-->
Receptor
PDB id Resolution Class Description Source Keywords
1II5 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE GLUR0 LIGAND BINDING CORE COMPLEX W GLUTAMATE SYNECHOCYSTIS SP. PCC 6803 SUBSTR. KAZORGANISM_TAXID: 1111708 MEMBRANE PROTEIN
Ref.: MECHANISMS FOR LIGAND BINDING TO GLUR0 ION CHANNELS STRUCTURES OF THE GLUTAMATE AND SERINE COMPLEXES AN CLOSED APO STATE. J.MOL.BIOL. V. 311 815 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU A:999;
Valid;
none;
Kd = 240 nM
147.129 C5 H9 N O4 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1II5 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE GLUR0 LIGAND BINDING CORE COMPLEX W GLUTAMATE SYNECHOCYSTIS SP. PCC 6803 SUBSTR. KAZORGANISM_TAXID: 1111708 MEMBRANE PROTEIN
Ref.: MECHANISMS FOR LIGAND BINDING TO GLUR0 ION CHANNELS STRUCTURES OF THE GLUTAMATE AND SERINE COMPLEXES AN CLOSED APO STATE. J.MOL.BIOL. V. 311 815 2001
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 1II5 Kd = 240 nM GLU C5 H9 N O4 C(CC(=O)O)....
2 1IIT - SER C3 H7 N O3 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 1205 families.
1 1II5 Kd = 240 nM GLU C5 H9 N O4 C(CC(=O)O)....
2 1IIT - SER C3 H7 N O3 C([C@@H](C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1II5 Kd = 240 nM GLU C5 H9 N O4 C(CC(=O)O)....
2 1IIT - SER C3 H7 N O3 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 GGL 1 1
2 GLU 1 1
3 DGL 1 1
4 DGN 0.62963 0.821429
5 GLN 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 NPI 0.53125 0.923077
11 HGA 0.53125 0.666667
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 NVA 0.5 0.740741
17 API 0.5 0.884615
18 DAS 0.481481 0.846154
19 ASP 0.481481 0.846154
20 TNA 0.463415 0.685714
21 DBB 0.461538 0.692308
22 ABA 0.461538 0.692308
23 DSN 0.461538 0.655172
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 C2N 0.444444 0.666667
31 CYS 0.444444 0.642857
32 NLE 0.4375 0.689655
33 2HG 0.433333 0.653846
34 S2G 0.433333 0.653846
35 ASN 0.428571 0.677419
36 26P 0.428571 0.857143
37 3GC 0.425 0.705882
38 DLY 0.424242 0.666667
39 MED 0.424242 0.625
40 MET 0.424242 0.625
41 MSE 0.424242 0.606061
42 BIX 0.418605 0.631579
43 MF3 0.416667 0.625
44 CBH 0.414634 0.774194
45 DHH 0.411765 0.851852
46 LYS 0.411765 0.645161
47 SHR 0.409091 0.774194
48 2NP 0.405405 0.71875
49 AS2 0.4 0.84
50 5OY 0.4 0.648649
51 ONH 0.4 0.611111
52 2JJ 0.4 0.648649
53 LEU 0.4 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1II5; Ligand: GLU; Similar sites found with APoc: 106
This union binding pocket(no: 1) in the query (biounit: 1ii5.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5AA4 6X4 1.28755
2 2QZX IVA VAL VAL STA ALA STA 2.57511
3 1V8B NAD 2.57511
4 3NJ4 NAD 2.57511
5 4UAL 3FV 2.57511
6 5M37 9SZ 2.6087
7 3FV3 IVA VAL VAL STA ALA STA 3.00429
8 4PQG UDP 3.00429
9 2IV2 2MD 3.00429
10 4IYO 0JO 3.00429
11 4IY7 KOU 3.00429
12 2PT9 S4M 3.00429
13 1BKC INN 3.43348
14 3EWR APR 3.57143
15 6APV 3L4 3.7037
16 2Q89 6CS 3.86266
17 3PFD FDA 3.86266
18 3DMH GMP 3.86266
19 3DMH SAM 3.86266
20 1JZS MRC 3.86266
21 5AYV KPL 3.86266
22 3FO2 BZH 3.93013
23 3EI9 PL6 4.29185
24 4IQY AR6 4.29185
25 4NVP 7CH 4.30622
26 2GMH FAD 4.72103
27 3T3C 017 5.05051
28 1UKW FAD 5.15021
29 4D81 ADP 5.15021
30 1ZXM ANP 5.15021
31 2HOX P1T 5.15021
32 1V3S ATP 5.17241
33 2XTS MTE 5.36585
34 1JQI FAD 5.5794
35 3N2S FMN 5.5794
36 4NKW PLO 5.5794
37 1P9P SAH 5.5794
38 2OI2 DP6 5.82192
39 5GVH FMN 6.00858
40 2P3C 3TL 6.06061
41 2P3B 3TL 6.06061
42 3S43 478 6.06061
43 2WK9 PLG 6.43777
44 4PW9 MSS 6.43777
45 5WA0 MSS 6.43777
46 6ES9 FAD 6.86695
47 4WXG 2BO 6.86695
48 2BVE PH5 7.56302
49 1O94 AMP 7.72532
50 5ZEC NAP 7.72532
51 1SOX MTE 7.72532
52 2A9D MTE 7.72532
53 1EGD FAD 8.58369
54 6AMI TRP 8.58369
55 1N07 FMN 9.81595
56 2PLK P3D 10.3004
57 1XI9 PLP 11.588
58 1LAF ARG 12.0172
59 1D1G NDP 12.5
60 3JYY PPV 13.3047
61 3N26 ARG 13.7339
62 4XVX P33 FDA 13.7339
63 4XVX P6G FDA 13.7339
64 1F5V FMN 13.7339
65 1M5B BN1 14.5923
66 5KJK 6T1 16.309
67 5KJK SAM 16.309
68 1IZE IVA VAL VAL STA ALA STA 20.1717
69 1R27 MGD 21.4592
70 1SIV PSI 22.2222
71 5ORG 6DB 23.6052
72 2RC8 DSN 29.1845
73 4F2Q QUS 30.0429
74 1HSL HIS 30.9013
75 5DT6 GLU 30.9013
76 3OEN GLU 32.618
77 4YMX ARG 33.4764
78 5DEX GLY 35.1931
79 5DEX 5E0 35.1931
80 1PBQ DK1 35.1931
81 1XT8 CYS 36.9099
82 2VHA GLU 37.3391
83 2RCA GLY 37.3391
84 4DZ1 DAL 37.3391
85 6H1U ASP 38.6266
86 2YLN CYS 39.0558
87 4YKI GLY 39.485
88 4WXJ GLU 41.2017
89 5CC2 CKA 41.6309
90 4POW OP1 42.0601
91 3VV5 SLZ 42.0601
92 4JWX 1N4 42.4893
93 4KQP GLN 42.6724
94 5L9O GOP 42.9185
95 4IO2 GLU 43.3476
96 4C0R GDS 43.3476
97 6GPC ARG 43.6508
98 2YJP CYS 44.206
99 5IKB KAI 44.6352
100 4ZDM GLY 45.0644
101 3FV1 DYH 45.0644
102 5O4F 8VE 45.9227
103 5CMK GLU 46.3519
104 5CMK LY5 46.3519
105 1WDN GLN 46.9027
106 2PYY GLU 48.6842
Pocket No.: 2; Query (leader) PDB : 1II5; Ligand: GLU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1ii5.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback