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 301 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 221 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 (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3GJF Kd = 46 nM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
2 2ZPK - PRO ARG GLY TYR PRO GLY GLN VAL n/a n/a
3 3NIF - NIF C11 H15 N5 O S CCC1=NN2C(....
4 3ZDY - GLY ARG GLY ASP SER PRO n/a n/a
5 3ZE2 - GLY ARG GLY ASP SER PRO n/a n/a
6 2VDR - LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL n/a n/a
7 3WFD - AXO C2 H5 N O C/C=N/O
8 4XTR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1W72 Kd = 14 nM GLU ALA ASP PRO THR GLY HIS SER TYR n/a n/a
10 6ID4 Kd = 0.00000145 M ALA ILE PHE GLN SER SER MET THR LYS n/a n/a
11 5X2N - ALA C3 H7 N O2 C[C@@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 DAL 1 1
2 ALA 1 1
3 VAL 0.611111 0.882353
4 ALO 0.578947 0.789474
5 THR 0.578947 0.789474
6 HGY 0.5625 0.666667
7 DBB 0.526316 0.75
8 ABA 0.526316 0.75
9 AKB 0.526316 0.75
10 LEU 0.5 0.681818
11 ILE 0.5 0.714286
12 NVA 0.434783 0.652174
13 VAH 0.434783 0.6
14 FLA 0.428571 0.636364
15 DCY 0.428571 0.608696
16 C2N 0.428571 0.636364
17 CYS 0.428571 0.608696
18 HL5 0.407407 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5X2N; Ligand: ALA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5x2n.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5X2N; Ligand: ALA; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 5x2n.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1Z17 ILE 10.7558
2 1USI PHE 11.8497
3 1USI PHE 11.8497
Pocket No.: 3; Query (leader) PDB : 5X2N; Ligand: ALA; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5X2N; Ligand: ALA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5x2n.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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