Receptor
PDB id Resolution Class Description Source Keywords
1US4 1.75 Å NON-ENZYME: SIGNAL_HORMONE PUTATIVE GLUR0 LIGAND BINDING CORE WITH L-GLUTAMATE THERMUS THERMOPHILUS RECEPTOR MEMBRANE PROTEIN GLUTAMATE RECEPTOR GLUR0 L-GLURIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUGENOMICS
Ref.: STRUCTURE OF THE THERMUS THERMOPHILUS PUTATIVE PERI GLUTAMATE/GLUTAMINE-BINDING PROTEIN ACTA CRYSTALLOGR.,SECT.D V. 60 1846 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1314;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GLU A:1313;
Valid;
none;
submit data
147.129 C5 H9 N O4 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1US5 1.5 Å NON-ENZYME: SIGNAL_HORMONE PUTATIVE GLUR0 LIGAND BINDING CORE WITH L-GLUTAMATE THERMUS THERMOPHILUS RECEPTOR MEMBRANE PROTEIN GLUTAMATE RECEPTOR GLUR0 L-GLUTAMATE RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS
Ref.: STRUCTURE OF THE THERMUS THERMOPHILUS PUTATIVE PERIPLASMIC GLUTAMATE/GLUTAMINE-BINDING PROTEIN ACTA CRYSTALLOGR.,SECT.D V. 60 1846 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1US5 - GLU C5 H9 N O4 C(CC(=O)O)....
2 1US4 - GLU C5 H9 N O4 C(CC(=O)O)....
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 1US5 - GLU C5 H9 N O4 C(CC(=O)O)....
2 1US4 - GLU C5 H9 N O4 C(CC(=O)O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 1US5 - GLU C5 H9 N O4 C(CC(=O)O)....
2 1US4 - GLU C5 H9 N O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU 1 1
2 DGL 1 1
3 GGL 1 1
4 GLN 0.62963 0.821429
5 DGN 0.62963 0.821429
6 ONL 0.586207 0.821429
7 UN1 0.566667 0.96
8 11C 0.566667 0.96
9 HCS 0.555556 0.714286
10 HGA 0.53125 0.666667
11 NPI 0.53125 0.923077
12 HSE 0.518519 0.758621
13 DAB 0.518519 0.666667
14 MEQ 0.515152 0.71875
15 3O3 0.513514 0.727273
16 API 0.5 0.884615
17 NVA 0.5 0.740741
18 ASP 0.481481 0.846154
19 DAS 0.481481 0.846154
20 TNA 0.463415 0.685714
21 ABA 0.461538 0.692308
22 DSN 0.461538 0.655172
23 DBB 0.461538 0.692308
24 SER 0.461538 0.655172
25 RGP 0.459459 0.648649
26 ORN 0.451613 0.689655
27 HOZ 0.451613 0.666667
28 AE5 0.447368 0.727273
29 DCY 0.444444 0.642857
30 CYS 0.444444 0.642857
31 C2N 0.444444 0.666667
32 NLE 0.4375 0.689655
33 S2G 0.433333 0.653846
34 2HG 0.433333 0.653846
35 ASN 0.428571 0.677419
36 26P 0.428571 0.857143
37 3GC 0.425 0.705882
38 MET 0.424242 0.625
39 MSE 0.424242 0.606061
40 DLY 0.424242 0.666667
41 MED 0.424242 0.625
42 BIX 0.418605 0.631579
43 MF3 0.416667 0.625
44 CBH 0.414634 0.774194
45 LYS 0.411765 0.645161
46 DHH 0.411765 0.851852
47 SHR 0.409091 0.774194
48 2NP 0.405405 0.71875
49 LEU 0.4 0.642857
50 5OY 0.4 0.648649
51 AS2 0.4 0.84
52 2JJ 0.4 0.648649
53 ONH 0.4 0.611111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1US5; Ligand: GLU; Similar sites found: 90
This union binding pocket(no: 1) in the query (biounit: 1us5.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4REP FAD 0.04078 0.40173 1.27389
2 2Q8M AMP 0.00585 0.41019 1.91083
3 2WET FAD 0.03443 0.40813 1.91083
4 4XDY NAI 0.01936 0.40498 1.91083
5 3CTY FAD 0.04766 0.40237 1.91083
6 4Q4K FMN 0.01034 0.41692 2.2293
7 3TWO NDP 0.02411 0.40959 2.2293
8 4RKC PMP 0.008249 0.4056 2.2293
9 2WTX VDO 0.03277 0.40381 2.53165
10 2WTX UDP 0.03133 0.40381 2.53165
11 1FNZ A2G 0.01822 0.40052 2.53165
12 2HK9 NAP 0.006999 0.42516 2.54545
13 1SB8 UD2 0.04516 0.43324 2.54777
14 5E4R NAP 0.01603 0.41164 2.54777
15 5NB7 8NQ 0.01336 0.40696 2.6087
16 1I1N SAH 0.02058 0.40499 2.65487
17 1JBW TMF 0.02792 0.40426 2.86624
18 1JBW ACQ 0.02577 0.40379 2.86624
19 4BHN BH9 0.0155 0.40054 2.86624
20 1Q8S MAN MMA 0.01662 0.40279 3.1746
21 2GND MAN 0.0164 0.40271 3.1746
22 2C7G ODP 0.03593 0.41537 3.18471
23 2C7G FAD 0.03696 0.41537 3.18471
24 4DQ2 BTX 0.04492 0.41391 3.18471
25 4R74 F6P 0.007069 0.41292 3.18471
26 4M52 FAD 0.04102 0.40417 3.18471
27 4PIV 2W4 0.0118 0.40248 3.18471
28 4PIV NDP 0.02339 0.40225 3.18471
29 1CT9 GLN 0.002249 0.41953 3.50318
30 2BLE 5GP 0.01105 0.4183 3.50318
31 3QF7 ANP 0.01403 0.41575 3.50318
32 4AF0 IMP 0.002874 0.43895 3.82166
33 2UUU PL3 0.03655 0.41627 3.82166
34 2E5V FAD 0.03001 0.41369 3.82166
35 1U2Z SAH 0.01661 0.40241 3.82166
36 3QKT ANP 0.01804 0.40222 3.82166
37 4PPF FLC 0.002022 0.45243 4.14013
38 1QM5 GLC GLC GLC PO4 SGC GLC 0.02569 0.40609 4.14013
39 2IV3 UDP 0.01214 0.40558 4.14013
40 4G86 BNT 0.008174 0.41096 4.22535
41 2RGO FAD 0.03562 0.40292 4.4586
42 2F5Z FAD 0.03905 0.40611 4.6875
43 2BVL GLC 0.01876 0.4014 4.77707
44 2BVL UDP 0.01876 0.4014 4.77707
45 1NVM NAD 0.03204 0.40125 4.77707
46 5AYV NAP 0.01551 0.4054 4.85437
47 4P8K 38C 0.04813 0.40585 5.09554
48 3LAD FAD 0.03936 0.40511 5.09554
49 4GKV NAD 0.03046 0.40341 5.09554
50 4NZ6 DLY 0.008203 0.41428 5.11182
51 5XDT MB3 0.009945 0.42678 5.19481
52 1RQJ RIS 0.01768 0.40412 5.41401
53 4YRY FAD 0.04637 0.40139 5.43478
54 1LYX PGA 0.02835 0.40602 5.64516
55 4Z24 FAD 0.02718 0.41347 5.73248
56 2IDX ATP 0.003982 0.42023 6.12245
57 4GJ3 0XP 0.0258 0.4026 6.36943
58 3WLE NAD 0.02323 0.41142 6.45161
59 4JB1 NAP 0.04023 0.40854 6.6879
60 4JB1 FAD 0.04154 0.40854 6.6879
61 1IDA 0PO 0.02382 0.40986 7.07071
62 1QF9 C5P 0.03499 0.40137 7.2165
63 1QF9 ADP 0.03499 0.40137 7.2165
64 1QF9 ALF 0.03499 0.40137 7.2165
65 4GUT FAD 0.04147 0.40709 7.25806
66 3RGG AIR 0.01072 0.40216 7.54717
67 2RAB FAD 0.03125 0.41198 7.64331
68 5A5W GUO 0.02308 0.41446 7.90514
69 4CNK FAD 0.01377 0.42497 8.28025
70 5ECP ATP 0.03236 0.40954 8.52018
71 5ECP JAA 0.02996 0.40954 8.52018
72 1VDC FAD 0.03003 0.41523 8.9172
73 3GDN HBX 0.01065 0.44112 9.23567
74 4Y2H SAH 0.04222 0.40095 9.23567
75 4YSX FAD 0.02898 0.41029 9.61539
76 5UAO FAD 0.02426 0.41426 10.1911
77 3WGT FAD 0.03798 0.40986 10.1911
78 3WGT QSC 0.04752 0.40543 10.1911
79 2WPF WPF 0.03312 0.43451 10.828
80 2WPF FAD 0.03256 0.43451 10.828
81 3AD8 NAD 0.00871 0.4308 11.33
82 1ZFJ IMP 0.0115 0.40671 12.1019
83 1E1M FAD 0.009529 0.44516 13.0573
84 1E6E FAD 0.0058 0.44191 13.0573
85 1G8S MET 0.008872 0.41475 13.913
86 4J56 FAD 0.01847 0.42385 14.0351
87 3CR3 ADP 0.00905 0.41165 15.7025
88 5EZ7 FAD 0.03463 0.4054 15.9236
89 2BES RES 0.004642 0.4148 26.1628
90 1NVT NAP 0.01021 0.41571 27.5261
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