Receptor
PDB id Resolution Class Description Source Keywords
2PYY 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE GLUR0 LIGAND-BINDING CORE FROM NOST PUNCTIFORME IN COMPLEX WITH (L)-GLUTAMATE NOSTOC PUNCTIFORME GLUR0 LIGAND BINDING DOMAIN TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE GLUR0 LIGAND-BINDING CORE NOSTOC PUNCTIFORME IN COMPLEX WITH L-GLUTAMATE: STR DISSECTION OF THE LIGAND INTERACTION AND SUBUNIT IN J.MOL.BIOL. V. 376 308 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU A:1620;
B:2620;
C:3620;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 0.2 uM
147.129 C5 H9 N O4 C(CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PYY 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE GLUR0 LIGAND-BINDING CORE FROM NOST PUNCTIFORME IN COMPLEX WITH (L)-GLUTAMATE NOSTOC PUNCTIFORME GLUR0 LIGAND BINDING DOMAIN TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE GLUR0 LIGAND-BINDING CORE NOSTOC PUNCTIFORME IN COMPLEX WITH L-GLUTAMATE: STR DISSECTION OF THE LIGAND INTERACTION AND SUBUNIT IN J.MOL.BIOL. V. 376 308 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 2PYY Kd = 0.2 uM GLU C5 H9 N O4 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 2PYY Kd = 0.2 uM GLU C5 H9 N O4 C(CC(=O)O)....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1WDN Kd = 0.5 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
2 5ITP Kd = 6.1 uM 6DB C9 H18 N4 O4 [H]/N=C(/N....
3 4POX Kd = 3.7 uM 2W2 C11 H20 N4 O6 [H]/N=C(/N....
4 2Y7I - ARG C6 H15 N4 O2 C(C[C@@H](....
5 4G4P Kd = 0.13 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
6 2PVU Kd = 0.49 uM LYS C6 H15 N2 O2 C(CC[NH3+]....
7 1LAG Kd = 500 nM HIS C6 H10 N3 O2 c1c([nH+]c....
8 2PYY Kd = 0.2 uM GLU C5 H9 N O4 C(CC(=O)O)....
9 1HSL Kd = 0.064 uM HIS C6 H10 N3 O2 c1c([nH+]c....
10 4ZV1 Kd = 5.7 uM ARG C6 H15 N4 O2 C(C[C@@H](....
11 4KQP Kd = 1.49 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
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 : 2PYY; Ligand: GLU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2pyy.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2PYY; 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: 2pyy.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2PYY; Ligand: GLU; Similar sites found: 35
This union binding pocket(no: 3) in the query (biounit: 2pyy.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZX2 RAM 0.0139 0.40664 None
2 5CAD PCA 0.005635 0.4179 1.31579
3 4X7G 3Y8 0.008644 0.4407 2.63158
4 1X38 IDD 0.0187 0.40087 2.63158
5 1KZN CBN 0.01252 0.41139 3.90244
6 4E1O PLP PVH 0.01598 0.41118 4.38596
7 5HRA DAS 0.01379 0.40118 4.38596
8 4DYG MES 0.006567 0.42601 5.26316
9 2H6B 3C4 0.02821 0.40297 5.6
10 5O4J SAH 0.03586 0.40692 5.70175
11 5O4J 9KH 0.03586 0.40692 5.70175
12 5O4J PJL 0.03454 0.40675 5.70175
13 4ZTE 4RL 0.002517 0.44592 6.16114
14 2IZ1 ATR 0.0166 0.40172 6.57895
15 3TW1 AHN 0.01553 0.40102 7.01754
16 5GUE GGS 0.01948 0.40523 8.33333
17 3BRE C2E 0.02094 0.4027 10.5263
18 1WG8 SAM 0.02143 0.40473 14.0351
19 5C5H 4YB 0.02416 0.40778 14.4737
20 4POW OP1 0.000002218 0.47806 14.9123
21 4YKI GLY 0.00001496 0.51473 33.3333
22 1XT8 CYS 0.0000005688 0.62192 34.2105
23 2Q89 6CS 0.0002562 0.47872 37.2807
24 4DZ1 DAL 0.0002256 0.49539 39.0351
25 2YJP CYS 0.0000006166 0.61915 40.3509
26 5L9O GOP 0.0002456 0.41137 42.1053
27 4C0R GDS 0.00008187 0.41863 42.5439
28 3N26 ARG 0.000009738 0.53218 42.9825
29 2YLN CYS 0.00438 0.42858 45.614
30 3VV5 SLZ 0.00003252 0.50901 46.4912
31 4YMX ARG 0.00005663 0.49746 47.807
32 2VHA GLU 0.00000005172 0.61362 48.2456
33 1II5 GLU 0.00000002156 0.6926 48.6842
34 2Q2A ARG 0.000002053 0.54594 48.6842
35 1LAF ARG 0.0000126 0.45229 49.1228
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