Receptor
PDB id Resolution Class Description Source Keywords
5TDA 0.79 Å EC: 6.3.2.19 CRYSTAL STRUCTURE OF THE UBR-BOX DOMAIN FROM UBR2 IN COMPLEX N-DEGRON HOMO SAPIENS ZN-FINGER N-END RULE UBR-BOX N-DEGRON LIGASE
Ref.: BOUND WATERS MEDIATE BINDING OF DIVERSE SUBSTRATES UBIQUITIN LIGASE. STRUCTURE V. 25 719 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:202;
A:203;
A:201;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
ARG LEU TRP SER B:1;
Valid;
Atoms found MORE than expected: % Diff = 1.35;
submit data
561.664 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5TDB 1.1 Å EC: 6.3.2.19 CRYSTAL STRUCTURE OF THE HUMAN UBR-BOX DOMAIN FROM UBR2 IN C WITH ASYMMETRICALLY DOUBLE METHYLATED ARGININE PEPTIDE HOMO SAPIENS UBR-BOX N-END RULE ASYMMETRICALLY DOUBLE METHYLATED ARGINILIGASE
Ref.: BOUND WATERS MEDIATE BINDING OF DIVERSE SUBSTRATES UBIQUITIN LIGASE. STRUCTURE V. 25 719 2017
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5TDB Kd = 1.45 uM DA2 ILE PHE SER n/a n/a
2 3NY3 Kd = 19 uM ARG ILE PHE SER n/a n/a
3 5TDA - ARG LEU TRP SER n/a n/a
4 5TDD Kd = 34 uM HIS ILE PHE SER n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 5TDC Kd = 12.88 uM NMM ILE PHE SER n/a n/a
2 5TDB Kd = 1.45 uM DA2 ILE PHE SER n/a n/a
3 3NY3 Kd = 19 uM ARG ILE PHE SER n/a n/a
4 5TDA - ARG LEU TRP SER n/a n/a
5 5TDD Kd = 34 uM HIS ILE PHE SER n/a n/a
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 5TDC Kd = 12.88 uM NMM ILE PHE SER n/a n/a
2 3NIJ - HIS ILE ALA ALA n/a n/a
3 3NII - LYS ILE ALA ALA n/a n/a
4 3NIM Kd = 17.7 uM ARG ARG ALA ALA n/a n/a
5 3NIK Kd = 358.8 uM ARG GLU ALA ALA n/a n/a
6 3NIN - ARG LEU GLY GLU SER n/a n/a
7 5TDB Kd = 1.45 uM DA2 ILE PHE SER n/a n/a
8 3NY3 Kd = 19 uM ARG ILE PHE SER n/a n/a
9 5TDA - ARG LEU TRP SER n/a n/a
10 5TDD Kd = 34 uM HIS ILE PHE SER n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG LEU TRP SER; Similar ligands found: 138
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG LEU TRP SER 1 1
2 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.697248 0.904762
3 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.678899 0.887097
4 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.669643 0.873016
5 GLU LEU GLU LYS TRP ALA SER 0.630631 0.836066
6 GLU LEU ASP LYS TRP ALA SER 0.608696 0.822581
7 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.605505 0.830769
8 GLU LEU ASP NRG TRP ALA SER 0.603175 0.816901
9 GLU LEU ASP ORN TRP ALA SER 0.598291 0.836066
10 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.593496 0.890625
11 GLU LEU ASP HOX TRP ALA SER 0.591667 0.78125
12 GLU LEU ASP HIS TRP ALA SER 0.586777 0.793651
13 ALA LEU ASP LYS TRP ALA SER 0.584071 0.822581
14 ARG ARG ARG ARG SER TRP TYR 0.582609 0.80303
15 LYS TRP LYS 0.578947 0.716667
16 ALA LEU ASP LYS TRP ASP 0.559633 0.758065
17 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.558824 0.859375
18 SER LEU LEU MET TRP ILE THR GLN SER 0.551181 0.75
19 GLU ALA ASP LYS TRP GLN SER 0.55 0.777778
20 GLU LEU ASP LYS TRP ALA ASN 0.53719 0.75
21 LYS TRP 0.531915 0.694915
22 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.528986 0.833333
23 GLU ASN ASP LYS TRP ALA SER 0.528926 0.765625
24 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.528169 0.811594
25 GLU LEU ASP LYS TRP ALA GLY 0.525 0.774194
26 GLU GLN ASP LYS TRP ALA SER 0.52459 0.777778
27 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.521429 0.892308
28 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.519084 0.890625
29 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.515625 0.809524
30 SER LEU LEU MET TRP ILE THR GLN LEU 0.511628 0.75
31 GLU ASP ASN ASP TRP ASN 0.51 0.634921
32 ASP TRP ASN 0.51 0.634921
33 SER ARG TYR TRP ALA ILE ARG THR ARG 0.507246 0.850746
34 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.5 0.785714
35 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.5 0.735294
36 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.496403 0.768116
37 TRP GLU GLU LEU 0.495238 0.762712
38 SER LEU LEU MET TRP ILE THR GLN CYS 0.492537 0.75
39 SER SER VAL VAL GLY VAL TRP TYR LEU 0.492308 0.742424
40 ARG PHE PRO LEU THR PHE GLY TRP 0.489933 0.791667
41 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.489796 0.797101
42 MET LEU ILE TYR SER MET TRP GLY LYS 0.489655 0.69863
43 SER LEU LEU MET TRP ILE THR GLN ALA 0.488722 0.75
44 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.487013 0.773333
45 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.485294 0.734375
46 SER LEU LEU MET TRP ILE THR GLN VAL 0.485075 0.75
47 ALA TRP LEU PHE GLU ALA 0.483333 0.733333
48 MET TRP ARG PRO TRP 0.481203 0.708333
49 ACE GLU TRP TRP TRP 0.480769 0.66129
50 ASP ASN TRP GLN ASN GLY THR SER 0.48062 0.738462
51 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.48062 0.727273
52 ALA LEU ASP LYS TRP GLN ASN 0.478261 0.770492
53 SER SER VAL ILE GLY VAL TRP TYR LEU 0.477941 0.731343
54 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.477124 0.774648
55 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.476821 0.763889
56 SER PRO LEU ASP SER LEU TRP TRP ILE 0.474453 0.69863
57 MET ASN TRP ASN ILE 0.472727 0.671875
58 ARG TYR PRO LEU THR PHE GLY TRP 0.470968 0.77027
59 ALA ARG LYS LEU ASP 0.470588 0.709677
60 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.470149 0.802817
61 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.469388 0.77027
62 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.469027 0.693548
63 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.46875 0.77027
64 ACE TRP ARG VAL PRO 0.468254 0.794118
65 GLY LEU MET TRP LEU SER TYR PHE VAL 0.467153 0.714286
66 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.466216 0.726027
67 01W ARG TRP THR DAB MET LEU GLY 0.466216 0.674699
68 ASP GLU ASP LYS TRP ASP ASP PHE 0.466102 0.68254
69 ASN ASP TRP LEU LEU PRO SER TYR 0.465753 0.684211
70 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.463576 0.763889
71 ARG GLY TYR LEU TYR GLN GLY LEU 0.463415 0.78125
72 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.462069 0.724638
73 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.461538 0.731343
74 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.460993 0.835821
75 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.460526 0.777778
76 ALA ALA TRP LEU PHE GLU ALA 0.460317 0.733333
77 GLU LEU ARG ARG LYS MET MET TYR MET 0.459677 0.710145
78 TYR TRP ALA ALA ALA ALA 0.452174 0.66129
79 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.451807 0.75
80 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.450382 0.770492
81 TYR GLU TRP 0.446429 0.650794
82 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.443038 0.771429
83 ARG LEU GLY GLU SER 0.442105 0.683333
84 ASP TRP GLU ILE VAL 0.441667 0.721311
85 0ZN 0.441441 0.716667
86 GLY SER ASP PRO TRP LYS 0.438462 0.661972
87 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.438017 0.676923
88 PCA LYS TRP 0.434783 0.68254
89 ARG ASP ARG ALA ALA LYS LEU 0.433962 0.733333
90 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.433566 0.8
91 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.432624 0.720588
92 ASP SER TRP LYS ASP GLY CYS TYR 0.431818 0.691176
93 ALA SER ASN GLU ASN TRP GLU THR MET 0.431818 0.735294
94 MET TYR TRP TYR PRO TYR 0.42963 0.613333
95 MET ASP TRP ASN MET HIS ALA ALA 0.42963 0.691176
96 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.427586 0.787879
97 TRP GLY 0.427083 0.633333
98 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.425806 0.779412
99 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.425532 0.704225
100 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.42515 0.774648
101 PRO ALA TRP LEU PHE GLU ALA 0.42446 0.746032
102 PHE LEU SER TYR LYS 0.423729 0.692308
103 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.423529 0.736842
104 PHE TYR ARG ALA LEU MET 0.423077 0.757576
105 ACE TRP HIS THR ALA NH2 NH2 0.421488 0.671875
106 ARG SER ARG 0.421053 0.704918
107 GLN GLU GLU TRP SEP THR VAL MET 0.42029 0.675676
108 R59 0.42 0.666667
109 R38 0.42 0.666667
110 THR SER THR THR SER VAL ALA SER SER TRP 0.419355 0.758065
111 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.419118 0.746269
112 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.418919 0.695652
113 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.417266 0.784615
114 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.417266 0.784615
115 PRO GLN PHE SER LEU TRP LYS ARG 0.417266 0.784615
116 ILE SER PRO ARG THR LEU ASP ALA TRP 0.417178 0.794521
117 FLX 0.415929 0.605634
118 SER TRP PHE PRO 0.414634 0.671429
119 THR LEU PRO TRP ASP LEU TRP THR THR 0.411348 0.671233
120 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.410959 0.685714
121 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.409722 0.808824
122 ILE ASP TRP PHE ASP GLY LYS ASP 0.408759 0.723077
123 ARG HIS LYS ALY LEU MET PHE LYS 0.408451 0.787879
124 SER ASP TYR GLN ARG LEU 0.408333 0.777778
125 ALA PRO ALA TRP LEU PHE GLU ALA 0.408163 0.671429
126 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.406667 0.695652
127 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.406667 0.75
128 GLU LEU LYS ARG LYS MET ILE TYR MET 0.405797 0.710145
129 PCA GLN TRP 0.405172 0.677419
130 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.404959 0.71875
131 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.404255 0.738462
132 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.403846 0.655172
133 PHE ARG TYR LEU GLY 0.403226 0.78125
134 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.402985 0.769231
135 ARG GLY TYR VAL TYR GLN GLY LEU 0.401515 0.78125
136 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.40146 0.777778
137 GLY ASN PHE LEU GLN SER ARG 0.4 0.78125
138 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.4 0.681159
Similar Binding Sites (Proteins are less than 50% similar to leader)
Feedback