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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 286 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 209 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 174 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 with APoc: 114
This union binding pocket(no: 1) in the query (biounit: 2rca.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1WK9 TSB None
2 3TD3 GLY None
3 2POC BG6 1.36986
4 4WQM FAD 1.36986
5 1HXD BTN 1.71233
6 3HVJ 705 1.80995
7 1ZUW DGL 1.83824
8 2DT5 NAD 1.89573
9 1P9P SAH 1.91571
10 5AA4 6X4 2.05479
11 5XVG 8FX 2.05479
12 1H2B NAJ 2.05479
13 4LZJ 22H 2.05479
14 5NE2 DGL 2.15827
15 3UWV 2PG 2.29885
16 3OJF NDP 2.33463
17 3OJF IMJ 2.33463
18 2ZJ3 G6P 2.39726
19 6C8T EQJ 2.39726
20 6B2M COA 2.44755
21 2GZM DGL 2.62172
22 2J4K U5P 2.65487
23 3L9W AMP 2.73973
24 3WBZ ATP 2.95203
25 5B0I BOG 3.08219
26 1BKC INN 3.125
27 4HA6 FAD 3.42466
28 3ITA AIC 3.42466
29 4NTC FAD 3.42466
30 2QB8 ATP 3.42466
31 3F3E LEU 3.42466
32 3O3R NAP 3.42466
33 1QG6 TCL 3.44828
34 1QG6 NAD 3.44828
35 2Q89 6CS 3.50195
36 4YNM SAM 3.53982
37 4ZRB COA 3.64964
38 3Q9T FAY 3.76712
39 1KYV RBF 3.77358
40 5NJI 8Z2 4.03727
41 1PZO CBT 4.18251
42 4D42 W0I 4.25532
43 4D42 NAP 4.25532
44 4ZTE 4RL 4.2654
45 1PVN MZP 4.52128
46 5VW2 NAP 4.79452
47 5VW2 FDA 4.79452
48 1QF5 GDP 4.79452
49 1QF5 RPL 4.79452
50 4UP4 GAL NAG 4.79452
51 4C0R GDS 4.83871
52 3NY4 SMX 4.90566
53 3HUN ZZ7 5.13699
54 1EJB INJ 5.35714
55 1MOQ GLP 5.47945
56 1QFY FAD 5.47945
57 1QFY NAP 5.47945
58 5MW8 ATP 5.47945
59 4AMV F6R 5.47945
60 3OIG NAD 5.6391
61 3T2C 13P 5.65111
62 2Y7I ARG 5.67686
63 5JFL NAD 5.82192
64 3R96 AMP 5.85106
65 3R96 ACO 5.85106
66 2JFQ DGL 5.94406
67 5APG EEM 5.94595
68 3KV8 FAH 6.47482
69 5D6J ATP 6.75676
70 3DRG ARG PRO PRO GLY PHE SER PRO PHE ALA 6.84932
71 5OKU 0L1 6.84932
72 5LYR MAN MNM 6.84932
73 2FR6 URI 6.84932
74 3RK1 ATP 7.173
75 6BSW UDP 7.87671
76 4KVX ACO 8.33333
77 1HSL HIS 8.40336
78 2IVF MD1 8.8785
79 4EPM AMP 8.90411
80 3ZIA ATP 9.52381
81 2WK9 PLG 9.58904
82 2WK9 PLP 9.58904
83 2C1X UDP 10.274
84 4DZ1 DAL 10.4247
85 6H1U ASP 10.453
86 1N1D C2G 10.8527
87 5CG1 NAD BBN 11.4754
88 4ZFL 4NK 11.5385
89 5DQ8 FLF 11.9863
90 1G51 AMO 13.0137
91 2YLN CYS 13.0137
92 1LAF ARG 13.0252
93 5ORG 6DB 13.308
94 2YJP CYS 13.3562
95 5X0J AMP 14.4628
96 5X0J SEP 14.4628
97 4POW OP1 16.2264
98 2VVT I24 16.5517
99 2UUU FAD 17.1233
100 2UUU PL3 17.1233
101 2VHA GLU 18.4669
102 1XT8 CYS 18.8356
103 3AB4 THR 21.9101
104 3VV5 SLZ 28.0769
105 5L9O GOP 32.0896
106 3N26 ARG 35.3659
107 4YMX ARG 35.3846
108 1II5 GLU 37.3391
109 4YKI GLY 40.625
110 4KQP GLN 40.9483
111 1WDN GLN 41.1504
112 4ZV1 ARG 41.2017
113 5EHS 5OY 44.7761
114 5EHS 2JJ 44.7761
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