Receptor
PDB id Resolution Class Description Source Keywords
4N8V 2.5 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF KILLER CELL IMMUNOGLOBULIN-LIKE RECEPTO IN COMPLEX WITH HLA-A HOMO SAPIENS ANTIGEN PRESENTATION CELL LYSING KIR BINDING MEMBRANE KIACTIVATING KIR IMMUNE SYSTEM
Ref.: ACTIVATING KILLER CELL IMMUNOGLOBULIN-LIKE RECEPTOR BINDS TO HLA-A*11 PROC.NATL.ACAD.SCI.USA V. 111 2662 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET LEU ILE TYR SER MET TRP GLY LYS C:1;
F:1;
Valid;
Valid;
none;
none;
submit data
1129.44 n/a S(CCC...
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 222 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 (13)
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 5B39 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
9 5T6Z - THR SER THR LEU GLN GLU GLN ILE GLY TRP n/a n/a
10 5T70 Kd = 102 uM THR SER ASN LEU GLN GLU GLN ILE GLY TRP n/a n/a
11 5B38 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
12 3VH8 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
13 4PGC - PHE ALA PRO GLY ASN TYI PRO ALA LEU n/a n/a
50% Homology Family (13)
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 5B39 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
9 5T6Z - THR SER THR LEU GLN GLU GLN ILE GLY TRP n/a n/a
10 5T70 Kd = 102 uM THR SER ASN LEU GLN GLU GLN ILE GLY TRP n/a n/a
11 5B38 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
12 3VH8 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
13 4PGC - PHE ALA PRO GLY ASN TYI PRO ALA LEU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MET LEU ILE TYR SER MET TRP GLY LYS; Similar ligands found: 133
No: Ligand ECFP6 Tc MDL keys Tc
1 MET LEU ILE TYR SER MET TRP GLY LYS 1 1
2 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.660131 0.895522
3 GLY LEU MET TRP LEU SER TYR PHE VAL 0.608974 0.940298
4 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.595376 0.810811
5 SER SER VAL ILE GLY VAL TRP TYR LEU 0.584906 0.852941
6 ASP SER TRP LYS ASP GLY CYS TYR 0.574074 0.852941
7 GLU LEU LYS ARG LYS MET ILE TYR MET 0.572327 0.739726
8 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.568047 0.824324
9 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.563218 0.835616
10 SER SER VAL VAL GLY VAL TRP TYR LEU 0.556962 0.838235
11 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.556213 0.910448
12 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.552326 0.756757
13 SER LEU LEU MET TRP ILE THR GLN SER 0.546584 0.882353
14 GLU LEU ASN ARG LYS MET ILE TYR MET 0.541667 0.756757
15 SER LEU LEU MET TRP ILE THR GLN LEU 0.540373 0.882353
16 TYR TYR GLU SER GLY TRP LEU 0.534591 0.865672
17 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.534483 0.842857
18 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.527607 0.835821
19 SER LEU LEU MET TRP ILE THR GLN CYS 0.527273 0.882353
20 SER LEU LEU MET TRP ILE THR GLN ALA 0.52439 0.882353
21 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.517045 0.895522
22 ILE ASP TRP PHE GLU GLY LYS GLU 0.51497 0.820895
23 GLU LEU ARG ARG LYS MET MET TYR MET 0.506329 0.716216
24 ILE ASP TRP PHE ASP GLY LYS GLU 0.505952 0.794118
25 SER ARG TYR TRP ALA ILE ARG THR ARG 0.505747 0.797297
26 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.505682 0.783784
27 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.505495 0.884058
28 ILE ASP TRP PHE ASP GLY LYS ASP 0.50303 0.794118
29 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.497076 0.852941
30 GLU LEU GLU LYS TRP ALA SER 0.49375 0.820895
31 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.491228 0.826087
32 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.489691 0.775
33 SER LEU LEU MET TRP ILE THR GLN VAL 0.488235 0.867647
34 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.484848 0.823529
35 GLU LEU ASP LYS TRP ALA SER 0.484663 0.808824
36 PHE LEU SER TYR LYS 0.483221 0.791045
37 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.482759 0.84058
38 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.482233 0.772152
39 TYR TYR GLU SER ASP TRP LEU 0.481707 0.823529
40 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.481675 0.851351
41 ARG LEU TRP SER 0.470588 0.712329
42 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.470588 0.823529
43 ARG TYR PRO LEU THR PHE GLY TRP 0.46875 0.772152
44 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.464286 0.693333
45 GLU LEU ASP LYS TRP ALA ASN 0.463855 0.768116
46 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.461988 0.684211
47 ALA ILE PHE GLN SER SER MET THR LYS 0.457317 0.794118
48 GLU LEU ASP LYS TRP ALA GLY 0.457317 0.764706
49 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.454545 0.743243
50 GLU LEU ASP HOX TRP ALA SER 0.452381 0.757143
51 GLU LEU ASP ORN TRP ALA SER 0.451807 0.794118
52 ALA SER ASN GLU ASN TRP GLU THR MET 0.451807 0.84058
53 THR GLY TYR GLU THR TRP VAL 0.449102 0.823529
54 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.448276 0.775
55 ALA LEU ASP LYS TRP ALA SER 0.447853 0.808824
56 LYS TRP LYS 0.447552 0.701493
57 ALA LEU ASP LYS TRP ASP 0.44586 0.764706
58 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.443114 0.797101
59 GLY GLY LYS LYS LYS TYR LYS LEU 0.442953 0.746269
60 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.442424 0.776119
61 SER GLU LEU GLU ILE LYS ARG TYR 0.440476 0.739726
62 GLY GLY LYS LYS LYS TYR GLN LEU 0.43871 0.746269
63 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.438202 0.764706
64 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.437158 0.739726
65 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.436464 0.746667
66 SER ILE ILE GLY PHE GLU LYS LEU 0.436364 0.746269
67 SER TRP PHE GLN THR ASP LEU 0.436047 0.808824
68 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.434555 0.714286
69 MET PHE SER ILE ASP ASN ILE LEU ALA 0.434524 0.73913
70 PRO GLY LEU TRP LYS SER 0.434524 0.791045
71 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.433333 0.782609
72 GLU LEU ASP NRG TRP ALA SER 0.432584 0.642857
73 ARG PHE PRO LEU THR PHE GLY TRP 0.432292 0.746835
74 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.432039 0.7625
75 GLU ALA ASP LYS TRP GLN SER 0.431953 0.779412
76 GLU ASN ASP LYS TRP ALA SER 0.431953 0.768116
77 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.431373 0.716418
78 LYS ALA LEU TYR ASN PHE ALA THR MET 0.431034 0.826087
79 ACE ILE TYR GLU SER LEU 0.430464 0.731343
80 THR PHE ALY SER ILE MET LYS 0.430233 0.753623
81 FME TYR PHE ILE ASN ILE LEU THR LEU 0.429412 0.782609
82 GLU GLN ASP LYS TRP ALA SER 0.429412 0.779412
83 ASP GLU LEU GLU ILE LYS ALA TYR 0.427711 0.761194
84 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.427027 0.739726
85 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.425743 0.75
86 GLY GLY LYS LYS ARG TYR LYS LEU 0.425 0.684932
87 GLY GLY ARG LYS LYS TYR LYS LEU 0.425 0.684932
88 GLY GLY LYS LYS LYS TYR ARG LEU 0.425 0.684932
89 ASP TRP GLU ILE VAL 0.424051 0.716418
90 TYR GLN SER LYS LEU 0.423841 0.776119
91 GLU GLN TYR LYS PHE TYR SER VAL 0.423313 0.80597
92 ARG PRO MET THR TYR LYS GLY ALA LEU 0.42268 0.7625
93 ASP GLU ASP LYS TRP ASP ASP PHE 0.42236 0.720588
94 LYS ALA VAL TYR ASN LEU ALA THR MET 0.421965 0.797101
95 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.420765 0.76
96 GLN GLU GLU TRP SEP THR VAL MET 0.420455 0.763158
97 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.420213 0.76
98 ASN ASP TRP LEU LEU PRO SER TYR 0.420213 0.826667
99 GLU LEU ASP LYS TYR ALA SER 0.419753 0.75
100 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.419162 0.72973
101 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.418994 0.811594
102 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.418994 0.811594
103 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.417112 0.763158
104 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.416667 0.68
105 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.416185 0.675676
106 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.414365 0.712329
107 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.414201 0.75
108 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.413408 0.635135
109 LEU PRO PHE ASP LYS SER THR ILE MET 0.412698 0.810811
110 01W ARG TRP THR DAB MET LEU GLY 0.411458 0.662921
111 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.410405 0.808824
112 LEU GLU LYS ALA ARG GLY SER THR TYR 0.409836 0.72973
113 ARG GLY TYR LEU TYR GLN GLY LEU 0.409639 0.684932
114 MET ASP TRP ASN MET HIS ALA ALA 0.409091 0.771429
115 PHE LEU ALA TYR LYS 0.407643 0.731343
116 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.407035 0.7375
117 ARG GLY TYR VAL TYR GLN GLY LEU 0.405882 0.684932
118 VAL ASP SER LYS ASN THR SER SER TRP 0.405714 0.811594
119 GLU TYR GLY PRO LYS TRP ASN LYS 0.405405 0.743243
120 SER ILE ILE ASN PHE GLU LYS LEU 0.404762 0.710145
121 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.404494 0.675676
122 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.404494 0.684932
123 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.404494 0.716216
124 LEU ALA ILE TYR SER 0.403974 0.686567
125 CYS THR GLU LEU LYS LEU SER ASP TYR 0.403509 0.779412
126 SER PRO LEU ASP SER LEU TRP TRP ILE 0.403315 0.810811
127 THR LYS ASN TYR LYS GLN THR SER VAL 0.402367 0.753623
128 LYS TRP 0.401408 0.671642
129 TYR GLU TRP 0.401316 0.701493
130 GLN VAL ASN PHE LEU GLY LYS 0.401198 0.691176
131 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.40113 0.684932
132 GLU LEU ASP HIS TRP ALA SER 0.4 0.757143
133 PHE TYR ARG ALA LEU MET 0.4 0.712329
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