Receptor
PDB id Resolution Class Description Source Keywords
3KZE 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF T-CELL LYMPHOMA INVASION AND METASTASIS COMPLEX WITH SSRKEYYA PEPTIDE HOMO SAPIENS PDZ CELL JUNCTION CELL ADHESION SIGNALING PROTEIN TIAM1NUCLEOTIDE EXCHANGE FACTOR GUANINE-NUCLEOTIDE RELEASING FALIPOPROTEIN MYRISTATE PHOSPHOPROTEIN POLYMORPHISM
Ref.: THE TIAM1 PDZ DOMAIN COUPLES TO SYNDECAN1 AND PROMO CELL-MATRIX ADHESION. J.MOL.BIOL. V. 398 730 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER SER ARG LYS GLU TYR TYR ALA D:2;
E:3;
Valid;
Valid;
none;
none;
submit data
900.004 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NXQ 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF T-CELL LYMPHOMA INVASION AND METASTASIS DOMAIN QUADRUPLE MUTANT (QM) IN COMPLEX WITH CASPR4 PEPTIDE HOMO SAPIENS BETA BARREL FOLD PROTEIN PDZ DOMAIN; PEPTIDE BINDING SPECIMUTANT SCAFFOLD SIGNALING PROTEIN FOR CELL ADHESION AND CEJUNCTION SIGNALING DOMAIN PROTEIN-PEPTIDE COMPLEX SIGNALPROTEIN-PEPTIDE COMPLEX
Ref.: DISTINCT ROLES FOR CONFORMATIONAL DYNAMICS IN PROTE INTERACTIONS. STRUCTURE V. 24 2053 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4NXQ Kd = 18 uM GLU ASN GLN LYS GLU TYR PHE PHE n/a n/a
2 3KZE - SER SER ARG LYS GLU TYR TYR ALA n/a n/a
3 4NXR Kd = 46 uM ASN LYS ASP LYS GLU TYR TYR VAL ANS n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4NXQ Kd = 18 uM GLU ASN GLN LYS GLU TYR PHE PHE n/a n/a
2 3KZE - SER SER ARG LYS GLU TYR TYR ALA n/a n/a
3 4NXR Kd = 46 uM ASN LYS ASP LYS GLU TYR TYR VAL ANS n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4NXQ Kd = 18 uM GLU ASN GLN LYS GLU TYR PHE PHE n/a n/a
2 3KZE - SER SER ARG LYS GLU TYR TYR ALA n/a n/a
3 4NXR Kd = 46 uM ASN LYS ASP LYS GLU TYR TYR VAL ANS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SER SER ARG LYS GLU TYR TYR ALA; Similar ligands found: 139
No: Ligand ECFP6 Tc MDL keys Tc
1 SER SER ARG LYS GLU TYR TYR ALA 1 1
2 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.657407 0.898305
3 GLY GLY LYS LYS ARG TYR LYS LEU 0.621622 0.913793
4 GLY GLY LYS LYS LYS TYR ARG LEU 0.621622 0.913793
5 GLY GLY ARG LYS LYS TYR LYS LEU 0.621622 0.913793
6 THR ASN GLU TYR LYS VAL 0.619048 0.779661
7 GLU LEU ARG ARG LYS MET MET TYR MET 0.610169 0.854839
8 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.609756 0.932203
9 SER ASP TYR GLN ARG LEU 0.577982 0.87931
10 SER GLU LEU GLU ILE LYS ARG TYR 0.577236 0.854839
11 GLU ASN GLN LYS GLU TYR PHE PHE 0.567568 0.810345
12 ALA ARG THR GLU LEU TYR ARG SER LEU 0.560976 0.83871
13 GLU LEU LYS TPO GLU ARG TYR 0.554688 0.791045
14 SER LEU ARG PHE LEU TYR GLU GLY 0.544715 0.854839
15 GLU LEU LYS ARG LYS MET ILE TYR MET 0.541985 0.854839
16 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.537815 0.836066
17 LEU GLU LYS ALA ARG GLY SER THR TYR 0.532847 0.84127
18 THR ASN GLU PHE TYR ALA 0.526786 0.716667
19 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.525 0.770492
20 ASP ALA GLU PHE ARG HIS ASP 0.521368 0.821429
21 PHE ARG TYR LEU GLY 0.512821 0.913793
22 TYR PRO LYS ARG ILE ALA 0.51145 0.764706
23 GLY GLY LYS LYS LYS TYR GLN LEU 0.508621 0.810345
24 THR LYS ASN TYR LYS GLN PHE SER VAL 0.508197 0.774194
25 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.507463 0.881356
26 GLU LEU ASN ARG LYS MET ILE TYR MET 0.507143 0.815385
27 GLY GLY LYS LYS LYS TYR LYS LEU 0.504505 0.810345
28 ALA ARG THR MLY GLN THR ALA ARG TYR 0.503937 0.779412
29 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.503817 0.866667
30 ARG LYS LYS ARG TYR THR VAL VAL GLY ASN 0.496241 0.83871
31 THR ASN GLU TYR TYR VAL 0.495238 0.728814
32 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.492958 0.84127
33 ACE ALA ARG THR GLU VAL TYR NH2 0.491803 0.864407
34 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.485294 0.85
35 GLU GLN TYR LYS PHE TYR SER VAL 0.483871 0.816667
36 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.483051 0.775862
37 ARG ARG GLU VAL HIS THR TYR TYR 0.481752 0.818182
38 GLU LEU ASP LYS TYR ALA SER 0.479675 0.754098
39 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.477876 0.890909
40 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.473214 0.745763
41 PHE TYR ARG ALA LEU MET 0.472868 0.852459
42 THR ASN GLU PHE TYR PHE 0.472222 0.706897
43 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.470588 0.85
44 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.468254 0.779661
45 ALA LYS PHE ARG HIS ASP 0.468254 0.790323
46 ALA MET TYR LYS 0.46789 0.75
47 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.466667 0.728814
48 LYS ARG ARG ARG LYS SEP CYS GLN ALA NH2 0.46281 0.647059
49 ALA TYR ARG 0.462264 0.872727
50 GLY ASP GLU VAL LYS VAL PHE ARG 0.462121 0.827586
51 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.460317 0.671429
52 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.458904 0.791045
53 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.457143 0.854839
54 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.455357 0.651515
55 SER GLU ILE GLU PHE ALA ARG LEU 0.454545 0.758065
56 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.454545 0.883333
57 ASP GLU LEU GLU ILE LYS ALA TYR 0.453846 0.79661
58 ARG GLY TYR LEU TYR GLN GLY LEU 0.453125 0.913793
59 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.453125 0.827586
60 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.452055 0.791045
61 ASP ALA GLU PHE ARG HIS ASP SER 0.451128 0.774194
62 LYS TYR LYS 0.45098 0.8
63 GLY LEU TYR ALA SER LYS LEU ALA 0.45 0.725806
64 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.44697 0.741935
65 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.446667 0.782609
66 ASP ALA ASP GLU TYR LEU 0.444444 0.694915
67 SER SER ILE GLU PHE ALA ARG LEU 0.444444 0.746032
68 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.443662 0.786885
69 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.442029 0.777778
70 PAC DLY DLY DAR 0.440367 0.821429
71 ALA ARG LYS LEU ASP 0.440367 0.775862
72 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.440298 0.8
73 SER PRO LYS ARG ILE ALA 0.44 0.657143
74 THR LYS ASN TYR LYS GLN THR SER VAL 0.439394 0.758065
75 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.439189 0.794118
76 2UE DLY LYS DAR 0.438596 0.807018
77 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.436508 0.656716
78 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.43609 0.730159
79 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.432836 0.898305
80 ARG GLU ALA ALA 0.432692 0.781818
81 DLY DTY DLY DLY DAL DLE ZDC 0.432 0.723077
82 ALA GLN PHE SER ALA SER ALA SER ARG 0.430894 0.783333
83 BP4 CYS DAR TYR PEA 0.429688 0.847458
84 PHE ALN ARG ARG ARG ARG SLL ARG 00S 0.428571 0.741379
85 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.427536 0.726027
86 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.427481 0.790323
87 TYR GLN SER LYS LEU 0.42735 0.754098
88 SER ARG TYR TRP ALA ILE ARG THR ARG 0.426667 0.779412
89 GLU THR VAL ARG PHE GLN SER ASP 0.426471 0.8
90 5JP PRO LYS ARG ILE ALA 0.426357 0.638889
91 ARG ARG ARG ARG TRP ARG GLU ARG GLN 0.426357 0.774194
92 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.425373 0.714286
93 ACE PHE LYS PHE TA2 ALA LEU ARG NH2 0.423358 0.806452
94 CYS THR GLU LEU LYS LEU SER ASP TYR 0.422222 0.730159
95 GLU GLU GLN GLU GLU TYR 0.421569 0.727273
96 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.421429 0.734375
97 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.421053 0.676056
98 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.42069 0.791045
99 GLY ASN PHE LEU GLN SER ARG 0.419847 0.734375
100 PHE LEU ALA TYR LYS 0.418033 0.824561
101 PHE LEU SER TYR LYS 0.418033 0.770492
102 ARG ARG ARG GLU THR GLN VAL 0.417391 0.766667
103 GLU VAL TYR GLU SER 0.417391 0.741379
104 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.417266 0.87931
105 ASP PHE GLU ASP TYR GLU PHE ASP 0.415254 0.728814
106 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.414634 0.739726
107 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.414474 0.746479
108 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.414286 0.803279
109 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.413793 0.691176
110 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.413333 0.676056
111 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.412587 0.898305
112 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.412587 0.769231
113 ACE ILE TYR GLU SER LEU 0.411765 0.677419
114 LYS ARG LYS 0.411765 0.763636
115 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.411765 0.754098
116 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.410448 0.8125
117 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.409396 0.75
118 VAL ALA PHE ARG SER 0.408333 0.775862
119 ALA ARG THR LYS GLN THR ALA ARG LYS 0.408 0.779661
120 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.407692 0.741935
121 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.407407 0.714286
122 THR ASN GLU PHE ALA PHE 0.40708 0.637931
123 ARG ASP ARG ALA ALA LYS LEU 0.40708 0.77193
124 THR SER ARG HIS LYS ALY LEU MET ALA 0.406897 0.671233
125 VAL LEU CIR ASP ASP LEU LEU GLU ALA 0.405172 0.683333
126 LYS ARG ARG LYS SEP VAL 0.405172 0.656716
127 ARG GLY TYR VAL TYR GLN GLY LEU 0.404412 0.913793
128 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.403846 0.742424
129 ALA PTR ARG 0.403509 0.761905
130 ACE LYS ARG ARG LYS SEP VAL 0.403361 0.656716
131 SER ILE ILE ASN PHE GLU LYS LEU 0.402985 0.65625
132 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.402878 0.703125
133 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.401961 0.763636
134 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.4 0.754098
135 ARG GLU ARG SER PRO THR ARG 0.4 0.666667
136 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.4 0.734375
137 THR ARG ARG GLU THR GLN LEU 0.4 0.754098
138 PHE LEU GLU LYS 0.4 0.719298
139 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.4 0.721311
Similar Ligands (3D)
Ligand no: 1; Ligand: SER SER ARG LYS GLU TYR TYR ALA; 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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