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
901.012 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 1256 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 = 2.4 mM 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 1068 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 = 2.4 mM 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 922 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 = 2.4 mM ASN LYS ASP LYS GLU TYR TYR VAL ANS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER SER ARG LYS GLU TYR TYR ALA; Similar ligands found: 172
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 0.644231 0.898305
3 ALA ARG THR GLU LEU TYR ARG SER LEU 0.637168 0.83871
4 GLU LEU ARG ARG LYS MET MET TYR MET 0.627273 0.854839
5 THR ASN GLU TYR LYS VAL 0.607843 0.775862
6 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.605042 0.932203
7 GLY GLY LYS LYS ARG TYR LYS LEU 0.598131 0.913793
8 GLY GLY ARG LYS LYS TYR LYS LEU 0.598131 0.913793
9 GLY GLY LYS LYS LYS TYR ARG LEU 0.598131 0.913793
10 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.585586 0.754098
11 SER GLU LEU GLU ILE LYS ARG TYR 0.576271 0.854839
12 THR ASN GLU PHE TYR ALA 0.575472 0.716667
13 SER ASP TYR GLN ARG LEU 0.575472 0.87931
14 THR TYR LYS PHE PHE GLU GLN 0.570093 0.810345
15 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.570093 0.810345
16 GLU LEU LYS TPO GLU ARG TYR 0.566667 0.791045
17 ALA TYR ARG 0.557895 0.872727
18 GLU ASN GLN LYS GLU TYR PHE PHE 0.550459 0.807018
19 GLU LEU LYS ARG LYS MET ILE TYR MET 0.548387 0.854839
20 ASP ALA GLU PHE ARG HIS ASP 0.530435 0.774194
21 LEU GLU LYS ALA ARG GLY SER THR TYR 0.530303 0.84127
22 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.523438 0.881356
23 PHE ARG TYR LEU GLY 0.522124 0.913793
24 GLU GLN TYR LYS PHE TYR SER VAL 0.521739 0.816667
25 ALA LYS PHE ARG HIS ASP 0.521739 0.790323
26 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.52 0.866667
27 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.519685 0.85
28 THR LYS ASN TYR LYS GLN PHE SER VAL 0.517241 0.774194
29 ALA ARG THR MLY GLN THR ALA ARG TYR 0.516393 0.779412
30 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.512821 0.671429
31 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.512397 0.881356
32 GLU LEU ASN ARG LYS MET ILE TYR MET 0.511278 0.815385
33 THR ASN GLU TYR TYR VAL 0.509804 0.741379
34 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.507353 0.84127
35 GLU LEU ASP LYS TYR ALA SER 0.5 0.737705
36 ACE ALA ARG THR GLU VAL TYR NH2 0.5 0.864407
37 ALA GLN PHE SER ALA SER ALA SER ARG 0.5 0.783333
38 GLY GLY LYS LYS LYS TYR GLN LEU 0.5 0.810345
39 ALA THR VAL ARG THR TYR SER CYS 0.5 0.806452
40 GLY GLY LYS LYS LYS TYR LYS LEU 0.495327 0.793103
41 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.494505 0.763636
42 TYR PRO LYS ARG ILE ALA 0.492188 0.764706
43 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.491071 0.779661
44 GLU VAL TYR GLU SER 0.490566 0.724138
45 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.490566 0.745763
46 LYS TYR LYS 0.489362 0.763636
47 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.488372 0.85
48 PHE TYR ARG ALA LEU MET 0.487805 0.852459
49 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.485981 0.651515
50 ASP ALA ASP GLU TYR LEU 0.481818 0.677966
51 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.479339 0.762712
52 ASP ALA GLU PHE ARG HIS ASP SER 0.47619 0.774194
53 ALA ARG THR LYS GLN THR ALA ARG LYS 0.473684 0.779661
54 ALA ARG THR LYS GLN THR ALA ARG 0.473684 0.779661
55 THR ASN GLU PHE TYR PHE 0.471698 0.719298
56 LYS ARG ARG LYS SEP VAL 0.471154 0.656716
57 ALA PTR ARG 0.471154 0.761905
58 ARG GLY TYR LEU TYR GLN GLY LEU 0.471074 0.913793
59 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.469027 0.775862
60 SER GLU ILE GLU PHE ALA ARG LEU 0.468254 0.758065
61 ASP GLU LEU GLU ILE LYS ALA TYR 0.467742 0.762712
62 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.467153 0.883333
63 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.464286 0.791045
64 GLY ASP GLU VAL LYS VAL PHE ARG 0.464 0.827586
65 ARG GLU ALA ALA 0.463918 0.781818
66 ARG GLU ARG SER PRO THR ARG 0.463636 0.666667
67 THR LYS ASN TYR LYS GLN THR SER VAL 0.463415 0.758065
68 SER ARG TYR TRP ALA ILE ARG THR ARG 0.460993 0.779412
69 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.460432 0.75
70 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.460317 0.738462
71 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.458333 0.734375
72 ALA GLU THR PHE TYR VAL ASP GLY 0.457627 0.7
73 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.457447 0.75
74 SER SER ILE GLU PHE ALA ARG LEU 0.457364 0.746032
75 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.456693 0.725806
76 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.454545 0.827586
77 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.453125 0.8
78 GLU GLU GLN GLU GLU TYR 0.452632 0.709091
79 GLY LEU TYR ALA SER LYS LEU ALA 0.452174 0.709677
80 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.45 0.728814
81 ALA ARG M3L SER 0.446602 0.637681
82 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.446541 0.760563
83 ACE ILE TYR GLU SER LEU 0.446429 0.677419
84 ASP PHE GLU ASP TYR GLU PHE ASP 0.446429 0.719298
85 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.445312 0.730159
86 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.444444 0.734375
87 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.444444 0.794118
88 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.443396 0.767857
89 GLY ARG PHE GLN VAL THR 0.442478 0.77193
90 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.442029 0.685714
91 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.44186 0.898305
92 ALA ARG THR M3L GLN THR ALA ARG 0.440678 0.671429
93 ALA PRO ALA LEU ARG VAL VAL LYS 0.439252 0.77193
94 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.439024 0.741935
95 VAL ALA PHE ARG SER 0.438596 0.775862
96 ASP SER TRP LYS ASP GLY CYS TYR 0.438462 0.723077
97 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.437956 0.786885
98 ALA THR ALA ALA ALA THR GLU ALA TYR 0.4375 0.677966
99 LYS ARG LYS 0.43617 0.763636
100 GLU THR VAL ARG PHE GLN SER ASP 0.43609 0.786885
101 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.435897 0.754098
102 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.434783 0.657143
103 ALA ARG THR M3L GLN THR ALA 0.434783 0.657143
104 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.434783 0.657143
105 TYR GLN SER LYS LEU 0.433628 0.754098
106 PHE LEU SER TYR LYS 0.431034 0.754098
107 PHE LEU ALA TYR LYS 0.431034 0.789474
108 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.430769 0.733333
109 CYS THR GLU LEU LYS LEU SER ASP TYR 0.430769 0.714286
110 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.42963 0.734375
111 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.428571 0.763889
112 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.428571 0.87931
113 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.428571 0.803279
114 LYS ALA ALA ARG ALY SER ALA PRO ALA 0.428571 0.721311
115 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.427586 0.712121
116 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.427536 0.793651
117 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.427536 0.726027
118 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.427419 0.641791
119 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.426752 0.739726
120 ALA ARG THR ALY GLN THR ALA 0.426087 0.754098
121 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.425532 0.791045
122 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.425373 0.714286
123 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.42446 0.691176
124 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.423841 0.768116
125 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.423077 0.737705
126 ARG ARG ALA ALA 0.42268 0.75
127 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.422414 0.676471
128 ALA ARG THR MLY GLN THR ALA 0.422414 0.676471
129 LYS LYS LYS ALA 0.422222 0.636364
130 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.420561 0.6875
131 ALA ARG TPO LYS 0.420561 0.692308
132 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.42029 0.898305
133 LYS ARG LYS ARG LYS ARG LYS ARG 0.42 0.714286
134 ALA ARG THR MLY GLN 0.419643 0.701493
135 ALA TRP LEU PHE GLU ALA 0.419355 0.603175
136 ALA ARG THR M3L GLN THR ALA ARG LYS 0.418803 0.657143
137 ARG GLY TYR VAL TYR GLN GLY LEU 0.418605 0.913793
138 SER ILE ILE ASN PHE GLU LYS LEU 0.417323 0.65625
139 ARG ARG ARG ARG SER TRP TYR 0.417323 0.757576
140 GLY ASN PHE LEU GLN SER ARG 0.417323 0.734375
141 PHE LEU GLU LYS 0.412844 0.684211
142 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.412214 0.8125
143 GLU ASN LEU TYR PHE GLN 0.411765 0.733333
144 ALA ARG LYS ILE ASP ASN LEU ASP 0.41129 0.741935
145 ALA ARG LYS LEU ASP 0.409524 0.775862
146 ALA GLU THR PHE 0.409524 0.637931
147 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.409396 0.746479
148 THR ARG ARG GLU THR GLN LEU 0.408696 0.754098
149 TYR HIS SEP VAL VAL ARG TYR ALA 0.408451 0.712329
150 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.407407 0.671875
151 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.406897 0.676056
152 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.40678 0.730159
153 ALA ARG THR MLY GLN THR ALA ARG LYS 0.406504 0.676471
154 GLU ILE ILE ASN PHE GLU LYS LEU 0.40625 0.672131
155 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.40625 0.754098
156 ARG VAL LEU PHE GLU ALA MET 0.406015 0.786885
157 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.405797 0.734375
158 ALA ARG THR 4WQ GLN THR ALA ARG LYS SER 0.405405 0.703125
159 SEP GLN GLU TYR NH2 0.405405 0.636364
160 THR ASN GLU PHE ALA PHE 0.405405 0.649123
161 ALA THR ARG ASN PHE SER GLY 0.404762 0.758065
162 ALA ARG SER HIS SEP TYR PRO ALA 0.403974 0.658228
163 LYS ALA ALA ARG M3L SER ALA 0.403361 0.619718
164 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.402685 0.771429
165 ARG ASP ARG ALA ALA LYS LEU 0.401869 0.77193
166 BP4 CYS DAR TYR PEA 0.4 0.847458
167 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.4 0.629032
168 SER ILE ILE GLY PHE GLU LYS LEU 0.4 0.650794
169 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.4 0.769231
170 THR SER ARG HIS LYS ALY LEU MET ALA 0.4 0.671233
171 ASP PHE GLU GLU ILE 0.4 0.62069
172 ALA ALA TRP LEU PHE GLU ALA 0.4 0.603175
Similar Binding Sites (Proteins are less than 50% similar to leader)
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