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 224 families.
1 2RCB - DSN C3 H7 N O3 C(C(C(=O)O....
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 172 families.
1 2RC9 - 1AC C4 H7 N O2 C1CC1(C(=O....
2 2RC8 - DSN C3 H7 N O3 C(C(C(=O)O....
3 2RC7 - GLY C2 H5 N O2 C(C(=O)O)N
4 2RCB - DSN C3 H7 N O3 C(C(C(=O)O....
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 145 families.
1 1PB8 Ki = 7.02 uM DSN C3 H7 N O3 C(C(C(=O)O....
2 1Y20 Ki = 4.8 uM 1AC C4 H7 N O2 C1CC1(C(=O....
3 1PB7 - GLY C2 H5 N O2 C(C(=O)O)N
4 1Y1Z Ki = 0.831 mM 192 C5 H9 N O2 C1CC(C1)(C....
5 1Y1M Ki = 15.3 mM AC5 C6 H11 N O2 C1CCC(C1)(....
6 1PBQ Ki = 0.54 uM DK1 C10 H5 Cl2 N O3 c1c(cc(c2c....
7 1PB9 Ki = 241 uM 4AX C3 H6 N2 O2 C1C(C(=O)N....
8 3OEM - OEM C5 H9 N O4 CNC(CC(=O)....
9 3OEN - GLU C5 H9 N O4 C(CC(=O)O)....
10 3OEK - ASP C4 H7 N O4 C(C(C(=O)O....
11 4JWY - 1N4 C8 H13 N3 O3 CCCc1cnn(c....
12 3OEL - DGL C5 H9 N O4 C(CC(=O)O)....
13 4JWX - 1N4 C8 H13 N3 O3 CCCc1cnn(c....
14 2A5S - GLU C5 H9 N O4 C(CC(=O)O)....
15 2RC9 - 1AC C4 H7 N O2 C1CC1(C(=O....
16 2RC8 - DSN C3 H7 N O3 C(C(C(=O)O....
17 2RC7 - GLY C2 H5 N O2 C(C(=O)O)N
18 2RCB - DSN C3 H7 N O3 C(C(C(=O)O....
19 2RCA Kd = 16.4 nM GLY C2 H5 N O2 C(C(=O)O)N
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: 43
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)
1 1II5 GLU 0.0000004156 0.57325
2 2YJP CYS 0.0000006344 0.56488
3 1HSL HIS 0.000006303 0.5624
4 2YJP CYS 0.0000007829 0.56128
5 2YJP CYS 0.0000008151 0.56014
6 1XT8 CYS 0.000001404 0.55028
7 2VHA GLU 0.0000004429 0.50959
8 4KQP GLN 0.00001307 0.50895
9 4DZ1 DAL 0.00007476 0.48983
10 4G4P GLN 0.00002535 0.48297
11 3HVJ 705 0.002595 0.48254
12 1WDN GLN 0.0000192 0.47441
13 4C0R GDS 0.001933 0.46185
14 4C0R GDS 0.001933 0.46185
15 3Q9T FAY 0.005319 0.46132
16 3Q9T FAY 0.005989 0.4576
17 4C0R GDS 0.002258 0.45587
18 2ZJ3 G6P 0.003171 0.45053
19 2Q2A ARG 0.00005164 0.43702
20 3G35 F13 0.006876 0.43469
21 3G35 F13 0.006957 0.43451
22 2Q2A ARG 0.00005342 0.43426
23 2Q2A ARG 0.00006409 0.43413
24 2Q2A ARG 0.00006949 0.43275
25 1QFY NAP 0.01455 0.43194
26 1QFY FAD 0.01455 0.43194
27 3HVJ 705 0.02309 0.42658
28 3UWV 2PG 0.01104 0.42593
29 3BWY DNC 0.01843 0.42557
30 3BWY SAM 0.01843 0.42557
31 1QFY NAP 0.02366 0.41892
32 1QFY FAD 0.02366 0.41892
33 1WK9 TSB 0.01211 0.4185
34 3ITA AIC 0.0053 0.41749
35 2QB8 ATP 0.01003 0.4172
36 3VV5 SLZ 0.0004009 0.41618
37 3R96 ACO 0.03018 0.41548
38 3R96 AMP 0.03018 0.41548
39 3R96 ACO 0.03125 0.41277
40 3R96 AMP 0.03125 0.41277
41 2Q89 6CS 0.001691 0.40495
42 2YLN CYS 0.006414 0.4038
43 1P9P SAH 0.03219 0.40139
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