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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 286 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 209 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 2 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 4XVU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
9 4XTR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 1W72 Kd = 14 nM GLU ALA ASP PRO THR GLY HIS SER TYR 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 ALA 1 1
2 DAL 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 ABA 0.526316 0.75
8 DBB 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 C2N 0.428571 0.636364
15 FLA 0.428571 0.636364
16 DCY 0.428571 0.608696
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: 130
This union binding pocket(no: 1) in the query (biounit: 5x2n.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1U1I NAD 2.66667
2 1GPJ CIT 2.92887
3 2I3G NAP 3.68664
4 1XKQ NDP 3.92857
5 4RGQ NDP 4
6 1Q0S SAH 4.14747
7 1N5D NDP 4.16667
8 1X1T NAD 4.23077
9 5GZ9 MAN 4.2623
10 3WQD PLP 999 4.35897
11 5Z21 NAI 4.7486
12 4EVQ PHB 4.88889
13 1FK8 NAD 4.88889
14 2FV5 541 4.98084
15 4JB0 ENO 5.13514
16 4JB0 FER 5.13514
17 5GM9 CBK 5.16432
18 4DXD 9PC 5.30303
19 3ZKK XYP XYP XYP XYP 5.33333
20 3H7U NAP 5.37313
21 4POW OP1 5.52995
22 2R75 01G 5.52995
23 5FB3 NDP 5.6213
24 5O98 NAP 5.67823
25 5L4S NAP 5.77778
26 5L4S 6KX 5.77778
27 5VJE GOS 5.86592
28 1W78 ADP 5.92417
29 5B4T 3HR 5.99078
30 5B4T NAD 5.99078
31 2Q8Z NUP 5.99078
32 5T2Z 017 6.06061
33 4QYS PLP SEP 6.33484
34 3MN9 ATP 6.45161
35 1XG5 NAP 6.45161
36 3MN6 ATP 6.45161
37 5BVE 4VG 6.45161
38 3MMH SME 6.58683
39 3B4Y F42 6.66667
40 5ZBK AMP 6.89655
41 1BKC INN 6.91244
42 4IQY AR6 7.5
43 2WZF UDP 7.55556
44 2Q97 ATP 7.55556
45 1E1O LYS 7.55556
46 2FXU ATP 7.55556
47 4B1X ATP 7.55556
48 4PKG ATP 7.55556
49 1KXP ATP 7.55556
50 3SM2 478 7.57576
51 1P9P SAH 7.66284
52 2YPI PGA 7.69231
53 1ON3 DXX 7.8341
54 5BRE 4UZ 7.87402
55 5FSY AR6 7.89474
56 2FF3 ATP 8
57 1FFU CDP 8.01394
58 4ER2 IVA VAL VAL STA ALA STA 8.02603
59 2D1K ATP 8.07692
60 2A40 ATP 8.07692
61 5ZZB ATP 8.08823
62 3HYK A3P 8.19672
63 4O1M NAD 8.25397
64 2X61 NGA GAL SIA 8.44444
65 2PZI AXX 8.44444
66 2X61 CH 8.44444
67 3AFN NAP 8.52713
68 2ED4 FAD 8.72483
69 1RSG FAD 8.88889
70 2DPM SAM 8.88889
71 1OIV GDP 8.90052
72 2RHO GSP 8.92308
73 6CI9 NAP 9.26641
74 5ORG 6DB 9.5057
75 5OJI NAP 9.61539
76 5OJI ISN 9.61539
77 2VYN NAD 9.67742
78 1E5D FMN 9.77778
79 5YSS NAD 10.2222
80 4PKI ATP 10.4121
81 4Z94 ATP 10.6291
82 1Z17 ILE 10.7558
83 4GID 0GH 11.0599
84 1W5F G2P 11.1111
85 5NMX FAD 11.2941
86 3KV8 FAH 11.5108
87 5WAN FMN 11.5207
88 3F3E LEU 11.5207
89 3EYA TDP 11.5556
90 1QPB TPP 11.5556
91 1USI PHE 11.8497
92 5W7D PX8 11.9816
93 4H2D FMN 12.1212
94 5NWD 9C8 12.2449
95 2Q2V NAD 12.4424
96 2P3C 3TL 13.1313
97 3MN5 ATP 13.1579
98 1K3T BRZ 13.3641
99 6CUZ FEV 13.4021
100 6AM8 TRP 13.6364
101 6AMI TRP 13.6364
102 6AM8 PLT 13.6364
103 2PBD ATP 13.6691
104 2PAV ATP 13.6691
105 4BVA NDP 13.7313
106 3IQE F42 13.7809
107 5T79 NDP 13.8554
108 3RYC GTP 13.986
109 1GEE NAD 14.2222
110 5YEE ATP 15.4412
111 5ZZA ATP 15.7025
112 2Q89 6CS 16.4444
113 3SJH ATP 16.6667
114 2A3Z ATP 17.2414
115 4CBU ATP 17.3228
116 4CBX ATP 17.3228
117 4A0S NAP 18.6667
118 3ICR FAD 19.5556
119 3ICS FAD 19.5556
120 3ICT FAD 19.5556
121 5M45 AMP 20.2381
122 6H39 FGY 20.4444
123 2BTM PGA 20.6349
124 4B1V ATP 21.875
125 4B1V LAB 21.875
126 5YPU ATP 22.7273
127 4PL8 ATP 32.8767
128 3L9R L9R 36.7347
129 3IP6 PRO 43.8202
130 4WO4 JLS 45.1613
Pocket No.: 2; Query (leader) PDB : 5X2N; Ligand: ALA; Similar sites found with APoc: 183
This union binding pocket(no: 2) in the query (biounit: 5x2n.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3RS8 APR 2.66667
2 1GVF PGH 2.7972
3 4I4Z 2NE 3.11111
4 4LXQ TYD 3.28467
5 4LXQ FON 3.28467
6 2AOT SAH 3.55556
7 1JQD SAH 3.55556
8 1V8B NAD 4
9 4V15 PLP 4.14747
10 1XMV ADP 4.14747
11 4M3P HCS 4.14747
12 3GDH SAH 4.14938
13 3BBH SFG 4.39024
14 2VK4 TPP 4.39331
15 9LDT NAD 4.51807
16 1P9B IMO 4.52489
17 5I34 IMP 4.53515
18 2C29 NAP 4.74777
19 5N0J FAD 4.8433
20 4K2M O1G 4.88889
21 3HB5 NAP 4.89297
22 3Q9T FAY 5.02092
23 6CEP OXM 5.06912
24 6CEP NAD 5.06912
25 3HNC TTP 5.23013
26 5A1T NAI 5.33333
27 5A1T OXM 5.33333
28 2IV2 2MD 5.33333
29 5MDH NAD 5.40541
30 2O4C NAD 5.52995
31 1V7C HEY 5.52995
32 4IYO NAK 5.52995
33 1NZY BCA 5.57621
34 1JXZ BCA 5.57621
35 4I42 1HA 5.61404
36 2WGH DTP 5.63991
37 5EB4 FAD 5.77778
38 4JNA FAD 5.77778
39 1YQD NAP 5.77778
40 6GNA FAD 5.90278
41 5A3B APR 5.94059
42 2A92 NAI 5.99078
43 3IAE D7K 5.99078
44 3EEL 53T 6.1674
45 1GQ2 NAP 6.22222
46 4QIJ 1HA 6.28743
47 5THY SAH 6.41975
48 5YAK FMN 6.43939
49 1YNH SUO 6.45161
50 6GNC FAD 6.46258
51 1J0D 5PA 6.66667
52 1NV8 MEQ 6.66667
53 4B2D FBP 6.66667
54 3GGO ENO 6.6879
55 3GGO NAI 6.6879
56 3DCM SAM 6.77083
57 6EBQ FMN 6.875
58 4RJK TPP 6.91244
59 2JBZ COA 6.99301
60 4PVD NDP 7.01754
61 4CJX NAP 7.11111
62 1PZG A3D 7.37527
63 2Z6J FMN 7.53012
64 4R1S NAP 7.55556
65 5ZEC NAP 7.60234
66 2UVO NAG 7.60234
67 3GAY P6T 7.73994
68 1ZPD DPX 7.8341
69 4PLT NAI 7.8341
70 4PLT OXM 7.8341
71 2C42 TPP 8
72 2C42 PYR 8
73 2OHH FMN 8
74 1U7T TDT 8.04598
75 3GYQ SAM 8.08823
76 2VAP GDP 8.29493
77 3DCJ THH 8.37209
78 2B4Q NAP 8.44444
79 3AKK ADP 8.61539
80 4A22 TD4 8.72093
81 5GUD NDP 8.75576
82 5HMY LNY 8.75576
83 4X17 SIA SIA 8.82353
84 2FHK MFN 8.88889
85 1MXH DHF 9.05797
86 1MXH NAP 9.05797
87 3B8X G4M 9.21659
88 2RAB FAD 9.21659
89 2FJK 13P 9.21659
90 6DXS HJ7 9.35672
91 1QMG APX 9.54447
92 1XP8 AGS 9.67742
93 4Z3X MTE 9.67742
94 4Z3X 4KX 9.67742
95 1MDZ DCS 9.77778
96 1MDZ PLP 9.77778
97 1GV0 NAD 10.1382
98 5K6A NAP 10.1382
99 5JDI NAP 10.1382
100 5JCJ NAP 10.1382
101 3JQF NAP 10.1382
102 2VZ0 NAP 10.1382
103 2VZ0 D64 10.1382
104 3JQ7 NAP 10.1382
105 4CM8 NAP 10.1382
106 5JDC NAP 10.1382
107 3BMO NAP 10.1382
108 3JQG NAP 10.1382
109 3JQA NAP 10.1382
110 4CM9 NAP 10.1382
111 3JQ8 NAP 10.1382
112 3BMQ NAP 10.1382
113 4CM4 NAP 10.1382
114 3JQB NAP 10.1382
115 4CMI NAP 10.1382
116 2WD7 NAP 10.1382
117 3JQ9 NAP 10.1382
118 4CME NAP 10.1382
119 4CLO NAP 10.1382
120 3BMN NAP 10.1382
121 1UAY ADN 10.2222
122 2V5X V5X 10.2222
123 4U63 MHF 10.4121
124 3GDN HBX 10.5991
125 3GDN FAD 10.5991
126 3H4V NAP 10.5991
127 3H4V DVP 10.5991
128 2PO3 T4K 10.6667
129 1O69 X04 10.6667
130 5K0A FAD 10.6667
131 5DLY 5D7 10.9023
132 5DLY SAH 10.9023
133 1O6Z NAD 11.0599
134 4CNG SAH 11.0599
135 1E6W NAD 11.1111
136 1E3W NAD 11.1111
137 2ZFZ ARG 11.3924
138 1UYY BGC BGC 11.4504
139 4C2W ANP 11.5385
140 4CNE SAH 11.6105
141 4QC6 30N 11.7318
142 1XTP SAI 11.811
143 2A8X FAD 11.9816
144 4M52 FAD 11.9816
145 1SOW NAD 12
146 3QFA FAD 12.069
147 4HEQ FMN 12.3288
148 5GVH FMN 12.4424
149 4C0X FMN 12.4444
150 4C0X AQN 12.4444
151 6FRN FMN 12.4444
152 1U59 STU 12.5436
153 2NV2 GLN 12.7451
154 3F6R FMN 12.8378
155 5GM1 SAH 12.8889
156 2RDT 2RD 12.9199
157 2RDT FMN 12.9199
158 4IJP 1EH 13.3333
159 1GUZ NAD 13.3333
160 5UCD NAP 13.3641
161 2HJR APR 13.7195
162 4M5P FMN 14.2222
163 3VPH OXM 14.2857
164 3VPH NAD 14.2857
165 4OBW SAM 14.7465
166 1H74 ADP 15.2074
167 5WS9 AMP 15.3684
168 2YY8 SAM 15.4229
169 2JDU MFU 15.6522
170 1A5Z NAD 15.6682
171 1LSS NAD 15.7143
172 1BWV CAP 15.942
173 2FWP CIT 16.9399
174 1S7G NAD 17.3913
175 1QO0 BMD 18.3673
176 2UZ2 BTN 18.4615
177 2JAH NDP 19.0283
178 2GJN FMN 19.8171
179 2JAP NDP 20.6478
180 2DC1 CIT 22.4576
181 5FUI APY 22.7273
182 5EIB GTP 26.087
183 4PZ6 GMP 28.5714
Pocket No.: 3; Query (leader) PDB : 5X2N; Ligand: ALA; Similar sites found with APoc: 59
This union binding pocket(no: 3) in the query (biounit: 5x2n.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3NT6 FAD 3.13808
2 4X9M FAD 3.82775
3 3WG6 NDP 4
4 5CJF 520 4.44444
5 4ZVV NAD 4.60829
6 4ZVV GN0 4.60829
7 3X0V FAD 4.60829
8 4WOP CTP 4.88889
9 5FI3 NAP 5.04202
10 2GN4 NDP 5.52326
11 2GN4 UD1 5.52326
12 2DKD NG1 5.52995
13 3CV3 UDP 5.52995
14 2FCR FMN 6.35838
15 5A04 BGC 6.45161
16 5A04 NDP 6.45161
17 2WC1 FMN 6.59341
18 4H8N NDP 6.66667
19 5UIJ TYD 6.66667
20 4IMG NGF 6.66667
21 4NG2 OHN 7.07965
22 4XRZ SI6 7.11111
23 4RQU NAD 7.11111
24 1AG9 FMN 7.42857
25 2NPX NAD 7.55556
26 2NPX FAD 7.55556
27 1MV8 NAD 7.55556
28 4YNU LGC 7.8341
29 5ZI2 NAD 7.8341
30 2PS1 ORO 7.9646
31 2PS1 PRP 7.9646
32 1Q8A HCS 8
33 4GA6 AMP 8
34 1OZH HE3 8.29493
35 5JJR 68E 8.75576
36 2WR9 MAN MAN 9.375
37 4Z87 GDP 9.77778
38 3N39 FMN 9.80392
39 2JDC CAO 10.274
40 3BOF HCS 11.0599
41 1F0X FAD 11.0599
42 5LMC FMN 11.5207
43 1QPB PYM 11.5556
44 5ZCT ANP 11.7647
45 1EZ0 NAP 12
46 3MAX LLX 12
47 3KAP FMN 12.2449
48 5O3Q CMP 12.5
49 3IQE H4M 13.7809
50 1TLL FMN 13.8249
51 1T0S BML 13.9535
52 2NSJ C2R 14.2012
53 5N9Z CAP 15.1079
54 3GFS FMN 16.092
55 1EZ4 NAD 16.5899
56 2FWP ICR 16.9399
57 2J9D ADP 19.3277
58 4REP FAD 20.7373
59 3QDJ ALA ALA GLY ILE GLY ILE LEU THR VAL 47.0046
Pocket No.: 4; Query (leader) PDB : 5X2N; Ligand: ALA; Similar sites found with APoc: 29
This union binding pocket(no: 4) in the query (biounit: 5x2n.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4RGQ 13P 4
2 2DXU BT5 5.06912
3 1SW0 PGA 5.06912
4 1QDS PGA 5.06912
5 4RF2 NAP 5.51471
6 3PPM JG1 5.77778
7 1V1A ADP 5.82524
8 3MN7 ATP 6.45161
9 6HOY AR6 6.62252
10 4QAC KK3 6.91244
11 3V1Y NAD 7.11111
12 5YGE ACO 7.47126
13 2V51 ATP 7.55556
14 2IV3 UDP 7.8341
15 4G6I RS3 8
16 4LY9 S6P 8.45987
17 4LY9 1YY 8.45987
18 5EPO NAP 8.77863
19 3HGM ATP 8.84354
20 3TN7 NJP 9.33852
21 5JWC FAD 10.6695
22 5W7D MYR 11.9816
23 1M26 GAL A2G 12.782
24 5VSM 5AD 13.8249
25 5AHW CMP 14.966
26 1U3U NAD 15.1111
27 1U3U BNF 15.1111
28 5T2U NAP 17.7419
29 3ICT ADP 19.5556
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