Receptor
PDB id Resolution Class Description Source Keywords
1II5 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE GLUR0 LIGAND BINDING CORE COMPLEX W GLUTAMATE SYNECHOCYSTIS SP. PCC 6803 SUBSTR. KAZORGANISM_TAXID: 1111708 MEMBRANE PROTEIN
Ref.: MECHANISMS FOR LIGAND BINDING TO GLUR0 ION CHANNELS STRUCTURES OF THE GLUTAMATE AND SERINE COMPLEXES AN CLOSED APO STATE. J.MOL.BIOL. V. 311 815 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU A:999;
Valid;
none;
Kd = 240 nM
147.129 C5 H9 N O4 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1II5 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE GLUR0 LIGAND BINDING CORE COMPLEX W GLUTAMATE SYNECHOCYSTIS SP. PCC 6803 SUBSTR. KAZORGANISM_TAXID: 1111708 MEMBRANE PROTEIN
Ref.: MECHANISMS FOR LIGAND BINDING TO GLUR0 ION CHANNELS STRUCTURES OF THE GLUTAMATE AND SERINE COMPLEXES AN CLOSED APO STATE. J.MOL.BIOL. V. 311 815 2001
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 1II5 Kd = 240 nM GLU C5 H9 N O4 C(CC(=O)O)....
2 1IIT - SER C3 H7 N O3 C([C@@H](C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 1II5 Kd = 240 nM GLU C5 H9 N O4 C(CC(=O)O)....
2 1IIT - SER C3 H7 N O3 C([C@@H](C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1II5 Kd = 240 nM GLU C5 H9 N O4 C(CC(=O)O)....
2 1IIT - SER C3 H7 N O3 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU 1 1
2 DGL 1 1
3 GGL 1 1
4 GLN 0.62963 0.821429
5 DGN 0.62963 0.821429
6 ONL 0.586207 0.821429
7 UN1 0.566667 0.96
8 11C 0.566667 0.96
9 HCS 0.555556 0.714286
10 HGA 0.53125 0.666667
11 NPI 0.53125 0.923077
12 HSE 0.518519 0.758621
13 DAB 0.518519 0.666667
14 MEQ 0.515152 0.71875
15 3O3 0.513514 0.727273
16 API 0.5 0.884615
17 NVA 0.5 0.740741
18 ASP 0.481481 0.846154
19 DAS 0.481481 0.846154
20 TNA 0.463415 0.685714
21 ABA 0.461538 0.692308
22 DSN 0.461538 0.655172
23 DBB 0.461538 0.692308
24 SER 0.461538 0.655172
25 RGP 0.459459 0.648649
26 ORN 0.451613 0.689655
27 HOZ 0.451613 0.666667
28 AE5 0.447368 0.727273
29 DCY 0.444444 0.642857
30 CYS 0.444444 0.642857
31 C2N 0.444444 0.666667
32 NLE 0.4375 0.689655
33 S2G 0.433333 0.653846
34 2HG 0.433333 0.653846
35 ASN 0.428571 0.677419
36 26P 0.428571 0.857143
37 3GC 0.425 0.705882
38 MET 0.424242 0.625
39 MSE 0.424242 0.606061
40 DLY 0.424242 0.666667
41 MED 0.424242 0.625
42 BIX 0.418605 0.631579
43 MF3 0.416667 0.625
44 CBH 0.414634 0.774194
45 LYS 0.411765 0.645161
46 DHH 0.411765 0.851852
47 SHR 0.409091 0.774194
48 2NP 0.405405 0.71875
49 LEU 0.4 0.642857
50 5OY 0.4 0.648649
51 AS2 0.4 0.84
52 2JJ 0.4 0.648649
53 ONH 0.4 0.611111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1II5; Ligand: GLU; Similar sites found: 267
This union binding pocket(no: 1) in the query (biounit: 1ii5.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.001333 0.48283 None
2 1H8G CHT 0.001247 0.47638 None
3 4BAS GNP 0.002064 0.43951 None
4 3UEC ALA ARG TPO LYS 0.002762 0.42294 None
5 1PTR PRB 0.003395 0.41905 None
6 1Y7I SAL 0.0008529 0.41975 0.858369
7 1R37 NAD 0.006643 0.43438 1.28755
8 1I0Z OXM 0.01028 0.4117 1.28755
9 1R37 ETX 0.003302 0.40023 1.28755
10 1UJ5 5RP 0.0004534 0.40354 1.32159
11 3MBG FAD 0.006702 0.42377 1.43885
12 2VQ5 LDP 0.002911 0.43761 1.49254
13 3H86 AP5 0.007698 0.44277 1.5625
14 2IYG FMN 0.0005556 0.40247 1.6129
15 1QB7 ADE 0.0000939 0.43295 1.71674
16 1UQX MMA 0.005253 0.42692 1.76991
17 3B9Z CO2 0.006226 0.4014 1.80412
18 2YD6 FLC 0.0001036 0.5604 1.88679
19 2BZ1 TAU 0.007392 0.43613 2.04082
20 3QDY CBS 0.0002625 0.46716 2.0979
21 3QDY A2G GAL 0.002457 0.43271 2.0979
22 3QDW NDG 0.001666 0.43244 2.0979
23 3QDV NDG 0.001704 0.43202 2.0979
24 3QDW A2G 0.01255 0.40759 2.0979
25 3QDX CBS 0.001718 0.4002 2.0979
26 1H9G COA MYR 0.001482 0.4544 2.14592
27 1M1B SPV 0.001452 0.42101 2.14592
28 1Z42 HBA 0.0173 0.41938 2.14592
29 4LWA Q13 0.0194 0.41799 2.14592
30 2VDJ HSE 0.006404 0.41391 2.14592
31 2FWP CIT 0.003174 0.44531 2.18579
32 2FWP ICR 0.02369 0.41001 2.18579
33 1UWZ THU 0.00853 0.40521 2.20588
34 3Q9T FAY 0.004951 0.44467 2.57511
35 4PO2 ASN ARG LEU LEU LEU THR GLY 0.001758 0.44439 2.57511
36 1MZV AMP 0.00007483 0.4361 2.57511
37 4W6Z ETF 0.003502 0.43382 2.57511
38 2DWU DGL 0.0005362 0.41868 2.57511
39 1O9U ADZ 0.008317 0.41607 2.57511
40 3TKA CTN 0.01022 0.41524 2.57511
41 1KHT AMP 0.005453 0.40381 2.60417
42 4RJK PYR 0.005551 0.44261 2.62697
43 4UOH ADP 0.003057 0.41409 2.64901
44 2XI7 XI7 0.01153 0.42604 2.71739
45 2OFD NGA 0.000526 0.44606 2.8169
46 1PEA ACM 0.0001426 0.48848 3.00429
47 1X54 4AD 0.003431 0.43508 3.00429
48 1SAZ ACP 0.02483 0.43465 3.00429
49 4IS0 GDS 0.003146 0.42569 3.00429
50 4LSJ LSJ 0.005645 0.42056 3.00429
51 4IS0 1R4 0.006667 0.41914 3.00429
52 2YIV YIV 0.005507 0.41687 3.00429
53 2YIV NBN 0.004534 0.41361 3.00429
54 4HZO COA 0.001248 0.41338 3.00429
55 4NES UDP 0.008224 0.40791 3.00429
56 2WE5 ADP 0.006954 0.4068 3.00429
57 4M51 BEZ 0.009354 0.40646 3.00429
58 2NVK NAP 0.002244 0.4038 3.00429
59 4G10 GSH 0.01034 0.40167 3.00429
60 3A1I UNU 0.001055 0.4015 3.00429
61 4CCO OGA 0.00262 0.40096 3.00429
62 1TRD PGH 0.0006615 0.40053 3.00429
63 3IOI 1GW 0.03274 0.40032 3.00429
64 4DVE BTN 0.0004489 0.45117 3.0303
65 3ZLM ANP 0.002763 0.43016 3.19149
66 3F81 STT 0.00129 0.45429 3.27869
67 2D37 NAD 0.01807 0.4073 3.40909
68 2D37 FMN 0.01689 0.4073 3.40909
69 3I7S PYR 0.0005764 0.46112 3.43348
70 2C31 TZD 0.02147 0.43625 3.43348
71 2C31 ADP 0.02093 0.43625 3.43348
72 2ZJ5 ADP 0.0006272 0.4356 3.43348
73 9LDT OXM 0.006368 0.42996 3.43348
74 3IB9 BTN 0.002406 0.42923 3.43348
75 9LDB OXM 0.006918 0.42818 3.43348
76 4COQ SAN 0.002589 0.41727 3.43348
77 3E4O SIN 0.001959 0.4158 3.43348
78 1OIK AKG 0.003581 0.41141 3.43348
79 3U1T MLI 0.005502 0.40997 3.43348
80 2W8Q SIN 0.005669 0.4094 3.43348
81 1SOW OXL 0.01265 0.40744 3.43348
82 4JCA CIT 0.001979 0.45509 3.59281
83 1JGS SAL 0.006362 0.43953 3.62319
84 2ZWS PLM 0.0003077 0.50798 3.86266
85 1NZY BCA 0.001212 0.45985 3.86266
86 2Q89 6CS 0.0003817 0.45465 3.86266
87 1NML CIT 0.0001008 0.45439 3.86266
88 2AEB ABH 0.008913 0.42795 3.86266
89 2PTZ PAH 0.002568 0.42726 3.86266
90 2H6B 3C4 0.006705 0.42376 3.86266
91 1B74 DGN 0.005073 0.41849 3.86266
92 3PJU C2E 0.0117 0.41443 3.86266
93 2QIA U20 0.04282 0.41142 3.86266
94 2F7C CCU 0.002841 0.40933 3.86266
95 1GJW MAL 0.0004636 0.40624 3.86266
96 2CW6 3HG 0.01385 0.40556 3.86266
97 3VPD ANP 0.01332 0.40435 3.86266
98 3MD0 GDP 0.001254 0.40249 3.86266
99 3FO2 BZH 0.01171 0.41057 3.93013
100 1I1Q TRP 0.001656 0.40092 4.16667
101 2PWY SAH 0.004579 0.42794 4.26357
102 3IHB TRS 0.0008273 0.4648 4.29185
103 1IYE PGU 0.001505 0.45997 4.29185
104 1HQL GLA MBG 0.0006994 0.44875 4.29185
105 1XHL NDP 0.00531 0.43644 4.29185
106 4B9E FAH 0.002295 0.42641 4.29185
107 3IHB GLU 0.002481 0.42495 4.29185
108 1H16 PYR 0.005852 0.41568 4.29185
109 1GAD NAD 0.01283 0.41264 4.29185
110 5T0A A3P 0.00415 0.41261 4.29185
111 2G36 TRP 0.002548 0.41123 4.29185
112 4K30 NLG 0.0004643 0.41007 4.375
113 1YFZ IMP 0.004141 0.40278 4.39024
114 2BOI MFU 0.0003724 0.43407 4.42478
115 1GU3 BGC BGC BGC BGC BGC 0.001763 0.40796 4.69799
116 1PR9 NAP 0.001452 0.46334 4.72103
117 3DAG FEG 0.001182 0.45714 4.72103
118 2EFJ SAH 0.000603 0.4562 4.72103
119 4HZX G39 0.003646 0.45189 4.72103
120 2DKH FAD 0.002836 0.45009 4.72103
121 2DKH 3HB 0.004472 0.44776 4.72103
122 2IZ1 ATR 0.0006896 0.44117 4.72103
123 3BS8 PMP 0.002168 0.42558 4.72103
124 1GVF PGH 0.0007975 0.42167 4.72103
125 1KBJ FMN 0.008607 0.41895 4.72103
126 2QCX PF1 0.002232 0.41353 4.72103
127 3KJI ADP 0.00567 0.41272 4.72103
128 3CXO 3LR 0.02221 0.40453 4.72103
129 3CXO 1N5 0.02754 0.40265 4.72103
130 3QV9 QV7 0.00469 0.40061 4.72103
131 2FMD MAN MAN 0.01523 0.40012 4.72103
132 3PNL ADP 0.00152 0.44714 4.73934
133 2B82 ADN 0.008096 0.41376 4.73934
134 3U5S FAD 0.001396 0.44687 4.7619
135 3BL6 FMC 0.008556 0.40911 4.78261
136 4F8L GAL 0.004012 0.44996 4.82759
137 2JBH 5GP 0.001214 0.40493 4.88889
138 3ACC 5GP 0.0006941 0.44041 4.97238
139 1SC3 MLI 0.005869 0.41563 5.05618
140 4USQ FAD 0.0002306 0.50116 5.15021
141 1RYD GLC 0.0003439 0.45373 5.15021
142 1TDF FAD 0.005864 0.44882 5.15021
143 1TDF NAP 0.01381 0.44527 5.15021
144 2YVF NAD 0.01571 0.43772 5.15021
145 2YVF FAD 0.01525 0.43772 5.15021
146 1JA9 NDP 0.03539 0.42372 5.15021
147 1JA9 PYQ 0.009342 0.42152 5.15021
148 1HEX NAD 0.01542 0.41041 5.15021
149 4M5P MLA 0.02076 0.40445 5.15021
150 1C3V PDC 0.004486 0.40138 5.15021
151 3CBG 4FE 0.005276 0.43401 5.17241
152 3CBG FER 0.006772 0.42029 5.17241
153 1WHT BZS 0.00151 0.42702 5.22876
154 1OGD RIP 0.001529 0.41007 5.34351
155 2F01 BTQ 0.0251 0.42949 5.51181
156 2F01 BTN 0.0251 0.42949 5.51181
157 1P9P SAH 0.00004872 0.51221 5.5794
158 2ZJ3 G6P 0.0002415 0.47772 5.5794
159 2BGM NAJ 0.01564 0.43518 5.5794
160 1Y42 TYR 0.001256 0.41475 5.5794
161 3O03 GCO 0.01352 0.40607 5.5794
162 1H2M OGA 0.006042 0.40195 5.76923
163 1Y75 NAG 0.00128 0.40366 5.9322
164 3A8U PLP 0.001541 0.41997 6.00858
165 3BLI PYR 0.001352 0.40913 6.00858
166 3BLI ACO 0.01129 0.40913 6.00858
167 2J0W ADP 0.008375 0.40758 6.00858
168 1P9B HDA 0.003489 0.40576 6.00858
169 3M6W SAM 0.0001346 0.40103 6.00858
170 3S43 478 0.02801 0.41321 6.06061
171 4B16 NAG 0.008521 0.42369 6.43777
172 1Q3Q ANP 0.03037 0.42107 6.43777
173 4DYO SD4 0.000644 0.4161 6.43777
174 1QDS PGA 0.0007267 0.40551 6.43777
175 3ZGE ASP 0.01094 0.40338 6.43777
176 4N02 FNR 0.00376 0.4622 6.86695
177 2EB5 OXL 0.00126 0.43028 6.86695
178 2Z9V PXM 0.000968 0.41802 6.86695
179 4G1V FAD 0.01964 0.40568 6.86695
180 1QO0 BMD 0.00562 0.40326 7.14286
181 1UZN NAP 0.001055 0.44357 7.29614
182 1ZFJ IMP 0.0169 0.42441 7.29614
183 1GPJ CIT 0.001895 0.42291 7.29614
184 4LNL 2BK 0.004236 0.41807 7.29614
185 4LNL 2BO 0.004236 0.41807 7.29614
186 2Q1A 2KT 0.002901 0.41522 7.29614
187 2VJJ RAM GLC GAL NAG NAG GLC 0.03428 0.41403 7.29614
188 4LNL PLG 0.005414 0.41136 7.29614
189 2ZYF AKG 0.001128 0.40671 7.29614
190 1LYX PGA 0.0002261 0.40349 7.29614
191 1H2K OGA 0.006639 0.40024 7.31707
192 2BVE PH5 0.008998 0.40966 7.56302
193 4DQ2 BTX 0.004928 0.43401 7.72532
194 4G28 0W8 0.0004781 0.42098 7.84314
195 3OZG SSI 0.002039 0.4315 8.15451
196 3ZY6 GFB 0.009272 0.4112 8.15451
197 1JAC AMG 0.0151 0.41135 8.27068
198 2C4I BTN 0.0001656 0.47752 8.58369
199 1E7S NAP 0.008906 0.42621 8.58369
200 1Y1A GSH 0.0008258 0.49548 8.74317
201 2Q8H TF4 0.002174 0.44358 9.01288
202 3VKX T3 0.003099 0.43094 9.01288
203 1OMZ UD2 0.03186 0.4113 9.01288
204 1G8S MET 0.002876 0.41537 9.13043
205 1H8P PC 0.0002983 0.48426 9.17431
206 2Q3M MLA 0.0002418 0.48855 9.44206
207 2BLE 5GP 0.0182 0.43329 9.44206
208 2GDZ NAD 0.007176 0.42798 9.44206
209 3CL5 SIO 0.003716 0.41735 9.44206
210 4AMV F6R 0.0001418 0.40635 9.44206
211 1N07 FMN 0.03608 0.41058 9.81595
212 1T0S BML 0.00005509 0.5071 9.87124
213 5YAS FAC 0.00192 0.42515 9.87124
214 2JGS BTN 0.003457 0.40072 10
215 4USS GSH 0.0003129 0.43428 10.3004
216 2YCJ C2F 0.004914 0.41313 10.3004
217 1NU4 MLA 0.001701 0.46937 10.3093
218 1NME 159 0.0001276 0.50164 10.8696
219 1SS4 CIT 0.001975 0.50132 11.1111
220 1SS4 GSH 0.002802 0.46726 11.1111
221 4O8A 2OP 0.0116 0.40921 11.1588
222 2FPU HSO 0.001685 0.40058 11.3636
223 3S9K CIT 0.0003656 0.50319 11.8644
224 4Q3F TLA 0.001366 0.42882 11.9658
225 1YAG ATP 0.002182 0.44205 12
226 1LAF ARG 0.00002261 0.5662 12.0172
227 3UH0 TSB 0.001582 0.44817 12.0172
228 3H22 B53 0.0009336 0.40182 12.0172
229 2Q37 3AL 0.0006933 0.43386 12.7072
230 2V5E SCR 0.02281 0.40241 12.8713
231 4ARF IP8 GLY PRO ALA 0.00363 0.42091 12.8755
232 1RY2 AMP 0.009458 0.41713 12.8755
233 3ZPG 5GP 0.004406 0.42911 13.3047
234 2VKL MLT 0.006703 0.42886 13.3333
235 3N26 ARG 0.0001498 0.45687 13.7339
236 2Q97 ATP 0.00231 0.43922 13.9535
237 3BY8 MLT 0.009038 0.40061 14.0845
238 1OFH ADP 0.011 0.41421 14.5923
239 2XDQ MGX 0.0007404 0.46565 15.0215
240 1RZM E4P 0.003101 0.42075 17.5966
241 1FIQ FAD 0.002138 0.45693 21.03
242 1FIQ MTE 0.00454 0.43696 21.03
243 1FIQ SAL 0.005172 0.43696 21.03
244 1R27 MGD 0.008147 0.43252 21.4592
245 1KC7 PPR 0.0008878 0.44427 24.8927
246 1UO5 PIH 0.0004961 0.49719 26.4706
247 2RC8 DSN 0.000000711 0.61471 29.1845
248 4F2Q QUS 0.000000003903 0.54974 30.0429
249 1HSL HIS 0.00003677 0.52341 30.9013
250 3OEN GLU 0.00001142 0.50717 32.618
251 1PBQ DK1 0.0001632 0.49711 35.1931
252 1XT8 CYS 0.0000001033 0.64995 36.9099
253 2RCA GLY 0.0000004156 0.57325 37.3391
254 2VHA GLU 0.0000002102 0.55517 37.3391
255 4DZ1 DAL 0.000318 0.48056 37.3391
256 2YLN CYS 0.004904 0.4192 39.0558
257 4G4P GLN 0.0000004596 0.59569 39.485
258 3VV5 SLZ 0.0001937 0.45375 42.0601
259 4POW OP1 0.00009731 0.40655 42.0601
260 4JWX 1N4 0.00001285 0.53089 42.4893
261 4KQP GLN 0.000002405 0.5839 42.6724
262 4GYW UDP 0.004288 0.44066 42.8571
263 4IO2 GLU 0.000002763 0.59794 43.3476
264 4C0R GDS 0.0005447 0.49638 43.3476
265 2YJP CYS 0.00000007198 0.65824 44.206
266 1WDN GLN 0.0000009394 0.56119 46.9027
267 2PYY GLU 0.00000002156 0.6926 48.6842
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