Receptor
PDB id Resolution Class Description Source Keywords
2RCA 1.58 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE NR3B LIGAND BINDING CORE COMPLEX WI AT 1.58 ANGSTROM RESOLUTION RATTUS NORVEGICUS MEMBRANE PROTEIN CELL JUNCTION GLYCOPROTEIN ION TRANSPORTCHANNEL MAGNESIUM POSTSYNAPTIC CELL MEMBRANE RECEPTOR STRANSMEMBRANE TRANSPORT
Ref.: MOLECULAR MECHANISM OF LIGAND RECOGNITION BY NR3 SU GLUTAMATE RECEPTORS. EMBO J. V. 27 2158 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY A:901;
A:902;
Valid;
Valid;
none;
none;
Kd = 16.4 nM
75.067 C2 H5 N O2 C(C(=...
GOL A:903;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2RCA 1.58 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE NR3B LIGAND BINDING CORE COMPLEX WI AT 1.58 ANGSTROM RESOLUTION RATTUS NORVEGICUS MEMBRANE PROTEIN CELL JUNCTION GLYCOPROTEIN ION TRANSPORTCHANNEL MAGNESIUM POSTSYNAPTIC CELL MEMBRANE RECEPTOR STRANSMEMBRANE TRANSPORT
Ref.: MOLECULAR MECHANISM OF LIGAND RECOGNITION BY NR3 SU GLUTAMATE RECEPTORS. EMBO J. V. 27 2158 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 2RCB - DSN C3 H7 N O3 C([C@H](C(....
2 2RCA Kd = 16.4 nM GLY C2 H5 N O2 C(C(=O)O)N
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 2RC9 - 1AC C4 H7 N O2 C1CC1(C(=O....
2 2RC8 - DSN C3 H7 N O3 C([C@H](C(....
3 2RC7 - GLY C2 H5 N O2 C(C(=O)O)N
4 2RCB - DSN C3 H7 N O3 C([C@H](C(....
5 2RCA Kd = 16.4 nM GLY C2 H5 N O2 C(C(=O)O)N
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 3OEM - OEM C5 H9 N O4 CN[C@H](CC....
2 3OEN - GLU C5 H9 N O4 C(CC(=O)O)....
3 3OEK - ASP C4 H7 N O4 C([C@@H](C....
4 4JWY - 1N4 C8 H13 N3 O3 CCCc1cnn(c....
5 3OEL - DGL C5 H9 N O4 C(CC(=O)O)....
6 4JWX - 1N4 C8 H13 N3 O3 CCCc1cnn(c....
7 2A5S - GLU C5 H9 N O4 C(CC(=O)O)....
8 2RC9 - 1AC C4 H7 N O2 C1CC1(C(=O....
9 2RC8 - DSN C3 H7 N O3 C([C@H](C(....
10 2RC7 - GLY C2 H5 N O2 C(C(=O)O)N
11 2RCB - DSN C3 H7 N O3 C([C@H](C(....
12 2RCA Kd = 16.4 nM GLY C2 H5 N O2 C(C(=O)O)N
13 1Y20 Ki = 4.8 uM 1AC C4 H7 N O2 C1CC1(C(=O....
14 1PB7 - GLY C2 H5 N O2 C(C(=O)O)N
15 1Y1Z Ki = 0.831 mM 192 C5 H9 N O2 C1CC(C1)(C....
16 1PB8 Ki = 7.02 uM DSN C3 H7 N O3 C([C@H](C(....
17 1Y1M Ki = 15.3 mM AC5 C6 H11 N O2 C1CCC(C1)(....
18 1PBQ Ki = 0.54 uM DK1 C10 H5 Cl2 N O3 c1c(cc(c2c....
19 1PB9 Ki = 241 uM 4AX C3 H6 N2 O2 C1[C@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY 1 1
2 BAL 0.5625 0.708333
3 ABU 0.473684 0.708333
4 MCR 0.466667 0.65
5 2RA 0.421053 0.692308
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2RCA; Ligand: GLY; Similar sites found: 32
This union binding pocket(no: 1) in the query (biounit: 2rca.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1WK9 TSB 0.01211 0.4185 None
2 3HVJ 705 0.002595 0.48254 1.80995
3 3G35 F13 0.006876 0.43469 1.90114
4 1P9P SAH 0.03219 0.40139 1.91571
5 5NE2 DGL 0.00396 0.41899 2.15827
6 3UWV 2PG 0.01104 0.42593 2.29885
7 2ZJ3 G6P 0.003171 0.45053 2.39726
8 3ITA AIC 0.0053 0.41749 3.42466
9 2QB8 ATP 0.01003 0.4172 3.42466
10 2Q89 6CS 0.001691 0.40495 3.50195
11 3Q9T FAY 0.005989 0.4576 3.76712
12 4C0R GDS 0.002258 0.45587 4.83871
13 1QFY NAP 0.02366 0.41892 5.47945
14 1QFY FAD 0.02366 0.41892 5.47945
15 3R96 ACO 0.03125 0.41277 5.85106
16 3R96 AMP 0.03125 0.41277 5.85106
17 1HSL HIS 0.000006303 0.5624 8.40336
18 4DZ1 DAL 0.00007476 0.48983 10.4247
19 2YLN CYS 0.006414 0.4038 13.0137
20 2YJP CYS 0.0000006344 0.56488 13.3562
21 2VHA GLU 0.0000004429 0.50959 18.4669
22 1XT8 CYS 0.000001404 0.55028 18.8356
23 3VV5 SLZ 0.0004009 0.41618 28.0769
24 2Q2A ARG 0.00006409 0.43413 36.0294
25 4G4P GLN 0.00002535 0.48297 36.0656
26 1II5 GLU 0.0000004156 0.57325 37.3391
27 4YKI GLY 0.00000002185 0.62724 40.625
28 4KQP GLN 0.00001307 0.50895 40.9483
29 1WDN GLN 0.0000192 0.47441 41.1504
30 4ZV1 ARG 0.00003048 0.46667 41.2017
31 5EHS 5OY 0.0001058 0.41445 44.7761
32 5EHS 2JJ 0.0001058 0.41445 44.7761
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