Receptor
PDB id Resolution Class Description Source Keywords
1FCH 2.2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE PTS1 COMPLEXED TO THE TPR REGION OF HUMAN PEX5 HOMO SAPIENS PROTEIN-PEPTIDE COMPLEX TETRATRICOPEPTIDE REPEAT TPR HELICAL REPEAT SIGNALING PROTEIN
Ref.: PEROXISOMAL TARGETING SIGNAL-1 RECOGNITION BY THE TPR DOMAINS OF HUMAN PEX5. NAT.STRUCT.BIOL. V. 7 1091 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TYR GLN SER LYS LEU C:1;
D:1;
Valid;
Valid;
none;
none;
Kd = 70 nM
638.743 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FCH 2.2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE PTS1 COMPLEXED TO THE TPR REGION OF HUMAN PEX5 HOMO SAPIENS PROTEIN-PEPTIDE COMPLEX TETRATRICOPEPTIDE REPEAT TPR HELICAL REPEAT SIGNALING PROTEIN
Ref.: PEROXISOMAL TARGETING SIGNAL-1 RECOGNITION BY THE TPR DOMAINS OF HUMAN PEX5. NAT.STRUCT.BIOL. V. 7 1091 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1FCH Kd = 70 nM TYR GLN SER LYS LEU 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 196 families.
1 1FCH Kd = 70 nM TYR GLN SER LYS LEU 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 171 families.
1 1FCH Kd = 70 nM TYR GLN SER LYS LEU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TYR GLN SER LYS LEU; Similar ligands found: 130
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR GLN SER LYS LEU 1 1
2 SER GLN TYR TYR TYR ASN SER LEU 0.649485 0.875
3 PHE LEU SER TYR LYS 0.62 0.925926
4 GLY GLY LYS LYS LYS TYR GLN LEU 0.607843 0.888889
5 GLU GLN TYR LYS PHE TYR SER VAL 0.598131 0.927273
6 TYR ASP GLN ILE LEU 0.594059 0.830189
7 TYR GLN PHE 0.588889 0.722222
8 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.571429 0.790323
9 SER ASP TYR GLN ARG LEU 0.567308 0.827586
10 THR LYS ASN TYR LYS GLN PHE SER VAL 0.54955 0.910714
11 THR LYS ASN TYR LYS GLN THR SER VAL 0.54386 0.927273
12 ACE ILE TYR GLU SER LEU 0.533981 0.90566
13 PHE LEU GLU LYS 0.530612 0.788462
14 GLY GLY LYS LYS LYS TYR LYS LEU 0.529412 0.87037
15 GLU ASN GLN LYS GLU TYR PHE PHE 0.527778 0.785714
16 CYS THR GLU LEU LYS LEU SER ASP TYR 0.516667 0.944444
17 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.514286 0.851852
18 PHE LEU ALA TYR LYS 0.514019 0.833333
19 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.51087 0.826923
20 SER GLN ASN TYR 0.510417 0.833333
21 THR ASN GLU TYR LYS VAL 0.509434 0.886792
22 GLU LEU ASP LYS TYR ALA SER 0.504425 0.943396
23 SER GLU LEU GLU ILE LYS ARG TYR 0.504132 0.866667
24 ALA ARG THR GLU LEU TYR ARG SER LEU 0.495868 0.85
25 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.495652 0.962264
26 GLY GLY LYS LYS ARG TYR LYS LEU 0.491071 0.8
27 GLY GLY LYS LYS LYS TYR ARG LEU 0.491071 0.8
28 GLY GLY ARG LYS LYS TYR LYS LEU 0.491071 0.8
29 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.490909 0.854545
30 THR TYR LYS PHE PHE GLU GLN 0.490909 0.854545
31 ALA LYS GLU LYS SER ASP 0.489362 0.740741
32 ASP GLU LEU GLU ILE LYS ALA TYR 0.483333 0.87037
33 LEU ALA SER LEU GLU SER GLN SER 0.48 0.811321
34 SER ILE ILE ASN PHE GLU LYS LEU 0.478992 0.872727
35 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.478992 0.758065
36 LYS GLN LYS 0.476744 0.660377
37 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.476562 0.928571
38 TYR LEU PHE VAL GLN ARG ASP SER LYS GLU 0.472527 0.730769
39 TYR GLU TRP 0.471698 0.633333
40 GLY LEU TYR ALA SER LYS LEU ALA 0.468468 0.943396
41 SER LEU SER GLN SER LEU SER GLN SER 0.463918 0.792453
42 LYS TYR LYS 0.462366 0.773585
43 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.460938 0.875
44 PHE ARG TYR LEU GLY 0.46087 0.770492
45 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.460784 0.777778
46 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.459677 0.927273
47 SER ILE ILE GLY PHE GLU LYS LEU 0.459016 0.87037
48 ASP ALA ASP GLU TYR LEU 0.458716 0.811321
49 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.457364 0.8
50 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.453782 0.770492
51 TYR GLY GLY PHE LEU 0.453704 0.818182
52 LYS LEU VAL GLN LEU LEU THR THR THR 0.45283 0.830189
53 GLY ASN TYR SER PHE TYR ALA LEU 0.452174 0.842105
54 LYS SER HIS GLN GLU 0.446429 0.733333
55 GLU LEU ARG ARG LYS MET MET TYR MET 0.446281 0.75
56 ALA LYS ALA SER GLN ALA ALA 0.445545 0.807692
57 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.444444 0.821429
58 LEU LYS THR LYS LEU LEU 0.444444 0.792453
59 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.444444 0.87037
60 ACE VAL LYS GLU SER LEU VAL 0.443396 0.846154
61 GLU ILE ILE ASN PHE GLU LYS LEU 0.442623 0.8
62 GLN SER TYR TPO VAL 0.441441 0.786885
63 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.439716 0.701493
64 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.439394 0.69697
65 LYS THR LYS LEU LEU 0.438776 0.792453
66 TRP GLU GLU LEU 0.438095 0.661017
67 ARG GLY TYR LEU TYR GLN GLY LEU 0.438017 0.770492
68 GLU LEU LYS TPO GLU ARG TYR 0.4375 0.746269
69 PHE LEU SER THR LYS 0.436364 0.867925
70 LEU GLU LYS ALA ARG GLY SER THR TYR 0.434783 0.852459
71 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.433824 0.769231
72 SER SER ARG LYS GLU TYR TYR ALA 0.433628 0.754098
73 LYS ASN LEU 0.433333 0.773585
74 ALA ILE PHE GLN SER SER MET THR LYS 0.433071 0.813559
75 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.433071 0.758065
76 MET ASN TYR ASP ILE 0.43299 0.754717
77 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.432 0.851852
78 ARG GLY TYR VAL TYR GLN GLY LEU 0.432 0.770492
79 PHE TYR ARG ALA LEU MET 0.432 0.71875
80 ASN LEU LEU GLN LYS LYS 0.431373 0.703704
81 GLY ASN PHE LEU GLN SER ARG 0.430894 0.770492
82 GLU GLN ASP LYS TRP ALA SER 0.428571 0.737705
83 THR ASN GLU TYR TYR VAL 0.428571 0.781818
84 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.428571 0.894737
85 HIS GLU GLU LEU ALA LYS LEU 0.428571 0.730769
86 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.426357 0.818182
87 GLU ASN LEU TYR PHE GLN 0.426087 0.836364
88 GLU GLU GLN GLU GLU TYR 0.425532 0.75
89 GLU LEU GLU LYS TRP ALA SER 0.422764 0.766667
90 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.422222 0.758065
91 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.422018 0.737705
92 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.42069 0.712121
93 SEP GLN GLU TYR NH2 0.420561 0.721311
94 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.419847 0.79661
95 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.419847 0.786885
96 MET LEU ILE TYR SER MET TRP GLY LYS 0.418919 0.761194
97 LEU ALA ILE TYR SER 0.418182 0.830189
98 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.418033 0.842105
99 ARG ASP ARG ALA ALA LYS LEU 0.417476 0.661017
100 GLU ALA ASP LYS TRP GLN SER 0.417323 0.737705
101 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.415493 0.671233
102 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.415254 0.816667
103 LYS SER LYS 0.413793 0.735849
104 SER SER VAL VAL GLY VAL TRP TYR LEU 0.413534 0.786885
105 GLU LEU LYS ARG LYS MET ILE TYR MET 0.413534 0.75
106 PRO GLU SEP LEU GLU SER CYS PHE 0.413223 0.709677
107 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.411765 0.716667
108 SER LEU LEU LYS LYS LEU LEU ASP 0.41 0.814815
109 VAL GLN GLN GLU SER SER PHE VAL MET 0.408333 0.807018
110 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.407407 0.716418
111 THR ASN GLU PHE TYR PHE 0.407407 0.727273
112 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.407143 0.720588
113 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.407143 0.69697
114 PHE SER GLN HIS LYS THR SER TPO ILE 0.406897 0.676056
115 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.40625 0.792453
116 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.405594 0.822581
117 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.405405 0.691176
118 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.404412 0.774194
119 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.404412 0.774194
120 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.40411 0.73913
121 LEU LYS SER MLZ LYS GLY GLN SER THR TYR 0.403846 0.741379
122 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.40367 0.704918
123 ALA ARG THR MLY GLN THR ALA ARG TYR 0.403101 0.761194
124 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.402878 0.723077
125 GLY LEU MET TRP LEU SER TYR PHE VAL 0.402878 0.753846
126 SER LEU TYR LEU THR VAL ALA THR LEU 0.401709 0.849057
127 ALA GLN PHE SER ALA SER ALA SER ARG 0.401709 0.762712
128 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.401515 0.770492
129 SER LEU LEU MET TRP ILE THR GLN LEU 0.4 0.738462
130 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.4 0.803279
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FCH; Ligand: TYR GLN SER LYS LEU; Similar sites found: 31
This union binding pocket(no: 1) in the query (biounit: 1fch.bio5) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CB8 MYA 0.003548 0.45773 None
2 5U0L 8YP 0.02011 0.42089 1.08696
3 2VDY HCY 0.0352 0.40422 1.3587
4 3HP9 CF1 0.01448 0.43016 2.17391
5 4L6H HCS 0.04083 0.40004 2.44565
6 5EXA 5SO 0.004919 0.44182 2.6087
7 1I0B PEL 0.002893 0.46976 2.71084
8 2YFB SIN 0.004294 0.43893 3.48837
9 3CYI ATP 0.03837 0.40126 3.63636
10 3R9V DXC 0.0302 0.40796 3.84615
11 5V4R MGT 0.002397 0.48048 4.32099
12 3H4L ANP 0.01027 0.42115 4.35967
13 3B6C SDN 0.01885 0.41628 5.12821
14 5UGW GSH 0.001222 0.47989 5.14286
15 5CX8 RP3 0.02239 0.41607 5.70652
16 5XNA SHV 0.03322 0.40237 5.7971
17 3KO0 TFP 0.03351 0.40567 5.94059
18 2VWA PTY 0.04169 0.40072 5.94059
19 2HHP FLC 0.02485 0.4177 5.97826
20 3MA0 XYP 0.01285 0.42504 7.34824
21 2GBB CIT 0.0208 0.40979 7.69231
22 5OCA 9QZ 0.0004781 0.51423 7.88043
23 5VRH OLB 0.01276 0.4288 8.15217
24 3TDC 0EU 0.02768 0.41919 8.15217
25 1XVB 3BR 0.006685 0.43044 9.23913
26 3V1S 0LH 0.01847 0.4227 9.31677
27 3RV5 DXC 0.004553 0.4499 10.1124
28 5MWE TCE 0.03204 0.4041 11.4286
29 1ELR ACE MET GLU GLU VAL ASP 0.000005976 0.55944 29.0076
30 1ELW GLY PRO THR ILE GLU GLU VAL ASP 0.0001203 0.51073 36.4407
31 1NA3 IPT 0.0009139 0.41189 47.2527
Pocket No.: 2; Query (leader) PDB : 1FCH; Ligand: TYR GLN SER LYS LEU; Similar sites found: 15
This union binding pocket(no: 2) in the query (biounit: 1fch.bio5) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AHS COA 0.01092 0.40396 1.63043
2 1YOK P6L 0.008845 0.41388 3.125
3 2QJY UQ2 0.02336 0.40378 3.71747
4 4URN NOV 0.02185 0.40653 4
5 1YMT DR9 0.006914 0.41005 4.87805
6 4YSX E23 0.01273 0.41734 5.31915
7 5CX6 CDP 0.006455 0.43638 5.43478
8 4UMJ BFQ 0.00582 0.43759 6.08108
9 3TL1 JRO 0.01951 0.40781 6.28931
10 4WGF HX2 0.03228 0.41046 6.82927
11 5UC9 MYR 0.0195 0.40354 7.07965
12 3HY2 ATP 0.02132 0.4016 7.27273
13 4B7P 9UN 0.01871 0.40749 14.3478
14 1XZ3 ICF 0.02887 0.41779 14.3678
15 1NA0 IPT 0.0008205 0.40945 44.8
Feedback