Receptor
PDB id Resolution Class Description Source Keywords
6EWA 2.39 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF HLA-A2 IN COMPLEX WITH LILRB1 HOMO SAPIENS LILRB1 PEPTIDE-MHC COMPLEX HLA-A2 PEPTIDE CONFORMATION CRYSTALLISATION CHAPERONE IMMUNE SYSTEM
Ref.: APPLICATION OF THE IMMUNOREGULATORY RECEPTOR LILRB1 CRYSTALLISATION CHAPERONE FOR HUMAN CLASS I MHC COM J. IMMUNOL. METHODS V. 464 47 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ILE LEU LYS GLU PRO VAL HIS GLY VAL G:1;
C:1;
Valid;
Valid;
none;
none;
submit data
991.202 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X4T 2.3 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF MHC CLASS I HLA-A2.1 BOUND TO A PEIODATE-CLEAVABLE PEPTIDE HOMO SAPIENS MHC CLASS I IMMUNOGLOBULIN DOMAIN HOST-VIRUS INTERACTION GLYCATION AMYLOIDOSIS AMYLOID PHOTOCLEAVABLE PEPTIDE IMMUNE RESPONSE IMMUNE SYSTEM
Ref.: CLASS I MAJOR HISTOCOMPATIBILITY COMPLEXES LOADED BY A PERIODATE TRIGGER. J.AM.CHEM.SOC. V. 131 12305 2009
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 6EWA - ILE LEU LYS GLU PRO VAL HIS GLY VAL n/a n/a
2 6EWO - ARG THR PHE SER PRO THR TYR GLY LEU n/a n/a
3 2X4Q - MSE ILE LEU GLY PRV VAL PHE PRQ VAL n/a n/a
4 2X4T ic50 = 7.33 uM ASN LEU VAL PRW MET VAL ALA THR VAL n/a n/a
5 1IM3 - LEU LEU PHE GLY TYR PRO VAL TYR VAL n/a n/a
6 4N8V - MET LEU ILE TYR SER MET TRP GLY LYS n/a n/a
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 2DYP - ARG ILE ILE PRO ARG HIS LEU GLN LEU n/a n/a
2 6EWA - ILE LEU LYS GLU PRO VAL HIS GLY VAL n/a n/a
3 6EWO - ARG THR PHE SER PRO THR TYR GLY LEU n/a n/a
4 2X4Q - MSE ILE LEU GLY PRV VAL PHE PRQ VAL n/a n/a
5 2X4T ic50 = 7.33 uM ASN LEU VAL PRW MET VAL ALA THR VAL n/a n/a
6 1IM3 - LEU LEU PHE GLY TYR PRO VAL TYR VAL n/a n/a
7 4N8V - MET LEU ILE TYR SER MET TRP GLY LYS n/a n/a
8 6V3J - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
9 5B39 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
10 5T6Z - THR SER THR LEU GLN GLU GLN ILE GLY TRP n/a n/a
11 5T70 Kd = 102 uM THR SER ASN LEU GLN GLU GLN ILE GLY TRP n/a n/a
12 5B38 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
13 3VH8 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
14 4PGC - PHE ALA PRO GLY ASN TYI PRO ALA LEU n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 2DYP - ARG ILE ILE PRO ARG HIS LEU GLN LEU n/a n/a
2 6EWA - ILE LEU LYS GLU PRO VAL HIS GLY VAL n/a n/a
3 6EWO - ARG THR PHE SER PRO THR TYR GLY LEU n/a n/a
4 2X4Q - MSE ILE LEU GLY PRV VAL PHE PRQ VAL n/a n/a
5 2X4T ic50 = 7.33 uM ASN LEU VAL PRW MET VAL ALA THR VAL n/a n/a
6 1IM3 - LEU LEU PHE GLY TYR PRO VAL TYR VAL n/a n/a
7 4N8V - MET LEU ILE TYR SER MET TRP GLY LYS n/a n/a
8 6V3J - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
9 5B39 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
10 5T6Z - THR SER THR LEU GLN GLU GLN ILE GLY TRP n/a n/a
11 5T70 Kd = 102 uM THR SER ASN LEU GLN GLU GLN ILE GLY TRP n/a n/a
12 5B38 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
13 3VH8 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
14 4PGC - PHE ALA PRO GLY ASN TYI PRO ALA LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ILE LEU LYS GLU PRO VAL HIS GLY VAL; Similar ligands found: 112
No: Ligand ECFP6 Tc MDL keys Tc
1 ILE LEU LYS GLU PRO VAL HIS GLY VAL 1 1
2 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.828571 0.892308
3 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.59375 0.907692
4 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.560241 0.878788
5 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.556886 0.967213
6 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.530726 0.74026
7 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.516556 0.8125
8 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.509202 0.90625
9 GLU LEU PRO LEU VAL LYS ILE 0.506757 0.915254
10 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.506173 0.820895
11 SER HIS PRO ARG PRO ILE ARG VAL 0.5 0.828571
12 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.493976 0.907692
13 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.484076 0.916667
14 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.481928 0.835821
15 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.481481 0.818182
16 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.481481 0.818182
17 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.481481 0.808824
18 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.480769 0.852459
19 HIS SER ILE THR TYR LEU LEU PRO VAL 0.47929 0.828571
20 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.478261 0.80303
21 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.477419 0.779412
22 LYS ARG ARG ARG HIS PRO SER GLY 0.471698 0.757143
23 HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 0.471264 0.8
24 LYS PRO HIS SER ASP 0.469799 0.830769
25 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.469136 0.716216
26 LYS PRO VAL LEU ARG THR ALA 0.467949 0.768116
27 HIS HIS ALA SER PRO ARG LYS 0.466667 0.768116
28 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.465409 0.782609
29 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.461957 0.84058
30 GLU LYS VAL HIS VAL GLN 0.458904 0.847458
31 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.458824 0.757143
32 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.454545 0.808824
33 LEU PHE GLY TYR PRO VAL TYR VAL 0.453416 0.818182
34 SER SER GLY LYS VAL PRO LEU SER 0.453333 0.815385
35 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.452381 0.885246
36 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.451429 0.782609
37 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.450777 0.76
38 LYS ARG ARG ARG HIS PRO SER 0.446541 0.764706
39 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.445783 0.820895
40 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.445055 0.823529
41 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.444444 0.784615
42 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.441718 0.833333
43 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.440994 0.815385
44 THR THR ALA PRO SER LEU SER GLY LYS 0.440252 0.791045
45 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.438272 0.848485
46 GLU ALA ASP PRO THR GLY HIS SER TYR 0.438202 0.8
47 LYS VAL ALA PRO PRO ILE PRO HIS ARG 0.4375 0.848485
48 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.436047 0.702703
49 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.433735 0.830769
50 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.433121 0.830769
51 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.432749 0.8
52 GLY HIS ARG PRO 0.431507 0.84375
53 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.429412 0.787879
54 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.428571 0.8
55 THR THR ALA PRO PHE LEU SER GLY LYS 0.426901 0.794118
56 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.426829 0.772727
57 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.426136 0.888889
58 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.426136 0.8
59 SER ARG ASP HIS SER ARG THR PRO MET 0.424581 0.76
60 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.423913 0.794118
61 SER SER GLY LYS VAL PRO LEU 0.423841 0.828125
62 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.423729 0.84058
63 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.423729 0.757143
64 LEU PRO PHE GLU LYS SER THR VAL MET 0.422857 0.760563
65 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.422857 0.84058
66 PHE SER HIS PRO GLN ASN THR 0.422619 0.808824
67 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.419753 0.818182
68 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.41954 0.794118
69 LEU SER SER PRO VAL THR LYS SER PHE 0.419162 0.776119
70 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.41875 0.825397
71 TYR PRO LYS ARG ILE ALA 0.418182 0.797101
72 ACE ALA PRO GLN VAL STA VAL MET HIS PRO 0.417143 0.814286
73 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.416667 0.811594
74 MET THR SER ALA ILE GLY ILE LEU PRO VAL 0.416667 0.757143
75 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.416667 0.859375
76 ARG VAL ALA SER PRO THR SER GLY VAL 0.416149 0.732394
77 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.415789 0.727273
78 ASN ARG PRO ILE LEU SER LEU 0.415094 0.785714
79 ARG PRO LYS PRO LEU VAL ASP PRO 0.414474 0.8
80 TYR TYR SER ILE ILE PRO HIS SER ILE 0.414201 0.802817
81 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.414201 0.80303
82 ARG PRO LYS ARG ILE ALA 0.414013 0.815385
83 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.411392 0.772727
84 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.410959 0.754098
85 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.410256 0.828125
86 PHE PRO THR LYS ASP VAL ALA LEU 0.409357 0.818182
87 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.409091 0.769231
88 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.409091 0.764706
89 ARG ALA HIS SEP SER PRO ALA SER LEU GLN 0.408284 0.791667
90 SER SER TYR ARG ARG PRO VAL GLY ILE 0.408046 0.756757
91 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.407821 0.888889
92 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.40678 0.675676
93 ARG LEU TYR HIS SEP LEU PRO ALA 0.406593 0.7
94 LYS THR PHE PRO PRO THR GLU PRO LYS 0.405882 0.80303
95 ALA ASN SER ARG HIS PRO THR SER ILE ILE 0.405882 0.802817
96 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.405556 0.767123
97 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.405405 0.788732
98 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.405263 0.808824
99 HIS VAL GLY PRO ILE ALA 0.405229 1
100 PHE ASN ARG PRO VAL 0.405063 0.80597
101 ARG PRO MET THR TYR LYS GLY ALA LEU 0.404255 0.727273
102 SER PRO LYS ARG ILE ALA 0.402597 0.764706
103 ILE GLU GLU ALA LEU GLN ILE ILE HIS SER 0.402439 0.806452
104 SER HIS SEP SER PRO ALA SER LEU GLN 0.402235 0.791667
105 DHI PRO PHE HIS LEU LEU VAL TYR 0.402235 0.848485
106 ACE PRO LEU HIS SER TPO 0.401274 0.746667
107 SER MET PRO GLU LEU SER PRO VAL LEU 0.401274 0.782609
108 5JP PRO LYS ARG ILE ALA 0.401274 0.742857
109 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.40113 0.675676
110 SER HIS LYS ILE ASP ASN LEU ASP 0.4 0.8
111 GLU LYS PRO SER SER SER 0.4 0.753846
112 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.4 0.820895
Similar Ligands (3D)
Ligand no: 1; Ligand: ILE LEU LYS GLU PRO VAL HIS GLY VAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2X4T; Ligand: ASN LEU VAL PRW MET VAL ALA THR VAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2x4t.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback