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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;
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 286 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 209 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 174 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: 71
No: Ligand ECFP6 Tc MDL keys Tc
1 THR TYR PHE ALA VAL LEU MET VAL SER 1 1
2 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.558824 0.839286
3 ALA VAL TYR ASN PHE ALA THR MET 0.541353 0.877193
4 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.525547 0.842105
5 LYS ALA LEU TYR ASN PHE ALA THR MET 0.510345 0.866667
6 LYS ALA VAL TYR ASN PHE ALA THR MET 0.506944 0.866667
7 SER LEU PHE ASN THR ILE ALA VAL LEU 0.5 0.754386
8 PHE TYR ARG ALA LEU MET 0.485714 0.790323
9 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.485075 0.77193
10 GLY LEU MET TRP LEU SER TYR PHE VAL 0.483221 0.84127
11 TYR SER THR CYS TYR PHE ILE MET 0.481752 0.945455
12 LYS ALA VAL TYR ASN LEU ALA THR MET 0.479452 0.833333
13 ALA GLU THR PHE TYR VAL ASP GLY 0.479339 0.811321
14 PHE SER ALA PTR VAL SER GLU GLU ASP 0.477612 0.741935
15 THR LYS CYS VAL PHE MET 0.477273 0.810345
16 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.475862 0.859649
17 SER LEU TYR LEU THR VAL ALA THR LEU 0.473282 0.818182
18 GLU VAL TYR GLU SER 0.471545 0.8
19 THR PHE ALY SER ILE MET LYS 0.469388 0.783333
20 FME TYR PHE ILE ASN ILE LEU THR LEU 0.458904 0.87931
21 ARG VAL LEU PHE GLU ALA MET 0.455172 0.646154
22 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.455172 0.821429
23 THR ASN GLU PHE TYR ALA 0.453846 0.77193
24 SER LEU TYR ASN VAL VAL ALA THR LEU 0.453237 0.789474
25 ALA PHE THR SER 0.452174 0.754717
26 VAL GLN GLN GLU SER SER PHE VAL MET 0.451852 0.824561
27 LYS ALA VAL PHE ASN PHE ALA THR MET 0.451389 0.816667
28 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.450382 0.666667
29 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.449664 0.816667
30 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.447368 0.651515
31 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.447368 0.692308
32 PHE LEU ALA TYR LYS 0.44697 0.789474
33 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.446154 0.781818
34 SER LEU TYR ASN THR VAL ALA THR LEU 0.446043 0.789474
35 SER LEU PHE ASN THR VAL ALA THR LEU 0.446043 0.736842
36 ASP SEP TYR GLU VAL LEU ASP LEU 0.442953 0.703125
37 LEU VAL THR LEU VAL PHE VAL 0.440945 0.735849
38 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.439716 0.810345
39 ACE PHE ALA TYR M3L SER NH2 0.439394 0.825397
40 VAL ALA PHE ARG SER 0.438462 0.655738
41 PHE LEU SER TYR LYS 0.43609 0.859649
42 GLY LEU TYR ALA SER LYS LEU ALA 0.432836 0.810345
43 GLY ASN TYR SER PHE TYR ALA LEU 0.42963 0.79661
44 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.428571 0.753846
45 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.428571 0.775862
46 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.426667 0.671875
47 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.425532 0.692308
48 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.425532 0.79661
49 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.425532 0.789474
50 SER LEU ARG PHE LEU TYR GLU GLY 0.424658 0.765625
51 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.423611 0.793103
52 VAL MET ALA PRO ARG THR LEU PHE LEU 0.423313 0.618421
53 THR TYR LYS PHE PHE GLU GLN 0.422222 0.762712
54 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.422222 0.762712
55 THR PHE GLN ALA PSA LEU ARG GLU 0.421384 0.681818
56 CYS VAL PHE MET 0.419355 0.777778
57 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.414966 0.79661
58 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.414474 0.774194
59 GLU THR VAL ARG PHE GLN SER ASP 0.413333 0.68254
60 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.412162 0.779661
61 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.412121 0.735294
62 GLY ILE LEU GLY PHE VAL PHE THR LEU 0.409722 0.77193
63 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.409722 0.775862
64 ALA VAL ALA PHE TYR ILE PRO ASP GLN ALA 0.409722 0.647059
65 LYS MET ASN THR GLN PHE THR ALA VAL 0.407895 0.770492
66 GLU THR PHE TYR VAL ASP GLY 0.407143 0.810345
67 PHQ LEU VAL ARG TYR 0.405594 0.707692
68 SER LEU TYR ASN THR ILE ALA THR LEU 0.402778 0.793103
69 ALA ILE PHE GLN SER SER MET THR LYS 0.4 0.770492
70 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.4 0.758621
71 LEU ALA ILE TYR SER 0.4 0.8
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 with APoc: 99
This union binding pocket(no: 1) in the query (biounit: 5kvm.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 5YZ2 AMP 2.08333
2 5OF1 SAL 3.15789
3 1XT8 CYS 3.15789
4 4D3S BOG 3.15789
5 4PTN PYR 3.207
6 2Q37 3AL 3.31492
7 5EPL 5R0 PHE ALA LEU ELY 5R5 3.33333
8 3KIF GDL 3.77358
9 1KQR MNA 3.91061
10 3UDG TMP 4.21053
11 2BD0 BIO 4.21053
12 3GD8 GOL 4.21053
13 2P3I MNA 4.34783
14 1QCI ADE 4.58015
15 5FPE 3TR 5.26316
16 5CX6 CDP 5.26316
17 4FLP JQ1 5.26316
18 2R0D 4IP 5.26316
19 2R09 4IP 5.26316
20 6MJ7 ARG 5.45455
21 5EQ0 5R0 PHE ALA LEU ELY 5R5 5.45455
22 6BJO DUY 5.6
23 2ZL4 ALA ALA ALA ALA 6.12245
24 3IP6 PRO 6.17978
25 3SJK LYS PRO VAL LEU ARG THR ALA 6.31579
26 3A3B RBF 6.31579
27 4HE2 AMP 6.31579
28 4IJ6 SEP 6.31579
29 6FA4 D1W 6.31579
30 1B4P GPS 6.45161
31 3QX9 ATP 6.52174
32 3G5K BB2 6.55738
33 3I7V B4P 6.71642
34 4DR9 BB2 6.77083
35 1SQL GUN 6.84932
36 6AYI C3G 7.03518
37 2Z3U CRR 7.36842
38 3PPQ CHT 7.36842
39 4JLS 3ZE 7.36842
40 5OKT 9XK 7.36842
41 4PYW ACE THR THR ALA ILE NH2 7.36842
42 5WHT SIA 7.36842
43 1W2D ADP 7.36842
44 1VRP IOM 7.36842
45 3G2Y GF4 7.36842
46 5XEG AKG 8.22511
47 3BP1 GUN 8.27586
48 5C9J DAO 8.42105
49 4UYW H1S 8.42105
50 2HBL AMP 8.42105
51 1XK5 TPG 8.42105
52 1PNF NDG NAG 8.42105
53 4QHP 32R 8.42105
54 5OES ADP 8.42105
55 1ZX5 LFR 8.42105
56 2EB5 OXL 8.42105
57 1KZL CRM 8.42105
58 1XXR MAN 8.42105
59 3HZT J60 8.42105
60 4KAX 4IP 8.42105
61 2W5P CL8 8.72483
62 5GZZ GSH 9.47368
63 6E1Q CFA 9.47368
64 4M3P HCS 9.47368
65 5E9G GLV 9.47368
66 6EOM ALA LYS 9.47368
67 2WBV SIA 9.47368
68 5AIG VPR 9.6
69 1FQK ALF 10.5263
70 3H0L ADP 10.5263
71 1X8X TYR 10.5263
72 3PTG 932 10.5263
73 6C4A PYR 10.5263
74 3SBZ MLI 11.1111
75 4RF7 ARG 11.5789
76 4MN3 ACE PHE ALA TYR M3L SER NH2 12.5
77 6GNO XDI 12.6316
78 1GPM AMP 12.6316
79 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 13.6842
80 1J71 THR ILE THR SER 13.6842
81 1W0H AMP 13.6842
82 4RDN 6MD 13.6842
83 1VG0 GER 13.6842
84 2OKL BB2 14.0541
85 3QDV NDG 14.6853
86 4C2C ALA ALA ALA 14.7368
87 4C2G ALA ALA ALA ALA 14.7368
88 1IZC PYR 14.7368
89 5WS9 OXL 14.7368
90 3F5A SIA GAL NAG 15.7895
91 3S6X SIA GAL BGC 15.7895
92 1PVC ILE SER GLU VAL 17.6471
93 1NBU PH2 17.6471
94 2XIQ 5AD 17.8947
95 1GY8 UDP 18.9474
96 4HPP GLU 21.0526
97 3KO0 TFP 24.7525
98 2ZWS PLM 27.3684
99 5EZ1 ICB 29.4737
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