Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU A:701;
B:702;
Valid;
Valid;
none;
none;
submit data
147.129 C5 H9 N O4 C(CC(...
NAG A:801;
B:802;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
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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 263 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 196 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 171 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
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 : 2E4U; Ligand: GLU; Similar sites found: 18
This union binding pocket(no: 1) in the query (biounit: 2e4u.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UP7 NAD 0.01717 0.40999 1.67866
2 1Q0H NDP 0.03478 0.41533 1.72414
3 1Q0H FOM 0.04928 0.40565 1.72414
4 4EVQ PHB 0.001437 0.44056 1.86667
5 4IXH Q21 0.01207 0.40404 1.93906
6 3ITJ FAD 0.0496 0.40772 2.36686
7 4OOE NDP 0.02341 0.4046 2.72277
8 1USI PHE 0.0000002774 0.5719 3.17919
9 1Z17 ILE 0.00000002835 0.60862 3.19767
10 1H82 GZZ 0.04307 0.41825 4.23729
11 1H82 FAD 0.03783 0.41825 4.23729
12 4BUY F37 0.02986 0.40177 4.58333
13 4MSG 2C6 0.03717 0.40345 5.06912
14 1J3R 6PG 0.01 0.40121 7.36842
15 3IP5 ALA 0.00000001306 0.70805 10.3933
16 4JB0 ENO 0.00199 0.4414 18.9189
17 4JB0 FER 0.002127 0.43769 18.9189
18 4WB6 ATP 0.02182 0.40478 40
Pocket No.: 2; Query (leader) PDB : 2E4U; Ligand: GLU; 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: 2e4u.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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