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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 286 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 209 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 174 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 GGL 1 1
2 GLU 1 1
3 DGL 1 1
4 DGN 0.62963 0.821429
5 GLN 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 NPI 0.53125 0.923077
11 HGA 0.53125 0.666667
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 NVA 0.5 0.740741
17 API 0.5 0.884615
18 DAS 0.481481 0.846154
19 ASP 0.481481 0.846154
20 TNA 0.463415 0.685714
21 DBB 0.461538 0.692308
22 ABA 0.461538 0.692308
23 DSN 0.461538 0.655172
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 C2N 0.444444 0.666667
31 CYS 0.444444 0.642857
32 NLE 0.4375 0.689655
33 2HG 0.433333 0.653846
34 S2G 0.433333 0.653846
35 ASN 0.428571 0.677419
36 26P 0.428571 0.857143
37 3GC 0.425 0.705882
38 DLY 0.424242 0.666667
39 MED 0.424242 0.625
40 MET 0.424242 0.625
41 MSE 0.424242 0.606061
42 BIX 0.418605 0.631579
43 MF3 0.416667 0.625
44 CBH 0.414634 0.774194
45 DHH 0.411765 0.851852
46 LYS 0.411765 0.645161
47 SHR 0.409091 0.774194
48 2NP 0.405405 0.71875
49 AS2 0.4 0.84
50 5OY 0.4 0.648649
51 ONH 0.4 0.611111
52 2JJ 0.4 0.648649
53 LEU 0.4 0.642857
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: 25
This union binding pocket(no: 1) in the query (biounit: 2e4u.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1UP7 NAD 1.67866
2 5MB4 NAG 1.74564
3 4EVQ PHB 1.86667
4 5WS9 AMP 1.89474
5 5W5R PYR 1.91388
6 4IXH Q21 1.93906
7 1RZM E4P 2.07101
8 4OOE FOM 2.72277
9 4OOE NDP 2.72277
10 2WTN FER 2.78884
11 6BYF CIT 2.94118
12 1USI PHE 3.17919
13 1Z17 ILE 3.19767
14 1H82 FAD 4.23729
15 1H82 GZZ 4.23729
16 4BUY F37 4.58333
17 4MSG 2C6 5.06912
18 2H5Z CTO 6.55738
19 1J3R 6PG 7.36842
20 3IP6 PRO 10.3933
21 5O3Q CMP 11.6667
22 1LUA NAP 13.2404
23 4JB0 FER 18.9189
24 4JB0 ENO 18.9189
25 4WB6 ATP 40
Pocket No.: 2; Query (leader) PDB : 2E4U; Ligand: GLU; Similar sites found with APoc: 12
This union binding pocket(no: 2) in the query (biounit: 2e4u.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2BJK NAD 1.55039
2 1UWK URO 1.62162
3 1UWK NAD 1.62162
4 3Q9T FAY 1.62162
5 4UP3 FAD 1.91083
6 3ITJ FAD 2.36686
7 6G1P CIT 4
8 1QO0 BMD 4.08163
9 1TL2 NDG 4.66102
10 5ZMY TAR 4.77707
11 2QCS ANP 10.5714
12 4CJX NAP 12.8527
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