Receptor
PDB id Resolution Class Description Source Keywords
2DYP 2.5 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF LILRB2(LIR2/ILT4/CD85D) COMPLEXED WITH HLA-G HOMO SAPIENS IMMUNOGLOBULIN-LIKE IMMUNE SYSTEM
Ref.: STRUCTURAL BASIS FOR RECOGNITION OF THE NONCLASSICAL MHC MOLECULE HLA-G BY THE LEUKOCYTE IG-LIKE RECEPTOR B2 (LILRB2/LIR2/ILT4/CD85D) PROC.NATL.ACAD.SCI.USA V. 103 16412 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG ILE ILE PRO ARG HIS LEU GLN LEU C:1;
Valid;
none;
submit data
1147.44 n/a O=C([...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2DYP 2.5 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF LILRB2(LIR2/ILT4/CD85D) COMPLEXED WITH HLA-G HOMO SAPIENS IMMUNOGLOBULIN-LIKE IMMUNE SYSTEM
Ref.: STRUCTURAL BASIS FOR RECOGNITION OF THE NONCLASSICAL MHC MOLECULE HLA-G BY THE LEUKOCYTE IG-LIKE RECEPTOR B2 (LILRB2/LIR2/ILT4/CD85D) PROC.NATL.ACAD.SCI.USA V. 103 16412 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 2DYP - ARG ILE ILE PRO ARG HIS LEU GLN LEU 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: ARG ILE ILE PRO ARG HIS LEU GLN LEU; Similar ligands found: 209
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG ILE ILE PRO ARG HIS LEU GLN LEU 1 1
2 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.696552 0.969231
3 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.632653 0.863636
4 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.589744 0.826087
5 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.589041 0.878788
6 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.588957 0.940298
7 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.588235 0.850746
8 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.580645 0.863636
9 ALA ILE LEU HIS ARG LEU LEU GLN 0.573427 0.830769
10 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.55814 0.914286
11 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.553333 0.84507
12 ALA PHE ARG ILE PRO LEU THR ARG 0.551282 0.859155
13 SER HIS PRO ARG PRO ILE ARG VAL 0.548387 0.914286
14 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.547771 0.859155
15 SER ARG ASP HIS SER ARG THR PRO MET 0.545455 0.84
16 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.538012 0.828947
17 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.535032 0.939394
18 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.532934 0.84
19 ARG PRO LYS ARG ILE ALA 0.531034 0.907692
20 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.528409 0.927536
21 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.525974 0.924242
22 ARG LEU TYR HIS SEP LEU PRO ALA 0.52381 0.775
23 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.522876 0.789474
24 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.522013 0.780822
25 SER ILE ILE GLN PHE GLU HIS LEU 0.52 0.694444
26 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.516779 0.797101
27 ALA MET ALA PRO ARG THR LEU LEU LEU 0.513158 0.773333
28 TYR TYR SER ILE ILE PRO HIS SER ILE 0.512658 0.763158
29 HIS HIS ALA SER PRO ARG LYS 0.5125 0.828571
30 ASN ARG PRO ILE LEU SER LEU 0.510067 0.871429
31 TYR PRO LYS ARG ILE ALA 0.509677 0.857143
32 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.509554 0.884058
33 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.508876 0.830986
34 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.506329 0.865672
35 LYS VAL ALA PRO PRO ILE PRO HIS ARG 0.505952 0.939394
36 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.503067 0.819444
37 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.5 0.811594
38 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.5 0.869565
39 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.497143 0.914286
40 VAL MET ALA PRO ARG THR LEU PHE LEU 0.497006 0.776316
41 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.493976 0.907692
42 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.49359 0.939394
43 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.493421 0.828571
44 LYS ARG ARG ARG HIS PRO SER GLY 0.490446 0.842857
45 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.4875 0.8
46 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.487179 0.857143
47 LEU PRO PHE GLU ARG ALA THR ILE MET 0.485714 0.813333
48 ALA ASN SER ARG HIS PRO THR SER ILE ILE 0.484472 0.887324
49 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.483871 0.909091
50 LYS ARG ARG ARG HIS PRO SER 0.483871 0.852941
51 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.482759 0.797468
52 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.478528 0.763158
53 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.473373 0.797297
54 ACE GLN GLU ARG GLU VAL PRO CYS 0.473333 0.865672
55 GLY HIS ARG PRO 0.471831 0.907692
56 HIS SER ILE THR TYR LEU LEU PRO VAL 0.470588 0.786667
57 GLU ARG THR ILE PRO ILE THR ARG GLU 0.470199 0.828571
58 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.469613 0.7625
59 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.468927 0.849315
60 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.468208 0.74026
61 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.467949 0.742857
62 LEU PRO PRO GLU GLU ARG LEU ILE 0.467532 0.938462
63 PHE SER HIS PRO GLN ASN THR 0.466258 0.767123
64 ALA ARG SER HIS SEP TYR PRO ALA 0.465517 0.740741
65 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.465116 0.777778
66 3BY PRO LYS ARG ILE ALA 0.464516 0.869565
67 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.462857 0.816901
68 LEU PRO PHE ASP ARG THR THR ILE MET 0.462428 0.826667
69 BOC HIS PRO PHE HIS LOV ILE HIS 0.462428 0.783784
70 ARG THR PHE SER PRO THR TYR GLY LEU 0.461988 0.802632
71 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.460733 0.9
72 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.460674 0.859155
73 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.459459 0.853333
74 DPN PRO DAR ILE NH2 0.458904 0.848485
75 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.457831 0.75
76 DTY ILE ARG LEU LPD 0.457516 0.842857
77 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.45679 0.84507
78 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.45625 0.71831
79 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.452514 0.909091
80 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.451807 0.925373
81 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.451613 0.898551
82 THR PRO TYR ASP ILE ASN GLN MET LEU 0.450292 0.727273
83 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.450292 0.897059
84 SER PRO LYS ARG ILE ALA 0.449664 0.826087
85 LYS PRO VAL LEU ARG THR ALA 0.449367 0.828571
86 ARG ARG GLU VAL HIS THR TYR TYR 0.448485 0.733333
87 5JP PRO LYS ARG ILE ALA 0.447368 0.802817
88 ILE GLU GLU ALA LEU GLN ILE ILE HIS SER 0.446541 0.735294
89 TYR TYR SER ILE ALA PRO HIS SER ILE 0.446429 0.74026
90 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.446237 0.805195
91 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.445122 0.833333
92 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.445087 0.847222
93 ARG PRO MET THR PHE LYS GLY ALA LEU 0.445055 0.789474
94 ARG PHE PRO LEU THR PHE GLY TRP 0.445055 0.837838
95 ALA THR PRO PHE GLN GLU 0.444444 0.714286
96 ARG ARG ALA SEP ALA PRO LEU PRO 0.444444 0.786667
97 ARG TYR PRO LEU THR PHE GLY TRP 0.44385 0.815789
98 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.44375 0.882353
99 ARG HIS LYS ALY LEU MET PHE LYS 0.443114 0.736111
100 ARG PRO MET THR TYR LYS GLY ALA LEU 0.442623 0.782051
101 SER HIS SEP SER PRO ALA SER LEU GLN 0.442529 0.776316
102 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.442308 0.785714
103 LEU PRO PHE GLU ARG ALA THR VAL MET 0.441341 0.8
104 PHE ASN PHE PRO GLN ILE THR 0.440252 0.739726
105 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.44 0.674419
106 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.439759 0.80597
107 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.439024 0.884058
108 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.437909 0.757143
109 THR PRO GLN ASP LEU ASN THR MET LEU 0.4375 0.72973
110 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.437158 0.756757
111 PRO PRO LYS ARG ILE ALA 0.436709 0.907692
112 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.436709 0.757143
113 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.435294 0.80597
114 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.434783 0.776119
115 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.434524 0.871429
116 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.434286 0.76
117 DHI PRO PHE HIS LEU LEU VAL TYR 0.434286 0.777778
118 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.434286 0.835616
119 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.434066 0.695122
120 ACE ALA PRO GLN VAL STA VAL MET HIS PRO 0.433526 0.773333
121 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.433155 0.802632
122 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.432584 0.821918
123 ARG GLY TYR LEU TYR GLN GLY LEU 0.432258 0.680556
124 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.431818 0.864865
125 GLY HIS ARG PRO NH2 0.431507 0.876923
126 ARG SER LEU SEP ALA PRO GLY ASN 0.43125 0.753247
127 ACE CYS HIS PRO GLN ASN THR NH2 0.43038 0.777778
128 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.430233 0.789474
129 BOC HIS PRO PHE ALA LOV ILE HIS 0.430168 0.783784
130 PHE ASN GLU LEU SER HIS LEU 0.429577 0.685714
131 DPN PRO DAR DTH NH2 0.42953 0.760563
132 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.429448 0.7
133 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.429379 0.847222
134 ILE SER PRO ARG THR LEU ASP ALA TRP 0.428571 0.864865
135 LYS PRO SEP GLN GLU LEU 0.428571 0.706667
136 ACE PRO LEU HIS SER TPO 0.428571 0.734177
137 ARG ARG LEU ILE PHE NH2 0.427586 0.69697
138 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.427083 0.818182
139 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.426035 0.651163
140 ALA LYS PHE ARG HIS ASP 0.425806 0.779412
141 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.425676 0.671429
142 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.425287 0.835616
143 ARG ALA HIS SEP SER PRO ALA SER LEU GLN 0.42515 0.776316
144 ARG THR PRO SEP LEU PRO THR 49F 0.425 0.776316
145 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.425 0.830986
146 ARG THR PRO SEP LEU PRO THR 0.425 0.776316
147 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.424419 0.837838
148 ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR 0.424419 0.852941
149 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.424242 0.818182
150 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.42268 0.84
151 PRO GLN PTR GLU GLU ILE PRO ILE 0.422619 0.76
152 PHE CYS HIS PRO GLN ASN THR NH2 0.422619 0.753425
153 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.42236 0.84058
154 HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 0.422222 0.783784
155 LYS PRO HIS SER ASP 0.422078 0.785714
156 VAL PRO LEU ARG PRO MET THR TYR 0.421965 0.792208
157 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.42132 0.815789
158 PRO GLN PTR GLU PTR ILE PRO ALA 0.420118 0.74026
159 PRO HIS PRO PHE HIS LAV ILE HIS LYS 0.41989 0.823529
160 ALA ARG MLZ SER ALA PRO ALA THR 0.419753 0.773333
161 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.419355 0.722222
162 DPN PRO DAR CYS NH2 0.418919 0.764706
163 MET CYS PRO ARG MET THR ALA VAL MET 0.417647 0.797297
164 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.417647 0.776316
165 SER LEU PHE HIS 22G THR PRO 0.416667 0.763158
166 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.416216 0.84
167 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.416216 0.898551
168 SER GLU ILE GLU PHE ALA ARG LEU 0.416149 0.676056
169 6D6 PRO PRO LYS ARG ILE ALA NH2 0.415842 0.780488
170 DPN PRO ARG 0.415493 0.80303
171 PHE ASN ARG PRO VAL 0.414013 0.867647
172 ALA VAL PRO ILE ALA GLN 0.413793 0.8
173 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.413408 0.756757
174 HIS SER LEU PHE HIS PUK THR PRO 0.413408 0.783784
175 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.413043 0.873239
176 PRO GLN ILE ILE ASN ARG PRO GLN ASN 0.4125 0.880597
177 ACE PRO LEU HIS SER TPO ALA NH2 0.4125 0.734177
178 GLN ALA SER TPO PRO ARG NIT 0.412429 0.686047
179 THR SER ARG HIS LYS ALY LEU MET ALA 0.411765 0.736842
180 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.411111 0.72
181 LEU PRO SER PHE GLU THR ALA LEU 0.409639 0.75
182 LYS GLY GLY ALA ALY ARG HIS ARG 0.409639 0.835821
183 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.409639 0.708333
184 HIS MET THR GLU VAL VAL ARG HIS CYS 0.409357 0.746667
185 SER SER ILE GLU PHE ALA ARG LEU 0.408537 0.690141
186 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.408284 0.797297
187 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.408284 0.785714
188 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.407821 0.797297
189 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.407643 0.742857
190 ALA ARG THR GLU LEU TYR ARG SER LEU 0.407407 0.675676
191 GLU ALA GLN THR ARG LEU 0.406667 0.642857
192 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.405556 0.783784
193 SER ASP TYR GLN ARG LEU 0.405405 0.676056
194 LYS SER HIS GLN GLU 0.405405 0.671429
195 HIS VAL GLY PRO ILE ALA 0.405229 0.907692
196 ASP ALA GLU PHE ARG HIS ASP SER 0.404908 0.764706
197 HIS ALA GLY PRO ILE ALA 0.403974 0.878788
198 SER GLU LEU GLU ILE LYS ARG TYR 0.402439 0.689189
199 ARG GLN ALA SEP LEU SER ILE SER VAL 0.402439 0.631579
200 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.402235 0.819444
201 MET HIS PRO ALA GLN THR SER GLN TRP 0.402116 0.74359
202 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.401235 0.830986
203 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.401235 0.815385
204 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.401198 0.855072
205 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.40107 0.72973
206 SER HIS LYS ILE ASP ASN LEU ASP 0.4 0.757143
207 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.4 0.811594
208 PRO GLN PTR ILE PTR VAL PRO ALA 0.4 0.753247
209 SER SER TYR ARG ARG PRO VAL GLY ILE 0.4 0.837838
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG ILE ILE PRO ARG HIS LEU GLN LEU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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