Receptor
PDB id Resolution Class Description Source Keywords
5EE7 2.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE HUMAN GLUCAGON RECEPTOR (GCGR) IN C WITH THE ANTAGONIST MK-0893 HOMO SAPIENS, ENTEROBACTERIA PHAGE T4 GPCR SIGNALING PROTEIN 7TM
Ref.: EXTRA-HELICAL BINDING SITE OF A GLUCAGON RECEPTOR ANTAGONIST. NATURE V. 533 274 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OLA A:1204;
A:1210;
A:1202;
A:1207;
A:1205;
A:1211;
A:1203;
A:1208;
A:1209;
A:1215;
A:1206;
A:1214;
A:1213;
A:1212;
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;
submit data
282.461 C18 H34 O2 CCCCC...
TLA A:1217;
Invalid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
5MV A:1201;
Valid;
none;
Kd = 0.97 nM
588.48 C32 H27 Cl2 N3 O4 C[C@@...
PE5 A:1216;
Invalid;
none;
submit data
398.489 C18 H38 O9 CCOCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EE7 2.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE HUMAN GLUCAGON RECEPTOR (GCGR) IN C WITH THE ANTAGONIST MK-0893 HOMO SAPIENS, ENTEROBACTERIA PHAGE T4 GPCR SIGNALING PROTEIN 7TM
Ref.: EXTRA-HELICAL BINDING SITE OF A GLUCAGON RECEPTOR ANTAGONIST. NATURE V. 533 274 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 5EE7 Kd = 0.97 nM 5MV C32 H27 Cl2 N3 O4 C[C@@H](c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 5EE7 Kd = 0.97 nM 5MV C32 H27 Cl2 N3 O4 C[C@@H](c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 5EE7 Kd = 0.97 nM 5MV C32 H27 Cl2 N3 O4 C[C@@H](c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5MV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 5MV 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EE7; Ligand: 5MV; Similar sites found: 79
This union binding pocket(no: 1) in the query (biounit: 5ee7.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZFZ ARG 0.008297 0.48347 None
2 3QKD HI0 0.004767 0.44641 1.10497
3 3AYI HCI 0.02664 0.43014 1.10619
4 3AYI FAD 0.02593 0.43014 1.10619
5 4C3Y ANB 0.04361 0.41478 1.10619
6 4C3Y FAD 0.04057 0.41256 1.10619
7 1I9G SAM 0.01993 0.4089 1.42857
8 3WGT FAD 0.03218 0.42497 1.72911
9 3WGT QSC 0.03313 0.42497 1.72911
10 3WVS RRM 0.02363 0.41071 1.74564
11 2CHG ANP 0.01823 0.40629 1.76991
12 5B4B LP5 0.02334 0.41697 2.01613
13 2B8W ALF 5GP 0.009632 0.42713 2.13415
14 4OMJ 2TX 0.03354 0.41428 2.15827
15 1P0H ACO 0.02366 0.43878 2.20126
16 1P0H COA 0.0322 0.43342 2.20126
17 4ZBR DIF 0.01882 0.41874 2.21239
18 4ZBR NPS 0.01796 0.41874 2.21239
19 1PMO PLR 0.01758 0.40574 2.21239
20 5ECP ATP 0.0106 0.4539 2.24215
21 5E72 SAM 0.01656 0.41376 2.31214
22 2OFW ADX 0.01884 0.43225 2.40385
23 4KCF AKM 0.008776 0.42852 2.43363
24 2R4J 13P 0.04193 0.4192 2.43363
25 2R4J FAD 0.04193 0.4192 2.43363
26 5HGZ ACO 0.0206 0.41055 2.46914
27 4RW3 SHV 0.01193 0.41468 2.64901
28 4Q9N NAI 0.04516 0.40394 2.68456
29 3CIF G3H 0.01736 0.42819 2.78552
30 3CIF NAD 0.01751 0.42299 2.78552
31 1M7G ADX 0.04298 0.41899 2.8436
32 1M7G AV2 0.02557 0.41899 2.8436
33 3R9C ECL 0.01224 0.4114 2.87081
34 2B4R AES 0.02349 0.41653 2.87611
35 2B4R NAD 0.02527 0.41577 2.87611
36 3UR0 SVR 0.03846 0.40347 2.87611
37 5HR5 ADP 0.02498 0.40226 2.87611
38 5THQ NDP 0.04547 0.40157 2.94118
39 1YRB GDP 0.01103 0.41905 3.05344
40 3L9R L9Q 0.02586 0.41761 3.06122
41 3L9R L9R 0.04049 0.40757 3.06122
42 1X6V ADP 0.02735 0.41326 3.09735
43 1OS1 ATP 0.02733 0.41273 3.09735
44 1OS1 PYR 0.02882 0.41269 3.09735
45 4KM2 ATR 0.0445 0.411 3.35196
46 4KM2 TOP 0.04614 0.411 3.35196
47 3G9E RO7 0.04816 0.40603 3.69004
48 5MFI LYS ARG LYS ARG LYS ARG LYS ARG 0.008768 0.47285 3.7037
49 2XN5 FUN 0.01063 0.41701 3.71429
50 4KVX ACO 0.01251 0.42858 3.84615
51 2P1C GG3 0.04174 0.40137 3.84615
52 1GHE ACO 0.02116 0.40485 3.9548
53 4RC8 STE 0.02151 0.41481 4.05405
54 4QJK COA 0.03001 0.40231 4.25532
55 1YUC EPH 0.0286 0.41079 4.31373
56 5J60 FAD 0.03561 0.41583 4.375
57 2P8U COA 0.01702 0.41688 5.0885
58 3NKS FAD 0.04781 0.40595 5.0885
59 2XTN GTP 0.0257 0.40389 5.12821
60 3LLI FAD 0.0089 0.43432 5.36398
61 2JFZ 003 0.02998 0.43128 5.4902
62 2JFZ DGL 0.04528 0.42289 5.4902
63 3LDW ZOL 0.01968 0.41985 5.53097
64 3LDW IPE 0.03522 0.40538 5.53097
65 5IF4 6AK 0.00866 0.44737 6.28931
66 3WV1 WHH 0.02591 0.42499 7.01754
67 5XDT MB3 0.04885 0.40141 8.11688
68 4DHY S41 0.01092 0.42665 8.95522
69 3KDU NKS 0.02712 0.42107 9.02527
70 4ITU 1HS 0.04966 0.40854 9.29368
71 3L1N PLM 0.01144 0.4034 10.8247
72 2D5Z L35 0.01859 0.45369 10.9589
73 2VZZ SCA 0.04367 0.40431 11.4679
74 4QJL COA 0.02659 0.40613 12.3404
75 5CSD ACD 0.0394 0.41036 13.2075
76 5DXV NAP 0.03227 0.40229 13.4615
77 4MNS 2AX 0.0198 0.4348 14.4654
78 1HTW ADP 0.01862 0.40439 17.0886
79 2DYR PGV 0.0075 0.44819 23.2143
Feedback