Receptor
PDB id Resolution Class Description Source Keywords
2E4W 2.4 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE EXTRACELLULAR REGION OF THE GROUP I METABOTROPIC GLUTAMATE RECEPTOR COMPLEXED WITH 1S,3S-ACPD RATTUS NORVEGICUS G-PROTEIN-COUPLED RECEPTOR NEURON CENTRAL NERVE SYSTEM SIPROTEIN
Ref.: STRUCTURES OF THE EXTRACELLULAR REGIONS OF THE GROU METABOTROPIC GLUTAMATE RECEPTORS PROC.NATL.ACAD.SCI.USA V. 104 3759 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C5A A:1001;
B:2001;
 Valid;
Valid;
 none;
none;
 submit data
173.167 C7 H11 N O4 C1C[C...
NAG A:801;
B:802;
 Invalid;
Invalid;
 none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2E4U 2.35 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE EXTRACELLULAR REGION OF THE GROUP I METABOTROPIC GLUTAMATE RECEPTOR COMPLEXED WITH L-GLUTAMATE RATTUS NORVEGICUS G-PROTEIN-COUPLED RECEPTOR NEURON CENTRAL NERVE SYSTEM SIPROTEIN
Ref.: STRUCTURES OF THE EXTRACELLULAR REGIONS OF THE GROU METABOTROPIC GLUTAMATE RECEPTORS PROC.NATL.ACAD.SCI.USA V. 104 3759 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 2E4U - GLU C5 H9 N O4 C(CC(=O)O)....
2 2E4W - C5A C7 H11 N O4 C1C[C@](C[....
3 2E4V - 2CG C7 H9 N O6 C1([C@H]([....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 2E4U - GLU C5 H9 N O4 C(CC(=O)O)....
2 2E4W - C5A C7 H11 N O4 C1C[C@](C[....
3 2E4V - 2CG C7 H9 N O6 C1([C@H]([....
4 4XAS Ki = 260 nM 40H C10 H13 N O4 C1CC12C[C@....
5 4XAQ Ki = 71.7 nM 40F C8 H11 N O4 C1C[C@]([C....
6 4XAR Ki = 107 nM 40F C8 H11 N O4 C1C[C@]([C....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 2E4U - GLU C5 H9 N O4 C(CC(=O)O)....
2 2E4W - C5A C7 H11 N O4 C1C[C@](C[....
3 2E4V - 2CG C7 H9 N O6 C1([C@H]([....
4 4XAS Ki = 260 nM 40H C10 H13 N O4 C1CC12C[C@....
5 4XAQ Ki = 71.7 nM 40F C8 H11 N O4 C1C[C@]([C....
6 4XAR Ki = 107 nM 40F C8 H11 N O4 C1C[C@]([C....
7 1EWK - GLU C5 H9 N O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: C5A; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 C5A 1 1
2 192 0.466667 0.806452
3 1AC 0.448276 0.774194
Similar Ligands (3D)
Ligand no: 1; Ligand: C5A; Similar ligands found: 255
No: Ligand Similarity coefficient
1 GLU 0.9436
2 40F 0.9372
3 5XB 0.9291
4 HIS 0.9281
5 AKG 0.9265
6 DGL 0.9232
7 LFC 0.9219
8 K6H 0.9217
9 2FT 0.9212
10 8EW 0.9211
11 ICT 0.9178
12 CIT 0.9170
13 RAT 0.9154
14 8GL 0.9147
15 A3M 0.9131
16 HPV 0.9131
17 OGA 0.9118
18 PEP 0.9110
19 GLN 0.9108
20 FOC 0.9100
21 1SV 0.9100
22 6JN 0.9089
23 7A8 0.9078
24 DAL DAL 0.9077
25 ALA ALA 0.9073
26 TLA 0.9069
27 URQ 0.9068
28 GCO 0.9067
29 XYH 0.9065
30 LNO 0.9060
31 X1R 0.9060
32 GBN 0.9052
33 R9M 0.9051
34 OSE 0.9037
35 AL0 0.9036
36 MUC 0.9029
37 PPY 0.9025
38 ONL 0.9016
39 RNT 0.9014
40 ROR 0.9013
41 0OC 0.9010
42 URP 0.9009
43 2C2 0.9003
44 S2G 0.9000
45 TPO 0.8995
46 2HG 0.8991
47 SMN 0.8990
48 I38 0.8980
49 CS2 0.8971
50 MLT 0.8971
51 DXG 0.8970
52 APG 0.8969
53 41K 0.8967
54 FLC 0.8960
55 SEP 0.8960
56 GLR 0.8949
57 9SE 0.8949
58 ICB 0.8946
59 PSJ 0.8945
60 PHE 0.8941
61 GRO 0.8939
62 IXW 0.8937
63 5HY 0.8937
64 HGA 0.8933
65 ASP 0.8930
66 XLS 0.8929
67 3HG 0.8928
68 E79 0.8925
69 13P 0.8925
70 3PG 0.8920
71 KDG 0.8918
72 SDD 0.8917
73 M5E 0.8916
74 HHH 0.8914
75 GLL 0.8914
76 EHM 0.8913
77 AOS 0.8908
78 GVM 0.8908
79 SOL 0.8906
80 R1P 0.8900
81 QDK 0.8899
82 RNS 0.8894
83 DGN 0.8893
84 173 0.8888
85 PAC 0.8887
86 AHN 0.8884
87 152 0.8882
88 2IT 0.8877
89 4VY 0.8876
90 FUD 0.8874
91 SOR 0.8872
92 LY0 0.8871
93 FK8 0.8871
94 J0Z 0.8868
95 HBU 0.8868
96 3BU 0.8867
97 8OZ 0.8865
98 2AL 0.8863
99 NCD 0.8862
100 TIH 0.8858
101 LX1 0.8856
102 0V5 0.8854
103 SRT 0.8852
104 ORN 0.8849
105 2D8 0.8839
106 XUL 0.8839
107 ASC 0.8838
108 9RH 0.8835
109 HFA 0.8835
110 GLO 0.8834
111 B3U 0.8830
112 DHS 0.8830
113 LUQ 0.8829
114 DYT 0.8829
115 GAE 0.8826
116 TAG 0.8823
117 XYL 0.8823
118 PDC 0.8821
119 P22 0.8817
120 QIC 0.8815
121 LPK 0.8815
122 RBL 0.8814
123 TAR 0.8811
124 LYS 0.8809
125 MD0 0.8805
126 M74 0.8803
127 RMN 0.8802
128 RB0 0.8802
129 DHI 0.8799
130 3YP 0.8799
131 HYA 0.8796
132 FA1 0.8792
133 OHP 0.8792
134 ASN 0.8790
135 CAX 0.8789
136 5NI 0.8789
137 DII 0.8788
138 M44 0.8788
139 LMR 0.8788
140 98J 0.8785
141 MES 0.8784
142 9RW 0.8784
143 CXP 0.8783
144 DLY 0.8781
145 7UC 0.8780
146 Q9Z 0.8779
147 OMD 0.8779
148 PMF 0.8776
149 7Q1 0.8776
150 SPV 0.8771
151 HCI 0.8771
152 IFL 0.8770
153 8WQ 0.8770
154 ICO 0.8765
155 GZQ 0.8762
156 PPR 0.8760
157 AEG 0.8760
158 F9P 0.8760
159 23J 0.8758
160 GGL 0.8755
161 6NT 0.8754
162 DHY 0.8752
163 GLY GLY 0.8752
164 L14 0.8752
165 MEV 0.8744
166 MNM 0.8742
167 FRU 0.8739
168 3SL 0.8739
169 SF6 0.8738
170 HDH 0.8737
171 G3H 0.8737
172 XX3 0.8734
173 4PN 0.8734
174 9YT 0.8733
175 I4B 0.8732
176 M6H 0.8731
177 SYM 0.8730
178 MTL 0.8729
179 NIZ 0.8727
180 BHO 0.8726
181 DIG 0.8725
182 449 0.8725
183 XBT 0.8722
184 NLE 0.8719
185 SKJ 0.8719
186 GUA 0.8714
187 OEG 0.8714
188 3NY 0.8711
189 4HP 0.8704
190 7WG 0.8704
191 0LH 0.8702
192 Q03 0.8697
193 7QS 0.8695
194 HPS 0.8694
195 2CO 0.8685
196 PBA 0.8683
197 DOB 0.8681
198 KMT 0.8680
199 TYR 0.8678
200 1L5 0.8677
201 OVM 0.8676
202 UYA 0.8667
203 EPR 0.8667
204 SYC 0.8667
205 7A2 0.8664
206 Q02 0.8662
207 FSG 0.8660
208 SAF 0.8659
209 OW4 0.8651
210 FF3 0.8651
211 BCU 0.8648
212 NCT 0.8643
213 SD4 0.8641
214 PD2 0.8637
215 QY9 0.8635
216 JYD 0.8634
217 TL6 0.8633
218 K7M 0.8625
219 1AL 0.8624
220 PZI 0.8624
221 ACH 0.8621
222 3PO 0.8615
223 6NI 0.8614
224 G3P 0.8613
225 AHB 0.8613
226 RES 0.8610
227 HPP 0.8610
228 PFL 0.8609
229 IT9 0.8608
230 KTA 0.8606
231 4CS 0.8601
232 ARG 0.8599
233 FOM 0.8597
234 DMJ 0.8595
235 TYL 0.8593
236 NF3 0.8587
237 PGA 0.8587
238 B85 0.8581
239 AFR 0.8580
240 TZM 0.8580
241 7A3 0.8579
242 M4T 0.8576
243 S7A 0.8571
244 RLG 0.8571
245 SHA 0.8566
246 3AL 0.8552
247 92K 0.8550
248 BHA 0.8548
249 FA0 0.8543
250 HXY 0.8541
251 56D 0.8534
252 ENO 0.8534
253 NAG 0.8528
254 M2K 0.8524
255 3QO 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2E4U; Ligand: GLU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2e4u.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2E4U; Ligand: GLU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2e4u.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback