Receptor
PDB id Resolution Class Description Source Keywords
5X2N 2.2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE MEDAKA FISH TASTE RECEPTOR T1R2A-T1 BINDING DOMAINS IN COMPLEX WITH L-ALANINE ORYZIAS LATIPES RECEPTOR LIGAND BINDING AMINO ACID VENUS-FLYTRAP DOMAIN PROTEIN-IMMUNE SYSTEM COMPLEX
Ref.: STRUCTURAL BASIS FOR PERCEPTION OF DIVERSE CHEMICAL SUBSTANCES BY T1R TASTE RECEPTORS NAT COMMUN V. 8 15530 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:961;
C:961;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
ALA D:951;
A:951;
B:951;
C:951;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
89.093 C3 H7 N O2 C[C@@...
NAG C:901;
C:907;
B:902;
D:903;
A:907;
D:902;
B:903;
B:905;
B:901;
A:905;
A:901;
C:906;
C:903;
A:904;
A:906;
D:904;
D:901;
C:905;
A:903;
C:902;
C:904;
B:904;
A:902;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
CL D:971;
B:971;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5X2N 2.2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE MEDAKA FISH TASTE RECEPTOR T1R2A-T1 BINDING DOMAINS IN COMPLEX WITH L-ALANINE ORYZIAS LATIPES RECEPTOR LIGAND BINDING AMINO ACID VENUS-FLYTRAP DOMAIN PROTEIN-IMMUNE SYSTEM COMPLEX
Ref.: STRUCTURAL BASIS FOR PERCEPTION OF DIVERSE CHEMICAL SUBSTANCES BY T1R TASTE RECEPTORS NAT COMMUN V. 8 15530 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 5X2M - GLN C5 H10 N2 O3 C(CC(=O)N)....
2 5X2N - ALA C3 H7 N O2 C[C@@H](C(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 5X2M - GLN C5 H10 N2 O3 C(CC(=O)N)....
2 5X2N - ALA C3 H7 N O2 C[C@@H](C(....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZPK - PRO ARG GLY TYR PRO GLY GLN VAL n/a n/a
2 3NIF - NIF C11 H15 N5 O S CCC1=NN2C(....
3 3ZE2 - GLY ARG GLY ASP SER PRO n/a n/a
4 2VDR - LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL n/a n/a
5 3WFD - AXO C2 H5 N O C/C=N/O
6 4XVU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 4XTR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 5X2N - ALA C3 H7 N O2 C[C@@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA 1 1
2 DAL 1 1
3 VAL 0.611111 0.882353
4 THR 0.578947 0.789474
5 HGY 0.5625 0.666667
6 ABA 0.526316 0.75
7 DBB 0.526316 0.75
8 LEU 0.5 0.681818
9 ILE 0.5 0.714286
10 VAH 0.434783 0.6
11 NVA 0.434783 0.652174
12 C2N 0.428571 0.636364
13 DCY 0.428571 0.608696
14 CYS 0.428571 0.608696
15 FLA 0.428571 0.636364
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5X2N; Ligand: ALA; Similar sites found: 45
This union binding pocket(no: 1) in the query (biounit: 5x2n.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RGQ NDP 0.04411 0.40092 4
2 1Q0S SAH 0.03052 0.40719 4.14747
3 1N5D NDP 0.04338 0.40122 4.16667
4 4EVQ PHB 0.0003991 0.43077 4.88889
5 4JB0 ENO 0.00244 0.44951 5.13514
6 4JB0 FER 0.004399 0.43345 5.13514
7 5GM9 CBK 0.04003 0.40244 5.16432
8 2R75 01G 0.03846 0.40425 5.52995
9 5L4S NAP 0.01632 0.43441 5.77778
10 5L4S 6KX 0.01632 0.43441 5.77778
11 1B57 PGH 0.01244 0.40699 5.86592
12 5T2Z 017 0.02181 0.41415 6.06061
13 3MN9 ATP 0.009133 0.42442 6.45161
14 1BKC INN 0.01853 0.40305 6.91244
15 2WZF UDP 0.003355 0.4447 7.55556
16 2Q97 ATP 0.01283 0.41947 7.55556
17 4B1Y ATP 0.01498 0.41554 7.55556
18 3SM2 478 0.04395 0.40829 7.57576
19 1P9P SAH 0.02099 0.40652 7.66284
20 5FSY AR6 0.0287 0.40204 7.89474
21 2D1K ATP 0.01821 0.4081 8.07692
22 2A40 ATP 0.02058 0.404 8.07692
23 3HYK A3P 0.01001 0.41262 8.19672
24 4O1M NAD 0.02 0.42168 8.25397
25 3AFN NAP 0.03837 0.40436 8.52713
26 2ED4 FAD 0.03481 0.40522 8.72483
27 1OIV GDP 0.03263 0.40149 8.90052
28 2RHO GSP 0.03515 0.40275 8.92308
29 1T44 ATP 0.01339 0.41498 9.52381
30 3ZEU AGS 0.02644 0.40506 10.2222
31 3ZEU ADP 0.02364 0.40444 10.2222
32 4PKI ATP 0.01372 0.41614 10.4121
33 1Z17 ILE 0.000000172 0.61416 10.7558
34 3F3E LEU 0.04488 0.4033 11.5207
35 1USI PHE 0.00000002699 0.65319 11.8497
36 3MN5 ATP 0.02475 0.40183 13.1579
37 5IXJ THR 0.0302 0.40849 13.3838
38 2PBD ATP 0.005372 0.43841 13.6691
39 3RYC GTP 0.01401 0.43609 13.986
40 3MGB PAP 0.01851 0.41234 14.7465
41 2A3Z ATP 0.01944 0.40532 17.2414
42 3ICS FAD 0.04128 0.40984 19.5556
43 2V52 ATP 0.01588 0.41264 34.375
44 3L9R L9R 0.04294 0.40512 36.7347
45 3IP5 ALA 0.0000001093 0.62343 43.8202
Pocket No.: 2; Query (leader) PDB : 5X2N; Ligand: ALA; 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: 5x2n.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5X2N; Ligand: ALA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5x2n.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5X2N; Ligand: ALA; Similar sites found: 12
This union binding pocket(no: 4) in the query (biounit: 5x2n.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RGQ 13P 0.04512 0.40423 4
2 1SW0 PGA 0.01242 0.40766 5.06912
3 4I42 1HA 0.0403 0.4018 5.61404
4 1XG5 NAP 0.03003 0.40907 6.45161
5 3MN7 ATP 0.02238 0.40584 6.45161
6 2V51 ATP 0.02139 0.40464 7.55556
7 4G6I RS3 0.04642 0.40536 8
8 4A22 TD4 0.04301 0.41289 8.72093
9 5EPO NAP 0.04055 0.40488 8.77863
10 3HGM ATP 0.02274 0.40712 8.84354
11 4GID 0GH 0.03462 0.44665 11.0599
12 5AHW CMP 0.01801 0.40466 14.966
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