Receptor
PDB id Resolution Class Description Source Keywords
5KVM 2.45 Å NON-ENZYME: SIGNAL_HORMONE EXTRACELLULAR REGION OF MOUSE GPR56/ADGRG1 IN COMPLEX WITH F MONOBODY MUS MUSCULUS ADHESION-GPCR MONOBODY PLL GAIN CELL ADHESION
Ref.: STRUCTURAL BASIS FOR REGULATION OF GPR56/ADGRG1 BY ALTERNATIVELY SPLICED EXTRACELLULAR DOMAINS NEURON V. 91 1292 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG A:905;
Invalid;
none;
submit data
408.404 n/a O=C(N...
NAG NAG BMA BMA A:901;
Invalid;
none;
submit data
584.572 n/a O=C(N...
NAG A:900;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
THR TYR PHE ALA VAL LEU MET VAL SER B:383;
Valid;
Atoms found LESS than expected: % Diff = 0.014;
submit data
1015.26 n/a S(CCC...
GOL A:907;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KVM 2.45 Å NON-ENZYME: SIGNAL_HORMONE EXTRACELLULAR REGION OF MOUSE GPR56/ADGRG1 IN COMPLEX WITH F MONOBODY MUS MUSCULUS ADHESION-GPCR MONOBODY PLL GAIN CELL ADHESION
Ref.: STRUCTURAL BASIS FOR REGULATION OF GPR56/ADGRG1 BY ALTERNATIVELY SPLICED EXTRACELLULAR DOMAINS NEURON V. 91 1292 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 5KVM - THR TYR PHE ALA VAL LEU MET VAL SER n/a n/a
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 5KVM - THR TYR PHE ALA VAL LEU MET VAL SER n/a n/a
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 5KVM - THR TYR PHE ALA VAL LEU MET VAL SER n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: THR TYR PHE ALA VAL LEU MET VAL SER; Similar ligands found: 77
No: Ligand ECFP6 Tc MDL keys Tc
1 THR TYR PHE ALA VAL LEU MET VAL SER 1 1
2 THR ASN LEU TYR MET LEU 0.580645 0.857143
3 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.543478 0.821429
4 ALA VAL TYR ASN PHE ALA THR MET 0.533333 0.859649
5 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.525547 0.839286
6 LYS ALA LEU TYR ASN PHE ALA THR MET 0.517483 0.833333
7 LYS ALA VAL TYR ASN PHE ALA THR MET 0.514085 0.833333
8 GLY LEU MET TRP LEU SER TYR PHE VAL 0.496644 0.83871
9 ALA GLU THR PHE TYR VAL ASP GLY 0.496183 0.8
10 LYS ALA VAL TYR ASN LEU ALA THR MET 0.493056 0.8
11 PHE TYR ARG ALA LEU MET 0.489209 0.774194
12 PHE SER ALA PTR VAL SER GLU GLU ASP 0.488722 0.737705
13 THR LYS CYS VAL PHE MET 0.48855 0.807018
14 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.481481 0.767857
15 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.472603 0.842105
16 GLU VAL TYR GLU SER 0.467742 0.796296
17 SER LEU TYR LEU THR VAL ALA THR LEU 0.465649 0.814815
18 ARG VAL LEU PHE GLU ALA MET 0.465278 0.630769
19 LYS ALA VAL PHE ASN PHE ALA THR MET 0.464789 0.783333
20 TYR SER THR CYS TYR PHE ILE MET 0.464286 0.944444
21 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.458333 0.803571
22 THR ASN GLU PHE TYR ALA 0.458015 0.754386
23 FME TYR PHE ILE ASN ILE LEU THR LEU 0.455782 0.862069
24 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.453333 0.8
25 PHE LEU ALA TYR LYS 0.450382 0.767857
26 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.450331 0.636364
27 VAL GLN GLN GLU SER SER PHE VAL MET 0.448529 0.807018
28 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.447368 0.676923
29 GLY LEU TYR ALA SER LYS LEU ALA 0.44697 0.807018
30 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.44697 0.649123
31 SER LEU TYR ASN VAL VAL ALA THR LEU 0.446043 0.77193
32 ALA PHE THR SER 0.444444 0.75
33 GLY ASN TYR SER PHE TYR ALA LEU 0.444444 0.779661
34 SER LEU PHE ASN THR ILE ALA VAL LEU 0.443662 0.724138
35 PHE LEU SER TYR LYS 0.439394 0.857143
36 SER LEU PHE ASN THR VAL ALA THR LEU 0.438849 0.719298
37 SER LEU TYR ASN THR VAL ALA THR LEU 0.438849 0.77193
38 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.43662 0.758621
39 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.43662 0.793103
40 VAL ALA PHE ARG SER 0.435115 0.639344
41 LEU VAL THR LEU VAL PHE VAL 0.434109 0.730769
42 ASP SEP TYR GLU VAL LEU ASP LEU 0.433333 0.698413
43 THR PHE GLN ALA PSA LEU ARG GLU 0.433121 0.666667
44 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.432836 0.728814
45 THR TYR LYS PHE PHE GLU GLN 0.432836 0.728814
46 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.43125 0.738462
47 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.428571 0.793103
48 ACE SER ALA VAL ALC HSO 0.427536 0.688525
49 VAL MET ALA PRO ARG THR LEU PHE LEU 0.425926 0.605263
50 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.423077 0.684211
51 LYS MET ASN THR GLN PHE THR ALA VAL 0.422819 0.737705
52 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.420732 0.720588
53 CYS VAL PHE MET 0.419355 0.773585
54 MET PHE SER ILE ASP ASN ILE LEU ALA 0.416107 0.810345
55 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.414966 0.775862
56 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.412587 0.767857
57 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.412162 0.793103
58 LEU PRO PHE GLU ARG ALA THR VAL MET 0.411765 0.605263
59 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.410596 0.770492
60 GLU LEU ARG ARG LYS MET MET TYR MET 0.409722 0.69697
61 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.409722 0.77193
62 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.408537 0.71875
63 ACE ALC ARG ALA MET CY1 SER LEU NH2 0.407895 0.707692
64 ACE PHE ALA TYR M3L SER NH2 0.407143 0.806452
65 ALA VAL ALA PHE TYR ILE PRO ASP GLN ALA 0.406897 0.641791
66 MET ABA LEU ARG MET THR ALA VAL MET 0.405594 0.671875
67 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.404762 0.745455
68 GLU LEU ASP LYS TYR ALA SER 0.404255 0.775862
69 GLU LEU LYS ARG LYS MET ILE TYR MET 0.402597 0.69697
70 THR PHE LYS LYS THR ASN 0.401515 0.639344
71 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.40146 0.719298
72 THR PHE ALY SER ILE MET LYS 0.40146 0.741379
73 GLU THR PHE TYR VAL ASP GLY 0.401408 0.807018
74 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.401316 0.762712
75 ALA ILE PHE GLN SER SER MET THR LYS 0.4 0.754098
76 LEU PRO PHE GLU LYS SER THR VAL MET 0.4 0.671429
77 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.4 0.727273
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KVM; Ligand: THR TYR PHE ALA VAL LEU MET VAL SER; Similar sites found: 63
This union binding pocket(no: 1) in the query (biounit: 5kvm.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XT8 CYS 0.04769 0.4008 3.15789
2 4D3S BOG 0.04071 0.40078 3.15789
3 4PTN PYR 0.03525 0.40431 3.207
4 5EPL 5R0 PHE ALA LEU ELY 5R5 0.01891 0.40358 3.33333
5 3KIF GDL 0.04212 0.40382 3.77358
6 1KQR MNA 0.02368 0.4269 3.91061
7 2BD0 BIO 0.02192 0.40957 4.21053
8 2P3I MNA 0.02271 0.42843 4.34783
9 1QCI ADE 0.02107 0.42007 4.58015
10 5CX6 CDP 0.02775 0.41372 5.26316
11 5FPE 3TR 0.03303 0.40758 5.26316
12 4FLP JQ1 0.04432 0.40438 5.26316
13 2R0D 4IP 0.04279 0.40345 5.26316
14 2R09 4IP 0.04889 0.4003 5.26316
15 5EQ0 5R0 PHE ALA LEU ELY 5R5 0.007994 0.42138 5.45455
16 2ZL4 ALA ALA ALA ALA 0.03494 0.40823 6.12245
17 3SJK LYS PRO VAL LEU ARG THR ALA 0.00787 0.44455 6.31579
18 3A3B RBF 0.01556 0.42272 6.31579
19 3QX9 ATP 0.04431 0.40284 6.52174
20 3G5K BB2 0.01542 0.40781 6.55738
21 3I7V B4P 0.00005368 0.50798 6.71642
22 4DR9 BB2 0.01628 0.40669 6.77083
23 4PYW ACE THR THR ALA ILE NH2 0.007679 0.40886 7.36842
24 1W2D ADP 0.03121 0.40314 7.36842
25 1VRP IOM 0.04416 0.40296 7.36842
26 3G2Y GF4 0.03539 0.40138 7.36842
27 3BP1 GUN 0.007284 0.42361 8.27586
28 5C9J DAO 0.006445 0.43808 8.42105
29 4UYW H1S 0.002175 0.438 8.42105
30 2HBL AMP 0.02029 0.431 8.42105
31 1XK5 TPG 0.02664 0.42067 8.42105
32 1PNF NDG NAG 0.02391 0.42051 8.42105
33 4QHP 32R 0.03494 0.40969 8.42105
34 1ZX5 LFR 0.0223 0.40652 8.42105
35 1KZL CRM 0.03208 0.40252 8.42105
36 1XXR MAN 0.04289 0.40196 8.42105
37 3HZT J60 0.03313 0.4018 8.42105
38 4KAX 4IP 0.04945 0.40003 8.42105
39 2W5P CL8 0.03819 0.40967 8.72483
40 5GZZ GSH 0.02499 0.41576 9.47368
41 5E9G GLV 0.03772 0.40655 9.47368
42 2WBV SIA 0.03747 0.40551 9.47368
43 5AIG VPR 0.02997 0.40781 9.6
44 1FQK ALF 0.01351 0.43235 10.5263
45 3H0L ADP 0.0204 0.41658 10.5263
46 1X8X TYR 0.01805 0.41532 10.5263
47 3PTG 932 0.02442 0.41248 10.5263
48 4MN3 ACE PHE ALA TYR M3L SER NH2 0.004066 0.43936 12.5
49 1GPM AMP 0.005701 0.45439 12.6316
50 5EPK 5R0 PHE ALA LEU ELY 5R5 0.01549 0.40771 12.7273
51 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 0.002851 0.47146 13.6842
52 1J71 THR ILE THR SER 0.01132 0.4368 13.6842
53 4RDN 6MD 0.03717 0.40677 13.6842
54 1VG0 GER 0.03062 0.40003 13.6842
55 2OKL BB2 0.01175 0.41003 14.0541
56 4C2C ALA ALA ALA 0.0001512 0.53389 14.7368
57 3F5A SIA GAL NAG 0.01542 0.42107 15.7895
58 3S6X SIA GAL BGC 0.03463 0.40081 15.7895
59 1PVC ILE SER GLU VAL 0.009728 0.43811 17.6471
60 2XIQ 5AD 0.04807 0.4007 17.8947
61 1GY8 UDP 0.01217 0.42404 18.9474
62 3KO0 TFP 0.03846 0.40665 24.7525
63 2ZWS PLM 0.03938 0.43527 27.3684
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