMN 0.0004372 0.41527 None
7 3KO0 TFP 0.009225 0.4116 None
8 2F01 BTN 0.01755 0.4101 None
9 3KP6 SAL 0.02087 0.4072 None
10 2F01 BTQ 0.0215 0.40647 None
11 2JAP J01 0.0157 0.40464 None
12 3LE7 ADE 0.02389 0.40337 None
13 1LO8 4CA 0.02396 0.40273 None
14 3D3W NAP 0.006329 0.40093 None
15 1O6B ADP 0.0145 0.40063 None
16 1GR0 NAD 0.007885 0.42855 0.869565
17 1LTH NAD 0.01895 0.40562 0.869565
18 2HGZ PBF 0.0001594 0.44963 1.30435
19 9LDB NAD 0.001425 0.42484 1.30435
20 2C5S AMP 0.003439 0.41308 1.30435
21 4JP3 CIT 0.0004251 0.40996 1.30435
22 9LDT NAD 0.004607 0.40603 1.30435
23 1IUP ALQ 0.000581 0.43774 1.73913
24 4NTD FAD 0.001217 0.43616 1.73913
25 3LTW HLZ 0.002987 0.43288 1.73913
26 4PLG OXM 0.002824 0.42116 1.73913
27 4PLG NAI 0.002824 0.42116 1.73913
28 1BDB NAD 0.02309 0.40803 1.73913
29 4A8H PUW 0.005026 0.40398 1.73913
30 3BL6 FMC 0.001796 0.40281 1.73913
31 2Q2Y ADP 0.02543 0.40166 1.73913
32 2Q2Y MKR 0.02429 0.40166 1.73913
33 3PMD 11A 0.0002862 0.40597 1.96078
34 4C0X AQN 0.004549 0.40623 1.97044
35 4INB 1F6 0.002395 0.40049 2.05479
36 2Q8H TF4 0.0005225 0.49286 2.17391
37 1I52 CTP 0.0002306 0.45247 2.17391
38 2G86 UMP 0.001316 0.44499 2.17391
39 3GEG NAD 0.0004674 0.43808 2.17391
40 3P0K FAD 0.0002721 0.43748 2.17391
41 2QDT I38 0.00013 0.43464 2.17391
42 4IXW IXW 0.00117 0.43171 2.17391
43 1RZM PEP 0.002355 0.42513 2.17391
44 2NX1 PEP 0.001312 0.4218 2.17391
45 1A59 COA 0.0005207 0.42134 2.17391
46 2NZ2 CIR 0.001868 0.41471 2.17391
47 2NX1 RP5 0.002118 0.41425 2.17391
48 1RZM E4P 0.01279 0.41068 2.17391
49 3IO3 ADP 0.001131 0.40974 2.17391
50 3U4C NDP 0.004741 0.40291 2.17391
51 3A1I UNU 0.004745 0.40274 2.17391
52 3L02 SN0 0.006244 0.40239 2.17391
53 3L02 CP 0.006244 0.40239 2.17391
54 1CSI OAA 0.01127 0.40033 2.17391
55 1CSI CMX 0.01127 0.40033 2.17391
56 3W54 RNB 0.01104 0.40003 2.17391
57 2Y7P SAL 0.009543 0.40011 2.29358
58 3FC4 EDO 0.0002945 0.47432 2.6087
59 1SB8 UD2 0.0003358 0.47115 2.6087
60 1T26 GBD 0.002115 0.46111 2.6087
61 1T26 NAI 0.002115 0.46111 2.6087
62 1SB8 NAD 0.0008091 0.45235 2.6087
63 4DEM YS4 0.00258 0.45217 2.6087
64 3I28 34N 0.001425 0.44178 2.6087
65 1XHL NDP 0.0006432 0.439 2.6087
66 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.009821 0.43602 2.6087
67 1JQI FAD 0.00132 0.43249 2.6087
68 2QS8 MET 0.0007205 0.42965 2.6087
69 4JK3 NAD 0.001089 0.42626 2.6087
70 1X1T NAD 0.008669 0.42569 2.6087
71 2YBQ SAH 0.0005657 0.42225 2.6087
72 1TV5 N8E 0.01286 0.41999 2.6087
73 2OHV NHL 0.00006219 0.41837 2.6087
74 1WVG APR 0.001416 0.41745 2.6087
75 1TV5 A26 0.0001082 0.41655 2.6087
76 2YBQ UP2 0.003812 0.41511 2.6087
77 1GV0 NAD 0.003553 0.40887 2.6087
78 4QEK GLC 0.01565 0.40863 2.6087
79 2WUF KEM 0.002233 0.40704 2.6087
80 1WVG CXY 0.002151 0.40586 2.6087
81 1JQI CAA 0.00272 0.40566 2.6087
82 3ICC NAP 0.005286 0.40508 2.6087
83 3A2Q ACA ACA 0.001411 0.40426 2.6087
84 4QED NAP 0.005028 0.40333 2.6087
85 3UXL CFI 0.04551 0.4023 2.6087
86 2IMP NAI 0.0396 0.40125 2.6087
87 3ZLM ANP 0.0007248 0.41639 2.65957
88 2PN6 GLN 0.004966 0.43569 2.66667
89 1SQL GUN 0.01975 0.4038 2.73973
90 4D7M TDC 0.003552 0.40462 2.76498
91 3S2Y FMN 0.001367 0.40689 3.01508
92 3MPI GRA 0.0007062 0.45921 3.04348
93 4HA6 FAD 0.0004864 0.45695 3.04348
94 4BJZ P3A 0.001553 0.45653 3.04348
95 4BJZ FAD 0.001553 0.45653 3.04348
96 2NVK FAD 0.0007224 0.44817 3.04348
97 2C7G FAD 0.001842 0.44425 3.04348
98 1Z44 NPO 0.01625 0.4346 3.04348
99 1RP0 AHZ 0.005522 0.43257 3.04348
100 1G0N NDP 0.001585 0.4318 3.04348
101 1FL2 FAD 0.001809 0.43179 3.04348
102 4DYO SD4 0.001246 0.43061 3.04348
103 2Q2V NAD 0.001213 0.43012 3.04348
104 2V6O FAD 0.007804 0.42873 3.04348
105 2C7G ODP 0.004343 0.42858 3.04348
106 1Y42 TYR 0.002348 0.42518 3.04348
107 1G0N PHH 0.003396 0.42232 3.04348
108 3GE7 AFQ 0.001996 0.42206 3.04348
109 1Q3Q ANP 0.00743 0.42071 3.04348
110 3IOI 1GW 0.002551 0.41682 3.04348
111 1REO FAD 0.004279 0.41643 3.04348
112 4C0C WVH 0.005828 0.41608 3.04348
113 4OB6 S2T 0.0008741 0.4159 3.04348
114 4CKU P2F 0.008348 0.41256 3.04348
115 1OAA OAA 0.006903 0.41231 3.04348
116 4I9A NCN 0.002688 0.41193 3.04348
117 2Y7G AAE 0.001141 0.41182 3.04348
118 2HEK GDP 0.0002203 0.41169 3.04348
119 4DQ2 BTX 0.002912 0.41066 3.04348
120 3OIG NAD 0.01734 0.40719 3.04348
121 3SJ7 NDP 0.004011 0.40557 3.04348
122 1YS4 NAP 0.002193 0.40556 3.04348
123 2GGH NLQ 0.008586 0.40283 3.04348
124 2BNE U5P 0.006961 0.40242 3.04348
125 1RM4 NDP 0.02402 0.40143 3.04348
126 3HF3 FMN 0.002612 0.40107 3.04348
127 3OIG IMJ 0.007792 0.4 3.04348
128 1R18 SAH 0.0006652 0.42381 3.0837
129 3ZOD FMN 0.003902 0.40314 3.14136
130 3ZOD HQE 0.003902 0.40314 3.14136
131 2VEZ ACO 0.0008929 0.42941 3.15789
132 2VEZ G6P 0.003642 0.40847 3.15789
133 3WBF NAP 0.0001014 0.46389 3.47826
134 2BLE 5GP 0.001365 0.4518 3.47826
135 3WBF API 0.0006338 0.44061 3.47826
136 2RHW C0E 0.003245 0.43807 3.47826
137 3M31 FAD 0.0003869 0.43403 3.47826
138 1H0C AOA 0.004003 0.43383 3.47826
139 4KCT PYR 0.001065 0.43333 3.47826
140 3P3N AKG 0.003085 0.43227 3.47826
141 1ZK4 AC0 0.01008 0.42629 3.47826
142 1ZK4 NAP 0.01008 0.42629 3.47826
143 3DG6 MUC 0.0001749 0.42542 3.47826
144 1O7N IND 0.0007458 0.42206 3.47826
145 2DTX BMA 0.00362 0.41921 3.47826
146 1MVQ MMA 0.002632 0.41501 3.47826
147 2ZB3 NDP 0.002424 0.41356 3.47826
148 4IMG NGF 0.001391 0.40869 3.47826
149 1L2T ATP 0.002066 0.40823 3.47826
150 2H6T IVA VAL VAL STA ALA STA 0.001148 0.40733 3.47826
151 2ZCQ B65 0.02411 0.40639 3.47826
152 2WA4 069 0.002884 0.40634 3.47826
153 3HU3 AGS 0.0225 0.40384 3.47826
154 3RHZ UDP 0.001707 0.40357 3.47826
155 4NES UDP 0.001558 0.40279 3.47826
156 3QVL 5HY 0.01704 0.40263 3.47826
157 1PFK ADP 0.001136 0.40235 3.47826
158 1IM8 SAI 0.002774 0.40016 3.47826
159 2VBQ BSJ 0.003098 0.41617 3.63636
160 4FGC PQ0 0.00006638 0.40577 3.63636
161 4EKV BTN 0.005938 0.40441 3.77358
162 2PR5 FMN 0.0004597 0.41477 3.78788
163 3ZPG 5GP 0.0006984 0.4866 3.91304
164 1YBH FAD 0.0002518 0.46341 3.91304
165 4COQ SAN 0.00103 0.45326 3.91304
166 1M5B BN1 0.001422 0.44955 3.91304
167 2F2U M77 0.0004126 0.44359 3.91304
168 1TDF FAD 0.001332 0.44293 3.91304
169 1TDF NAP 0.003954 0.43978 3.91304
170 4FR3 LYS ARG ARG LYS SEP VAL 0.003967 0.43911 3.91304
171 4JWX 1N4 0.00111 0.43855 3.91304
172 1N6B DMZ 0.001027 0.4378 3.91304
173 3IL6 B83 0.000332 0.43029 3.91304
174 2C31 TZD 0.009505 0.42461 3.91304
175 2C31 ADP 0.01065 0.42199 3.91304
176 1MZV AMP 0.001727 0.41966 3.91304
177 4FR3 0V4 0.01245 0.41861 3.91304
178 3CXO 3LR 0.001809 0.41821 3.91304
179 1F74 NAY 0.000538 0.41479 3.91304
180 3ULK NDP 0.001363 0.41283 3.91304
181 1T8U UAP SGN IDS SGN 0.005035 0.4127 3.91304
182 2VL8 CTS 0.00486 0.41248 3.91304
183 2VL8 UDP 0.004446 0.41026 3.91304
184 3DER ALA LYS 0.001724 0.40739 3.91304
185 2AG8 NAP 0.002055 0.40471 3.91304
186 3ZEI AWH 0.004392 0.40413 3.91304
187 2YB9 HA0 0.004827 0.40398 3.91304
188 3QO8 SSA 0.001061 0.40376 3.91304
189 2HW1 ANP 0.00219 0.40375 3.91304
190 1YBH P22 0.0004119 0.40052 3.91304
191 2YC5 6BC 0.00233 0.42201 3.94737
192 4L6C 0BT 0.0005783 0.42595 3.9604
193 3F8C HT1 0.001233 0.44299 3.96825
194 1BGQ RDC 0.0009965 0.42456 4
195 4BAS GNP 0.0002843 0.43477 4.0201
196 1VR0 3SL 0.0001735 0.40607 4.04858
197 3UEC ALA ARG TPO LYS 0.0003745 0.48091 4.10959
198 1JUV NDP 0.003314 0.40571 4.14508
199 3H86 AP5 0.005415 0.4236 4.16667
200 4IAE 1DX 0.001686 0.44119 4.2328
201 1Q11 TYE 0.00004367 0.49626 4.34783
202 3QV9 QV7 0.0001421 0.48288 4.34783
203 2EB5 OXL 0.001841 0.44215 4.34783
204 1ECC PCP 0.0002542 0.4405 4.34783
205 1QF5 RPL 0.001937 0.43749 4.34783
206 1QF5 GDP 0.001937 0.43749 4.34783
207 2ZX7 ZX7 0.0006469 0.43676 4.34783
208 3LZW NAP 0.003583 0.43417 4.34783
209 2ALG DAO 0.0002975 0.43408 4.34783
210 2ALG HP6 0.0002975 0.43408 4.34783
211 3SHR CMP 0.0007414 0.4338 4.34783
212 1P9B IMO 0.0004561 0.43334 4.34783
213 3RO7 TDR 0.0006875 0.432 4.34783
214 4IZC 1GZ 0.003254 0.42993 4.34783
215 1R37 NAD 0.001528 0.42766 4.34783
216 2XCG XCG 0.001178 0.42648 4.34783
217 1GSA ADP 0.003715 0.42638 4.34783
218 4R33 SAH 0.001773 0.42398 4.34783
219 4R33 TRP 0.001773 0.42398 4.34783
220 2V7T SAH 0.01487 0.42313 4.34783
221 2TPL HPP 0.00113 0.42097 4.34783
222 1N1G BCP 0.002797 0.41903 4.34783
223 2EWM NAD 0.0022 0.41788 4.34783
224 4QN7 G39 0.003983 0.41325 4.34783
225 2R7K AMZ 0.03335 0.41027 4.34783
226 2R7K ACP 0.03335 0.41027 4.34783
227 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.0109 0.4092 4.34783
228 3MB5 SAM 0.01177 0.40827 4.34783
229 1GSA GSH 0.007923 0.40814 4.34783
230 1WVC CTP 0.03135 0.40747 4.34783
231 1JIL 485 0.001622 0.40637 4.34783
232 1XVV CCQ 0.008463 0.4051 4.34783
233 2OYS FMN 0.002331 0.4028 4.34783
234 1P9B GDP 0.001612 0.40229 4.34783
235 4B7J G39 0.007193 0.4013 4.34783
236 2W8Q SIN 0.00239 0.40052 4.34783
237 1I2B USQ 0.000979 0.45441 4.45545
238 1I2B UPG 0.000979 0.45441 4.45545
239 1I2B NAD 0.000979 0.45441 4.45545
240 2YGN PCF 0.001929 0.41719 4.48718
241 3PNL ADP 0.002668 0.40255 4.73934
242 1DR1 NAP 0.0005073 0.4494 4.7619
243 1DR1 HBI 0.0005073 0.4494 4.7619
244 4LCQ URQ 0.0006195 0.4352 4.78261
245 1ZK7 FAD 0.002159 0.4338 4.78261
246 1ME8 RVP 0.006964 0.43302 4.78261
247 1LDM NAD 0.005444 0.43028 4.78261
248 1I7L ATP 0.0005227 0.4294 4.78261
249 4AF0 IMP 0.003291 0.42845 4.78261
250 2PT9 S4M 0.0009476 0.42371 4.78261
251 2PT9 2MH 0.002337 0.42075 4.78261
252 4GQB 0XU 0.006978 0.41883 4.78261
253 1FP2 HMO 0.000485 0.41538 4.78261
254 3ZS7 ATP 0.001226 0.41446 4.78261
255 3PFG TLO 0.006078 0.4116 4.78261
256 3PFG SAM 0.006078 0.4116 4.78261
257 1R6D NAD 0.01235 0.40968 4.78261
258 1R6D DAU 0.01257 0.40865 4.78261
259 4G1V FAD 0.003205 0.40771 4.78261
260 4E28 0MZ 0.008557 0.40718 4.78261
261 3FPZ AHZ 0.0347 0.40369 4.78261
262 4TSK NDP 0.02 0.40336 4.78261
263 1K6M AGS 0.0005312 0.40005 4.78261
264 3F81 STT 0.004504 0.44641 4.91803
265 4TMK T5A 0.01676 0.42806 5.16432
266 1RYD NDP 0.00437 0.41397 5.16796
267 1Y9Q MED 0.00143 0.44698 5.20833
268 2J07 HDF 0.0003857 0.46595 5.21739
269 2J07 FAD 0.0003857 0.46595 5.21739
270 1WNG SAH 0.0001094 0.44703 5.21739
271 3T31 DCQ 0.002947 0.43685 5.21739
272 3T31 FAD 0.002697 0.43685 5.21739
273 4KQI NIO 0.001032 0.43001 5.21739
274 4KQI RBZ 0.001032 0.43001 5.21739
275 3FC2 IBI 0.001035 0.42854 5.21739
276 4CS4 AXZ 0.004963 0.41787 5.21739
277 3UH0 TSB 0.001118 0.4177 5.21739
278 2Z9V PXM 0.005472 0.41007 5.21739
279 2B4Q NAP 0.005656 0.40145 5.21739
280 3KU0 ADE 0.02549 0.40108 5.21739
281 3O03 NAP 0.004582 0.40062 5.21739
282 4CS4 ANP 0.009977 0.40035 5.21739
283 3T1A 5MA 0.002137 0.4002 5.21739
284 1T0I FMN 0.0003273 0.42828 5.2356
285 1UCN ADP 0.0004685 0.41224 5.26316
286 4R29 SAM 0.01094 0.40807 5.35714
287 2D0V PQQ 0.001993 0.40326 5.55556
288 3E5H GNP 0.0009087 0.42266 5.61798
289 3BY8 MLT 0.001875 0.44891 5.6338
290 4OYA 1VE 0.001724 0.46688 5.65217
291 3B9Z CO2 0.004287 0.45264 5.65217
292 4RJK PYR 0.002581 0.45009 5.65217
293 1G8S MET 0.001511 0.44593 5.65217
294 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0003831 0.43225 5.65217
295 4CMF PXG 0.003078 0.43131 5.65217
296 2X61 NGA GAL SIA 0.004199 0.43067 5.65217
297 2A0W DIH 0.001569 0.42659 5.65217
298 5YAS FAC 0.00008178 0.42506 5.65217
299 2X61 CH 0.003198 0.42127 5.65217
300 1F1V DHY 0.002535 0.41835 5.65217
301 2Q1S NAI 0.006215 0.41409 5.65217
302 2QJN KDG 0.0004821 0.41174 5.65217
303 2AE2 NAP 0.007618 0.40783 5.65217
304 2AE2 PTO 0.007618 0.40783 5.65217
305 4RJK TPP 0.00003004 0.40512 5.65217
306 2VJJ RAM GLC GAL NAG NAG GLC 0.01469 0.40406 5.65217
307 4IOK ADP 0.003921 0.40307 5.65217
308 1YOA FMN 0.04473 0.41031 5.66038
309 1L3I SAH 0.001639 0.41676 5.72917
310 1QY1 PRZ 0.001694 0.40765 5.74713
311 2HV8 GTP 0.0002922 0.44024 5.81395
312 1V7R CIT 0.004281 0.45631 5.91398
313 3R35 4CO 0.001419 0.4249 5.96026
314 2Q37 3AL 0.002766 0.42808 6.07735
315 3F3E LEU 0.0002208 0.46308 6.08696
316 1I0Z OXM 0.004147 0.44819 6.08696
317 4LXH C1E 0.0001565 0.4369 6.08696
318 1D6H COA 0.001805 0.4349 6.08696
319 2CSN CKI 0.0007729 0.42689 6.08696
320 1R6W 164 0.0004447 0.41705 6.08696
321 4KCF FMN 0.0005294 0.41416 6.08696
322 4N02 FNR 0.009359 0.41375 6.08696
323 3PLN U5P 0.004744 0.41262 6.08696
324 1EDO NAP 0.01837 0.41104 6.08696
325 1UMP SQA 0.002329 0.40969 6.08696
326 1R27 MGD 0.005884 0.40798 6.08696
327 4DEC 3PG 0.003224 0.40614 6.08696
328 4DEC UDP 0.003224 0.40614 6.08696
329 3I0O SMI 0.009503 0.40523 6.08696
330 2PP3 LGT 0.002988 0.40132 6.08696
331 1VQ2 DDN 0.0002421 0.43043 6.21762
332 1F5F DHT 0.001358 0.40484 6.34146
333 1O9U ADZ 0.0006659 0.48763 6.52174
334 3SFI 3SF 0.0002524 0.46456 6.52174
335 4NM5 ADP 0.00009765 0.45316 6.52174
336 3VPD ANP 0.00009786 0.45096 6.52174
337 1SG4 CO8 0.0004323 0.43766 6.52174
338 2XVE FAD 0.007509 0.42327 6.52174
339 2XVF FAD 0.002484 0.42327 6.52174
340 4MP8 MLI 0.002799 0.4213 6.52174
341 4MP8 NAD 0.002799 0.4213 6.52174
342 2P2V CSF 0.007462 0.41611 6.52174
343 1YGC 905 0.001103 0.41219 6.52174
344 2NLI FMN 0.009871 0.41129 6.52174
345 2NLI LAC 0.009871 0.41129 6.52174
346 3FS8 ACO 0.03071 0.40784 6.52174
347 1KOL NAD 0.006269 0.40694 6.52174
348 3JYN NDP 0.005185 0.40661 6.52174
349 3FS8 TDR 0.03086 0.40408 6.52174
350 4URN NOV 0.0225 0.40108 6.66667
351 3NCQ ATP 0.001376 0.41082 6.72269
352 5V4R MGT 0.04632 0.41295 6.79012
353 4F8L GAL 0.001589 0.48977 6.95652
354 2P1O IHP 0.0004416 0.44211 6.95652
355 2P1O NLA 0.0004416 0.44211 6.95652
356 1NVV GNP 0.000703 0.42837 6.95652
357 1SQ5 PAU 0.002195 0.42638 6.95652
358 4OPC PGT 0.04374 0.42225 6.95652
359 2RDT 2RD 0.02841 0.40206 6.95652
360 1SQ5 ADP 0.003806 0.40184 6.95652
361 2P1M IHP 0.00399 0.40128 6.95652
362 2RDT FMN 0.02189 0.40041 6.95652
363 3QDT A2G GAL 0.002462 0.45107 6.99301
364 3SCM LGN 0.0197 0.41848 7.07071
365 2HJ3 FAD 0.001527 0.40923 7.2
366 1KDK DHT 0.001381 0.41264 7.34463
367 2BJK NAD 0.003314 0.43209 7.3913
368 1V2X SAM 0.0005393 0.42297 7.3913
369 3BAZ NAP 0.001516 0.41638 7.3913
370 4O1M NAD 0.003336 0.40987 7.3913
371 1HDR NAD 0.01336 0.4053 7.3913
372 3D2Y AH0 ALA FGA LYS 0.001635 0.40421 7.3913
373 1VDC FAD 0.001255 0.44488 7.82609
374 2QCX PF1 0.007338 0.42796 7.82609
375 3NKS FAD 0.002145 0.42568 7.82609
376 1TUF AZ1 0.001878 0.4114 7.82609
377 2AMV BIN 0.01103 0.40939 7.82609
378 3SQG TP7 0.0009811 0.40487 7.82609
379 2R5T ANP 0.000527 0.40005 7.82609
380 2YPO PHE 0.00005881 0.47423 8.26087
381 1A27 NAP 0.0004193 0.44294 8.26087
382 3TDC 0EU 0.01445 0.43907 8.26087
383 1BUC CAA 0.0007632 0.42536 8.26087
384 1QW9 KHP 0.001102 0.42135 8.26087
385 1K97 ASP 0.04287 0.40073 8.26087
386 1K97 CIR 0.04287 0.40073 8.26087
387 1BTN I3P 0.001178 0.50047 8.49057
388 1SS4 CIT 0.004712 0.48294 8.49673
389 1SS4 GSH 0.0263 0.42741 8.49673
390 1LNX URI 0.004486 0.41362 8.64198
391 1NZY BCA 0.0003124 0.44443 8.69565
392 1NF8 BOG 0.01149 0.42571 8.69565
393 1H6C NDP 0.002173 0.42547 8.69565
394 1Z45 NAD 0.001379 0.42396 8.69565
395 1H6C SIN 0.003325 0.42062 8.69565
396 4MZ7 DGT 0.002043 0.4177 8.69565
397 3NYQ AMP 0.002694 0.41721 8.69565
398 1V35 NAI 0.004749 0.41671 8.69565
399 2RGH FAD 0.00495 0.41503 8.69565
400 3NYQ MCA 0.006388 0.40202 8.69565
401 1P1M MET 0.0002303 0.40174 8.69565
402 3AHC TPP 0.00609 0.40026 8.69565
403 1NNU TCT 0.01955 0.41521 8.73362
404 1NNU NAD 0.03002 0.40732 8.73362
405 3KO8 NAD 0.001876 0.42177 9.13043
406 2PUL ACP 0.0003475 0.42028 9.13043
407 4MC3 28U 0.009529 0.42005 9.13043
408 4A3R CIT 0.00147 0.42952 9.56522
409 3FXU TSU 0.001054 0.42036 9.56522
410 4W6Z 8ID 0.004208 0.41235 9.56522
411 2H6B 3C4 0.01835 0.4035 9.56522
412 4M37 SAH 0.001994 0.40326 9.56522
413 4USQ FAD 0.007062 0.40276 9.56522
414 1MVN PCO 0.02051 0.40258 9.56938
415 1MVN FMN 0.01023 0.40095 9.56938
416 2XK9 XK9 0.0002864 0.45485 10
417 4K30 NLG 0.009585 0.40004 10
418 4LHM AZZ 0.001842 0.43558 10.4348
419 2IXB NAD 0.0009945 0.4306 10.4348
420 2IXB A2G 0.003138 0.42052 10.4348
421 2Z9I GLY ALA THR VAL 0.02027 0.41216 10.4348
422 1SNY NAP 0.002462 0.41037 10.4348
423 1WUR 8DG 0.001112 0.41595 10.4545
424 1FIQ SAL 0.0007684 0.43614 10.5023
425 1FIQ MTE 0.0006425 0.43614 10.5023
426 1FIQ FAD 0.002345 0.42069 10.5023
427 4F4S EFO 0.0006321 0.4486 10.5263
428 1S8F GDP 0.000642 0.4016 10.7345
429 3GUZ PAF 0.0195 0.40686 10.7955
430 2GJ3 FAD 0.006313 0.40033 10.8333
431 2XDQ MGX 0.001704 0.46737 10.8696
432 3PVT 3HC 0.002079 0.4262 10.8696
433 1UOU CMU 0.0003122 0.4163 10.8696
434 2NCD ADP 0.006363 0.41267 10.8696
435 2BII MTV 0.001909 0.40945 10.8696
436 1KBI FMN 0.004069 0.40248 10.8696
437 1KBI PYR 0.004069 0.40248 10.8696
438 3UR0 SVR 0.01455 0.40057 10.8696
439 2VWA PTY 0.02232 0.40646 10.8911
440 1H82 GZZ 0.001473 0.45122 11.3043
441 3OND ADN 0.001305 0.44421 11.3043
442 3OND NAD 0.001305 0.44421 11.3043
443 1TIW FAD 0.001096 0.4379 11.3043
444 1TIW TFB 0.001096 0.4379 11.3043
445 1CKM GTP 0.0008602 0.43701 11.3043
446 4O8A FAD 0.000813 0.43383 11.3043
447 1H82 FAD 0.006154 0.424 11.3043
448 3ZV6 4HB 0.004069 0.42027 11.3043
449 3ZV6 NAD 0.003838 0.42027 11.3043
450 5OCA 9QZ 0.02148 0.42906 11.3445
451 2AQJ FAD 0.001347 0.45204 11.7391
452 2AQJ TRP 0.001289 0.45204 11.7391
453 4UAL 3FV 0.0002424 0.43041 11.7391
454 2PWY SAH 0.002553 0.40497 11.7391
455 1JCM 137 0.001639 0.41978 12.1739
456 3D2M COA 0.02625 0.41601 12.1739
457 1XX4 BAM 0.01337 0.41572 12.1739
458 2FR6 CTN 0.000242 0.42351 12.3288
459 1YRX FMN 0.0004445 0.4313 12.3967
460 3S7O LBV 0.0007978 0.43413 12.6087
461 2YVF NAD 0.004702 0.43153 12.6087
462 1EP2 ORO 0.00144 0.42862 12.6087
463 1EP2 FMN 0.001477 0.41994 12.6087
464 2YVF FAD 0.01122 0.41553 12.6087
465 1ZFJ IMP 0.03307 0.41084 12.6087
466 1EP2 FAD 0.00196 0.40905 12.6087
467 3TKA SAM 0.001632 0.40822 12.6087
468 1QPB PYM 0.001138 0.42247 13.0435
469 1QPB TPP 0.002422 0.41063 13.0435
470 1LVL FAD 0.0007153 0.45047 13.3333
471 2P8O BVA 0.001036 0.40885 13.4021
472 2QLX RM4 0.0006661 0.46947 13.8889
473 4P6X HCY 0.000009859 0.53135 13.913
474 1EYE PMM 0.002484 0.40876 14.3478
475 1YB5 NAP 0.006375 0.40443 14.3478
476 1XVB 3BR 0.001263 0.45309 14.7059
477 3KJQ B94 0.001265 0.41971 14.7368
478 4B4D FAD 0.0006416 0.42241 14.7826
479 1FDJ 2FP 0.0002646 0.41382 14.7826
480 4C12 ADP 0.01685 0.40356 14.7826
481 1EXB NDP 0.003255 0.44327 15.2174
482 4NAT ADP 0.001631 0.46052 15.625
483 4NAT 2W5 0.0003535 0.45534 15.625
484 1DTL BEP 0.00245 0.43447 16.1491
485 3RF4 FUN 0.0008258 0.44383 16.3793
486 1NHZ 486 0.00002176 0.52092 16.9565
487 3TL1 JRO 0.01165 0.41562 18.239
488 3RY9 1CA 0.0000007312 0.57519 18.2609
489 3GN8 DEX 0.000003775 0.5227 18.2609
490 4E2J MOF 0.000001732 0.5183 18.2609
491 4KQL 1SG 0.00301 0.43939 18.2609
492 5UFS 1TA 0.007506 0.41521 18.2609
493 4FDV 0UK 0.006715 0.40121 18.6603
494 2V5E SCR 0.01894 0.42264 18.8119
495 2OD9 A1R NCA 0.004181 0.40627 19.5652
496 4AT0 FAD 0.006894 0.41583 20
497 3WE0 FAD 0.006686 0.41285 20.4348
498 1PEA ACM 0.002365 0.4519 21.3043
499 1QO0 BMD 0.002092 0.4397 21.3043
500 1DLJ UGA 0.002074 0.43808 21.3043
501 1DLJ NAI 0.01339 0.40604 21.3043
502 3ZZL TRP 0.006153 0.4104 21.4286
503 4GYW UDP 0.0006133 0.43976 21.7391
504 4NE2 SH2 0.003607 0.41487 24.7826
505 4NE2 ADP 0.005418 0.40589 24.7826
506 3WO0 ADP 0.00263 0.42119 26.087
507 3WO0 ALA 0.00263 0.42119 26.087
508 2A1L PCW 0.008862 0.4274 26.6667
509 3HYW DCQ 0.01235 0.41665 26.6667
510 4P6W MOF 0.000006031 0.49785 29.1304
511 1EZV SMA 0.0003959 0.43904 29.7297
512 4LSJ LSJ 0.000002414 0.56098 31.7391
513 1M2Z DEX 0.000003988 0.52134 32.1739
514 4G87 UD1 0.002454 0.4321 33.3333
515 1RYI GOA 0.00267 0.42831 33.3333
516 1U7Z PMT 0.001856 0.42324 33.3333
517 4QDF 30Q 0.001572 0.41818 33.3333
518 1HV9 UD1 0.004152 0.40897 33.3333
519 1RYI FAD 0.008239 0.40748 33.3333
520 1HFS L04 0.005311 0.405 33.3333
521 1NQ7 ARL 0.003352 0.40394 33.4783
522 1N46 PFA 0.004865 0.42086 33.913
523 2Q1H AS4 0.000000249 0.59879 34.3478
524 1SR7 MOF 0.000000924 0.60011 35.2174
525 4OAR 2S0 0.000003153 0.55319 35.2174
526 1DB1 VDX 0.002854 0.43987 36.5217
527 4UDB CV7 0.002866 0.42742 37.8261
528 3GYT DL4 0.003691 0.42309 37.8261
529 2AX9 BHM 0.00001011 0.56462 38.2609
530 3V49 PK0 0.00005258 0.50801 38.2609
531 1T0S BML 0.0008666 0.47265 40
532 3Q9T FAY 0.001878 0.429 40
533 2EJU SAH 0.0003638 0.4267 40
534 1N83 CLR 0.003496 0.42579 40
535 1WDA BAG 0.002116 0.42147 40
536 2QA1 FAD 0.003206 0.41679 40
537 1Q0H NDP 0.007976 0.41334 40
538 1B9I PXG 0.001967 0.40899 40
539 1C3V NDP 0.004547 0.40624 40
540 1Q0H FOM 0.01284 0.40355 40
541 1SOW NAD 0.005813 0.40354 40
542 3ZRR PXG 0.001983 0.40334 40
543 3L0E G58 0.0009665 0.45433 40.8696
544 3SP6 IL2 0.004143 0.41362 40.8696
545 3KFC 61X 0.0002563 0.48852 41.3043
546 3KMZ EQO 0.0002401 0.48187 41.7391
547 1FCZ 156 0.00008085 0.49757 42.6087
548 4J26 EST 0.0000001024 0.63908 43.913
549 1XAP TTB 0.00004704 0.5014 44.7826
550 3S9K CIT 0.0007543 0.49864 46.6667
551 1C0I BE2 0.0004006 0.46232 46.6667
552 1C0I FAD 0.0004006 0.46232 46.6667
553 3V1U NAD 0.003557 0.40307 46.6667
554 4QCK ASD 0.00359 0.40293 46.6667
555 2CKM AA7 0.01106 0.40254 46.6667
556 1MDZ DCS 0.007774 0.40004 46.6667
557 2BJ4 OHT 0.0000002344 0.603 47.8261
558 1ZDT PEF 0.00004599 0.44363 48.2609
559 1YP0 PEF 0.00005534 0.50283 50
560 4QJR PIZ 0.0001244 0.43043 50
Pocket No.: 2; Query (leader) PDB : 1XIU; 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: 1xiu.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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