Receptor
PDB id Resolution Class Description Source Keywords
3WUW 2 Å NON-ENZYME: IMMUNE KIR3DL1 IN COMPLEX WITH HLA-B*57:01.I80T HOMO SAPIENS IMMUNE RECEPTOR COMPLEX PROTEIN BINDING
Ref.: MUTATIONAL AND STRUCTURAL ANALYSIS OF KIR3DL1 REVEA LINEAGE-DEFINING ALLOTYPIC DIMORPHISM THAT IMPACTS AND PEPTIDE SENSITIVITY J.IMMUNOL. V. 192 2875 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LEU SER SER PRO VAL THR LYS SER PHE C:1;
Valid;
none;
submit data
951.133 n/a O=C(N...
NAG G:300;
G:302;
G:301;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T70 2.1 Å NON-ENZYME: IMMUNE KIR3DL1 IN COMPLEX WITH HLA-B*57:01 PRESENTING TSNLQEQIGW HOMO SAPIENS HUMAN LEUKOCYTE ANTIGEN IMMUNOGLOBULIN DOMAIN ANTIGEN PRESENIMMUNE SYSTEM
Ref.: MHC-I PEPTIDES GET OUT OF THE GROOVE AND ENABLE A N MECHANISM OF HIV-1 ESCAPE. NAT. STRUCT. MOL. BIOL. V. 24 387 2017
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 3WUW - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
2 6V3J - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
3 5B39 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
4 5T6Z - THR SER THR LEU GLN GLU GLN ILE GLY TRP n/a n/a
5 5T70 Kd = 102 uM THR SER ASN LEU GLN GLU GLN ILE GLY TRP n/a n/a
6 5B38 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
7 3VH8 - LEU SER SER PRO VAL THR LYS SER PHE 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 67 families.
1 3WUW - LEU SER SER PRO VAL THR LYS SER PHE 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 45 families.
1 3WUW - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LEU SER SER PRO VAL THR LYS SER PHE; Similar ligands found: 130
No: Ligand ECFP6 Tc MDL keys Tc
1 LEU SER SER PRO VAL THR LYS SER PHE 1 1
2 LEU PRO PHE GLU LYS SER THR VAL MET 0.586667 0.909091
3 LEU PRO PHE ASP LYS SER THR ILE MET 0.55414 0.895522
4 PHE PRO THR LYS ASP VAL ALA LEU 0.554054 0.951613
5 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.546584 0.855072
6 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.544872 0.823529
7 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.542857 0.84127
8 ARG VAL SER PRO SER THR SER TYR THR PRO 0.537313 0.904762
9 THR THR ALA PRO PHE LEU SER GLY LYS 0.532895 0.952381
10 LEU ASN PHE PRO ILE SER PRO 0.521739 0.907692
11 LYS THR PHE PRO PRO THR GLU PRO LYS 0.52 0.904762
12 SER THR SEP PRO THR PHE ASN LYS 0.515924 0.84058
13 MAA LYS PRO PHE 0.515385 0.819672
14 LEU PRO PHE ASP LYS THR THR ILE MET 0.509554 0.880597
15 SER SER CYS PRO LEU SER LYS 0.507463 0.934426
16 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.507042 0.873016
17 LEU PRO SER PHE GLU THR ALA LEU 0.496644 0.951613
18 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.490323 0.90625
19 ASP LEU PRO PHE 0.48855 0.83871
20 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.484472 0.828571
21 PHE LEU SER THR LYS 0.480916 0.8
22 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.480263 0.892308
23 ACE GLY LYS SER PHE SER LYS PRO ARG 0.47973 0.890625
24 ARG SEP PRO VAL PHE SER 0.477419 0.777778
25 LEU PHE GLY TYR PRO VAL TYR VAL 0.476821 0.80597
26 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.475309 0.869565
27 ARG THR PHE SER PRO THR TYR GLY LEU 0.475309 0.808219
28 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.472393 0.852941
29 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.472393 0.867647
30 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.469799 0.907692
31 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.46875 0.878788
32 ILE THR ASP GLN VAL PRO PHE SER VAL 0.468354 0.936508
33 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.468354 0.867647
34 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.467949 0.80597
35 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.467949 0.80597
36 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.465409 0.782609
37 ARG PRO MET THR PHE LYS GLY ALA LEU 0.465116 0.794521
38 LYS PRO VAL LEU ARG THR ALA 0.463087 0.835821
39 THR THR ALA PRO SER LEU SER GLY LYS 0.463087 0.920635
40 PHE SER HIS PRO GLN ASN THR 0.461538 0.850746
41 GLY THR SER SER PRO SER ALA ASP 0.455882 0.870968
42 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.451128 0.873016
43 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.45098 0.878788
44 LEU PRO LYS MYK THR GLY GLY 0.448718 0.875
45 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.448052 0.920635
46 THR PRO PRO SER PRO PHE 0.447761 0.903226
47 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.446429 0.850746
48 PHE LYS TPO GLU GLY PRO ASP SER ASP 0.444444 0.782609
49 LEU PRO PHE GLU ARG ALA THR VAL MET 0.444444 0.805556
50 ALA PHE ARG ILE PRO LEU THR ARG 0.44375 0.867647
51 PHE ASN PHE PRO GLN ILE THR 0.443709 0.848485
52 GLY SER ASP PRO PHE LYS 0.443662 0.887097
53 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.441558 0.8125
54 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.441379 0.80303
55 PHE SER ALA PTR PRO SER GLU GLU ASP 0.440789 0.777778
56 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.439306 0.779412
57 LYS LEU THR PRO LEU CYS VAL THR LEU 0.439189 0.919355
58 1IP CYS PHE SER LYS PRO ARG 0.438272 0.788732
59 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.438272 0.84127
60 ACE GLY LYS SER PHE SER LYS PRO ARG MYR 0.43787 0.892308
61 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.436709 0.852941
62 GLY ASP CYS PHE SER LYS PRO ARG 0.435583 0.797101
63 HIS HIS ALA SER PRO ARG LYS 0.434783 0.757143
64 GLU LYS PRO SER SER SER 0.432836 0.854839
65 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.432749 0.797101
66 DPN PRO DAR DTH NH2 0.432624 0.818182
67 GLU LEU PRO LEU VAL LYS ILE 0.432432 0.809524
68 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.432258 0.819444
69 LEU PRO PHE ASP ARG THR THR ILE MET 0.431953 0.808219
70 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.431953 0.855072
71 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.43125 0.907692
72 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.43125 0.907692
73 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.430851 0.75
74 LYS PRO PHE PTR VAL ASN VAL NH2 0.428571 0.756757
75 ALA THR PRO PHE GLN GLU 0.428571 0.854839
76 PBE PRO LYS THR SER GLY LYS ALA ALA 0.427586 0.852941
77 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.426035 0.808824
78 PHE ASN ARG PRO VAL 0.425676 0.768116
79 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.425414 0.786667
80 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.424084 0.786667
81 ILE SER PRO ARG THR LEU ASP ALA TRP 0.423077 0.821918
82 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.422857 0.867647
83 VAL MET ALA PRO ARG THR LEU PHE LEU 0.422619 0.805556
84 HIS SER ILE THR TYR LEU LEU PRO VAL 0.422619 0.869565
85 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.421622 0.776316
86 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.421053 0.746667
87 TYR PRO LYS ARG ILE ALA 0.420382 0.760563
88 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.41989 0.714286
89 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.419753 0.650602
90 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.419162 0.776119
91 PRO ALA PRO PHE ALA SER ALA 0.418919 0.903226
92 SER SER TYR ARG ARG PRO VAL GLY ILE 0.418182 0.84507
93 LEU VAL THR LEU VAL PHE VAL 0.41791 0.65
94 SER PRO ILE VAL PRO SER PHE ASP MET 0.417178 0.867647
95 TYR LEU ALA PRO GLY PRO VAL THR ALA 0.416667 0.893939
96 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.416185 0.797297
97 LYS LEU LEU PHE 0.416 0.666667
98 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.415205 0.84058
99 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.414773 0.805556
100 LEU PRO PHE GLU ARG ALA THR ILE MET 0.414773 0.794521
101 SER PRO LYS ARG ILE ALA 0.413793 0.779412
102 ARG PRO MET THR TYR LYS GLY ALA LEU 0.413408 0.763158
103 ILE MET ASP GLN VAL PRO PHE SER VAL 0.413174 0.865672
104 SER MET PRO GLU LEU SER PRO VAL LEU 0.412162 0.850746
105 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.412121 0.785714
106 GLY GLY CYS PHE SER LYS PRO LYS MYR 0.411765 0.863636
107 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.411392 0.893939
108 THR PRO ARG ARG SER MLZ SER ALA 0.410959 0.814286
109 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.409357 0.821918
110 GLU PRO VAL GLU THR THR ASP TYR 0.409091 0.861538
111 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.408805 0.893939
112 SER SER GLY LYS VAL PRO LEU SER 0.408163 0.919355
113 TYR SEP PRO THR SEP PRO SER 0.408163 0.802817
114 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.407821 0.785714
115 ARG PHE PRO LEU THR PHE GLY TRP 0.407821 0.794521
116 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.407609 0.771429
117 VAL PRO LEU ARG PRO MET THR TYR 0.407186 0.797297
118 SER SER GLY LYS VAL PRO LEU 0.406897 0.903226
119 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.406452 0.794118
120 PKF 0.406452 0.710526
121 ARG ARG ARG GLU ARG SER PRO THR ARG 0.406452 0.808824
122 ASP PHE ALA ASN THR PHE LEU PRO 0.406452 0.863636
123 PHE SER GLN HIS LYS THR SER TPO ILE 0.405882 0.716216
124 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.404494 0.786667
125 GLU PHE SER PRO 0.402985 0.83871
126 5JP PRO LYS ARG ILE ALA 0.402685 0.757143
127 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.402367 0.823529
128 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.402299 0.867647
129 ARG VAL ALA SER PRO THR SER GLY VAL 0.4 0.823529
130 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.4 0.776316
Similar Ligands (3D)
Ligand no: 1; Ligand: LEU SER SER PRO VAL THR LYS SER PHE; 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 : 5T70; Ligand: THR SER ASN LEU GLN GLU GLN ILE GLY TRP; 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: 5t70.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
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