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Receptor
PDB id Resolution Class Description Source Keywords
2Z3N 2.5 Å EC: 2.3.2.6 COMPLEX STRUCTURE OF LF-TRANSFERASE AND PEPTIDE B ESCHERICHIA COLI LF-TRANSFERASE
Ref.: PROTEIN-BASED PEPTIDE-BOND FORMATION BY AMINOACYL-TRNA PROTEIN TRANSFERASE NATURE V. 449 867 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PHE ARG TYR LEU GLY C:301;
D:401;
Valid;
Valid;
none;
none;
submit data
655.777 n/a O=C(N...
TAR A:501;
B:502;
Invalid;
Invalid;
none;
none;
submit data
150.087 C4 H6 O6 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Z3N 2.5 Å EC: 2.3.2.6 COMPLEX STRUCTURE OF LF-TRANSFERASE AND PEPTIDE B ESCHERICHIA COLI LF-TRANSFERASE
Ref.: PROTEIN-BASED PEPTIDE-BOND FORMATION BY AMINOACYL-TRNA PROTEIN TRANSFERASE NATURE V. 449 867 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2Z3N - PHE ARG TYR LEU GLY 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 1 families.
1 2Z3N - PHE ARG TYR LEU GLY 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 1 families.
1 2Z3N - PHE ARG TYR LEU GLY n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PHE ARG TYR LEU GLY; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 PHE ARG TYR LEU GLY 1 1
2 SER LEU ARG PHE LEU TYR GLU GLY 0.675439 0.933333
3 PHE TYR ARG ALA LEU MET 0.675439 0.9
4 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.672269 0.916667
5 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.649573 0.982456
6 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.611111 0.982456
7 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.6 0.883333
8 SER ASP TYR GLN ARG LEU 0.6 0.929825
9 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.582677 0.931035
10 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.571429 0.965517
11 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.554745 0.887097
12 PHE LEU SER TYR LYS 0.553571 0.786885
13 GLU LEU ARG ARG LYS MET MET TYR MET 0.552846 0.84127
14 GLY GLY ARG LYS LYS TYR LYS LEU 0.547009 0.931035
15 GLY GLY LYS LYS ARG TYR LYS LEU 0.547009 0.931035
16 GLY GLY LYS LYS LYS TYR ARG LEU 0.547009 0.931035
17 ARG GLY TYR LEU TYR GLN GLY LEU 0.545455 1
18 PHE LEU ALA TYR LYS 0.539823 0.842105
19 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.537879 0.931035
20 ARG ARG LEU ILE PHE NH2 0.535714 0.775862
21 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.534884 0.883333
22 ALA ARG THR GLU LEU TYR ARG SER LEU 0.531746 0.854839
23 SER SER ARG LYS GLU TYR TYR ALA 0.525862 0.913793
24 ASP ASP LEU TYR GLY 0.52381 0.793103
25 TYR GLY GLY PHE LEU 0.518182 0.842105
26 ASP ALA GLU PHE ARG HIS ASP 0.516949 0.807018
27 SER GLU ILE GLU PHE ALA ARG LEU 0.507812 0.803279
28 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.507576 0.85
29 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.504425 0.725806
30 GLU ASN LEU TYR PHE GLN 0.504274 0.779661
31 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.503704 0.784615
32 THR ASN GLU PHE TYR PHE 0.5 0.694915
33 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.5 0.833333
34 SER GLU LEU GLU ILE LYS ARG TYR 0.5 0.84127
35 GLY ASN PHE LEU GLN SER ARG 0.496 0.806452
36 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.495868 0.852459
37 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.492754 0.803279
38 GLU LEU LYS ARG LYS MET ILE TYR MET 0.492647 0.84127
39 TYR GLN PHE 0.490196 0.732143
40 SER SER ILE GLU PHE ALA ARG LEU 0.484848 0.790323
41 PHQ LEU VAL ARG TYR 0.483871 0.9
42 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.480916 0.816667
43 GLU ASN GLN LYS GLU TYR PHE PHE 0.478992 0.737705
44 ARG GLY TYR VAL TYR GLN GLY LEU 0.476923 1
45 GLU THR PHE TYR VAL ASP GLY 0.47541 0.8
46 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.474138 0.803571
47 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.472973 0.797101
48 BP4 CYS DAR TYR PEA 0.472 0.864407
49 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.470588 0.835821
50 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.469697 0.779661
51 DTY ILE ARG LEU LPD 0.46875 0.764706
52 LYS VAL LEU PHE LEU ASP GLY 0.466667 0.741379
53 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.466667 0.929825
54 GLU THR VAL ARG PHE GLN SER ASP 0.466165 0.816667
55 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.465753 0.808824
56 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.463235 0.806452
57 ALA GLN PHE SER ALA SER ALA SER ARG 0.46281 0.770492
58 ARG THR PHE SER PRO THR TYR GLY LEU 0.462585 0.777778
59 ARG ARG PHE AIB ALA MET LEU ALA 0.462121 0.734375
60 GLU LEU ASN ARG LYS MET ILE TYR MET 0.462069 0.80303
61 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.461538 0.857143
62 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.460432 0.898305
63 ALA THR VAL ARG THR TYR SER CYS 0.460317 0.822581
64 GLU LEU LYS TPO GLU ARG TYR 0.459854 0.779412
65 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.459459 0.746269
66 ARG TYR GLY PHE VAL ALA ASN PHE 0.459259 0.932203
67 THR TYR LYS PHE PHE GLU GLN 0.458333 0.754098
68 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.458333 0.754098
69 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.457364 0.813559
70 GLU GLN TYR LYS PHE TYR SER VAL 0.456693 0.774194
71 LEU GLU LYS ALA ARG GLY SER THR TYR 0.455172 0.857143
72 ASN ARG LEU MET LEU THR GLY 0.453782 0.723077
73 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.453333 0.823529
74 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.453333 0.797101
75 ALA LYS PHE ARG HIS ASP 0.453125 0.723077
76 VAL ALA PHE ARG SER 0.452991 0.793103
77 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.452381 0.766667
78 ACE PHE LYS PHE TA2 ALA LEU ARG NH2 0.451852 0.793651
79 TYR HIS SEP VAL VAL ARG TYR ALA 0.450704 0.702703
80 TYR GLY GLY PHE MET 0.449153 0.770492
81 ASP PHE GLU ASP TYR GLU PHE ASP 0.448276 0.716667
82 TYR GLN SER LYS LEU 0.448276 0.770492
83 ASP ALA GLU PHE ARG HIS ASP SER 0.447761 0.734375
84 ALA PHE ARG ILE PRO LEU THR ARG 0.447552 0.684932
85 LEU GLU PHE GLN GLY 0.447368 0.767857
86 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.444444 0.662162
87 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.443609 0.8
88 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.443609 0.8
89 PTR LEU ARG VAL ALA 0.443548 0.796875
90 THR PHE GLN ALA PSA LEU ARG GLU 0.441379 0.868852
91 ALA THR ARG ASN PHE SER GLY 0.440945 0.774194
92 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.440559 0.681159
93 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.440298 0.761194
94 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.43871 0.727273
95 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.437956 0.758065
96 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.4375 0.720588
97 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.43662 0.723077
98 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.435897 0.739726
99 GLY GLY LYS LYS LYS TYR LYS LEU 0.435897 0.827586
100 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.435115 0.79661
101 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.434783 0.716216
102 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.433566 0.870968
103 THR ASN GLU PHE TYR ALA 0.433333 0.704918
104 THR ASN GLU TYR LYS VAL 0.433333 0.766667
105 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.433121 0.774648
106 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.433071 0.793103
107 GLY ARG PHE GLN VAL THR 0.432 0.859649
108 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.43125 0.753425
109 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.431034 0.75
110 GLY GLY LYS LYS LYS TYR GLN LEU 0.430894 0.827586
111 TYR LEU PHE VAL GLN ARG ASP SER LYS GLU 0.43 0.696429
112 ACE ALA ARG THR GLU VAL TYR NH2 0.429688 0.881356
113 THR ASN GLU TYR TYR VAL 0.428571 0.745763
114 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.427673 0.743243
115 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.425676 0.739726
116 SER GLN TYR TYR TYR ASN SER LEU 0.425 0.758065
117 SER ARG TYR TRP ALA ILE ARG THR ARG 0.423841 0.768116
118 ACE ARG ARG LEU ASN FCL NH2 0.422764 0.723077
119 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.422414 0.754386
120 ASP ASP MET GLY PHE GLY LEU PHE ASP 0.422414 0.754386
121 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.422078 0.760563
122 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.421053 0.8
123 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.42069 0.7
124 ARG ILE PHE SER 0.420168 0.779661
125 ARG GLN ALA ASN PHE LEU GLY LYS 0.418033 0.683333
126 ACE PHE ALA TYR M3L SER NH2 0.418033 0.661972
127 THR PRO ASP TYR PHE LEU 0.416667 0.806452
128 ARG VAL LEU PHE GLU ALA MET 0.416058 0.774194
129 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.415385 0.786885
130 ASN ARG LEU LEU LEU THR GLY 0.414414 0.766667
131 ACE ARG ARG B3L MEA NH2 0.413223 0.723077
132 ALA PTR ARG 0.412281 0.75
133 THR LYS ASN TYR LYS GLN PHE SER VAL 0.412214 0.761905
134 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.412121 0.72973
135 ALA ARG THR MLY GLN THR ALA ARG TYR 0.411765 0.768116
136 PRO LEU GLU PSA ARG LEU 0.411348 0.784615
137 DPN PRO DAR CYS NH2 0.41129 0.608696
138 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.409938 0.742857
139 ARG ARG GLY LEU NH2 0.409524 0.77193
140 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.409091 0.827586
141 GLY ASN TYR SER PHE TYR ALA LEU 0.408 0.758065
142 GLU LEU ASP LYS TYR ALA SER 0.407692 0.770492
143 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.407407 0.680556
144 ARG TYR PRO LEU THR PHE GLY TRP 0.407186 0.767123
145 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.40625 0.662162
146 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.406015 0.813559
147 VAL MET ALA PRO ARG THR LEU PHE LEU 0.405229 0.657895
148 ASP ALA ASP GLU TYR LEU 0.404959 0.741379
149 PHE LEU THR GLY ILE GLY ILE ILE THR VAL 0.404762 0.688525
150 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.40458 0.758065
151 PHE GLU ALA ASN GLY ASN LEU ILE 0.402985 0.704918
152 LYS ALA LEU TYR ASN PHE ALA THR MET 0.402778 0.742424
153 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.402685 0.724638
154 DPN PRO DAR DTH NH2 0.401575 0.657143
155 TYR PRO LYS ARG ILE ALA 0.401408 0.753623
156 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.401274 0.731343
157 SER SER TYR ARG ARG PRO VAL GLY ILE 0.4 0.716216
158 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.4 0.636364
159 TYR LEU GLY ALA ASN GLY 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Z3N; Ligand: PHE ARG TYR LEU GLY; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 2z3n.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 6F9G PUT 2.57511
2 4RPM HXC 2.57511
3 5WBF LAC 4.72103
4 4DZ1 DAL 5.01931
5 2J5B TYE 7.29614
6 3PB9 1BN 7.29614
7 1T0S BML 9.30233
Pocket No.: 2; Query (leader) PDB : 2Z3N; Ligand: PHE ARG TYR LEU GLY; Similar sites found with APoc: 10
This union binding pocket(no: 2) in the query (biounit: 2z3n.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4DBH OXL 1.71674
2 6BA2 7KM 2.57511
3 2XG5 EC2 2.75229
4 2XG5 EC5 2.75229
5 5N53 8NB 3.07692
6 5YSQ INS 3.43348
7 5NTH BB2 5.15021
8 1EU1 GLC 6.43777
9 2JIG PD2 7.58929
10 3IWD M2T 14.7059
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