Receptor
PDB id Resolution Class Description Source Keywords
1RP0 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THI1 PROTEIN FROM ARABIDOPSIS THALIANA ARABIDOPSIS THALIANA PROTEIN LIGAND COMPLEX BIOSYNTHETIC PROTEIN
Ref.: STRUCTURE OF THE THIAZOLE BIOSYNTHETIC ENZYME THI1 ARABIDOPSIS THALIANA. J.BIOL.CHEM. V. 281 30957 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AHZ A:600;
B:601;
Valid;
Valid;
none;
none;
submit data
593.378 C17 H19 N6 O12 P2 S Cc1c(...
HTO A:450;
Invalid;
none;
submit data
148.2 C7 H16 O3 CCCC[...
ZN A:500;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RP0 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THI1 PROTEIN FROM ARABIDOPSIS THALIANA ARABIDOPSIS THALIANA PROTEIN LIGAND COMPLEX BIOSYNTHETIC PROTEIN
Ref.: STRUCTURE OF THE THIAZOLE BIOSYNTHETIC ENZYME THI1 ARABIDOPSIS THALIANA. J.BIOL.CHEM. V. 281 30957 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 1RP0 - AHZ C17 H19 N6 O12 P2 S Cc1c(sc(n1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 1RP0 - AHZ C17 H19 N6 O12 P2 S Cc1c(sc(n1....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1RP0 - AHZ C17 H19 N6 O12 P2 S Cc1c(sc(n1....
2 4Y4L - 48N C17 H24 N6 O14 P2 C[C@@H](C(....
3 3FPZ - AHZ C17 H19 N6 O12 P2 S Cc1c(sc(n1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AHZ; Similar ligands found: 241
No: Ligand ECFP6 Tc MDL keys Tc
1 AHZ 1 1
2 ADP PO3 0.653061 0.860759
3 ADP ALF 0.627451 0.8
4 ALF ADP 0.627451 0.8
5 VO4 ADP 0.621359 0.829268
6 ADP VO4 0.621359 0.829268
7 GAP 0.592233 0.864198
8 ADP BMA 0.587156 0.841463
9 DAL AMP 0.579439 0.898734
10 ATP A A A 0.561404 0.85
11 BA3 0.56 0.817073
12 AF3 ADP 3PG 0.558333 0.813953
13 AMP 0.556701 0.814815
14 A 0.556701 0.814815
15 AR6 AR6 0.555556 0.8625
16 A2D 0.555556 0.817073
17 ABM 0.555556 0.839506
18 B4P 0.554455 0.817073
19 ADP 0.554455 0.817073
20 AP5 0.554455 0.817073
21 AN2 0.54902 0.807229
22 A12 0.544554 0.788235
23 AP2 0.544554 0.788235
24 MYR AMP 0.54386 0.880952
25 CA0 0.543689 0.841463
26 M33 0.543689 0.829268
27 ACP 0.538462 0.797619
28 ATP 0.538462 0.817073
29 HEJ 0.538462 0.817073
30 AT4 0.533981 0.831325
31 PRX 0.533333 0.819277
32 AQP 0.533333 0.817073
33 5FA 0.533333 0.817073
34 APC 0.533333 0.788235
35 AR6 0.533333 0.839506
36 APR 0.533333 0.839506
37 AU1 0.528846 0.797619
38 ADX 0.528846 0.764045
39 ADV 0.528302 0.809524
40 AGS 0.528302 0.821429
41 RBY 0.528302 0.809524
42 SAP 0.528302 0.821429
43 5AL 0.527778 0.875
44 AMP NAD 0.527559 0.875
45 TYR AMP 0.525424 0.843373
46 SRA 0.52 0.819277
47 T99 0.518519 0.831325
48 ANP 0.518519 0.797619
49 TAT 0.518519 0.831325
50 ACQ 0.518519 0.797619
51 9X8 0.517544 0.865854
52 OAD 0.517544 0.864198
53 ARG AMP 0.516667 0.806818
54 LPA AMP 0.516393 0.880952
55 4TA 0.515625 0.786517
56 NAJ PZO 0.515385 0.802326
57 AD9 0.514019 0.797619
58 A A 0.513043 0.817073
59 B5V 0.513043 0.853659
60 50T 0.509434 0.785714
61 3OD 0.508621 0.864198
62 SON 0.504762 0.831325
63 6YZ 0.504505 0.797619
64 SRP 0.504505 0.831325
65 9ZA 0.504425 0.833333
66 9ZD 0.504425 0.833333
67 8QN 0.504425 0.875
68 NAJ PYZ 0.5 0.766667
69 AMO 0.5 0.831325
70 PAJ 0.5 0.813953
71 A3D 0.496183 0.864198
72 TXA 0.495726 0.853659
73 ME8 0.495726 0.858824
74 MAP 0.495575 0.77907
75 ATF 0.495495 0.788235
76 Z5A 0.492647 0.76087
77 NAD 0.492308 0.851852
78 3UK 0.491379 0.864198
79 OOB 0.491228 0.851852
80 5SV 0.491228 0.823529
81 NAQ 0.488889 0.86747
82 TAD 0.487805 0.857143
83 AMP DBH 0.487603 0.841463
84 9SN 0.487395 0.823529
85 4AD 0.486957 0.843373
86 B5Y 0.483333 0.865854
87 B5M 0.483333 0.865854
88 1ZZ 0.483051 0.858824
89 PTJ 0.483051 0.823529
90 NB8 0.483051 0.802326
91 00A 0.482759 0.811765
92 DLL 0.482759 0.851852
93 AHX 0.482759 0.781609
94 A22 0.482456 0.807229
95 NAE 0.481481 0.865854
96 LMS 0.480392 0.744444
97 48N 0.48 0.845238
98 AFH 0.479675 0.772727
99 PO4 PO4 A A A A PO4 0.478632 0.825
100 LAD 0.474576 0.813953
101 WAQ 0.474576 0.833333
102 PR8 0.474576 0.804598
103 ADQ 0.474138 0.819277
104 A1R 0.474138 0.770115
105 A3R 0.474138 0.770115
106 AOC 0.471154 0.731707
107 BIS 0.470588 0.790698
108 5AS 0.46729 0.723404
109 25L 0.466667 0.807229
110 25A 0.465517 0.817073
111 NDE 0.464789 0.853659
112 GTA 0.464 0.816092
113 ZID 0.463768 0.864198
114 F2R 0.462121 0.777778
115 OMR 0.460938 0.848837
116 TXE 0.460938 0.790698
117 LAQ 0.460317 0.858824
118 N01 0.459259 0.875
119 YAP 0.459016 0.821429
120 FA5 0.459016 0.831325
121 NDC 0.458333 0.845238
122 JB6 0.458333 0.833333
123 TSB 0.456897 0.758242
124 A5A 0.45614 0.766667
125 7MD 0.456 0.795455
126 G5A 0.455357 0.723404
127 XAH 0.455285 0.775281
128 TXD 0.453125 0.790698
129 4UW 0.453125 0.835294
130 NAI 0.453125 0.790698
131 DQV 0.452381 0.829268
132 4UV 0.451613 0.821429
133 5CD 0.44898 0.716049
134 54H 0.448276 0.75
135 52H 0.448276 0.741935
136 VMS 0.448276 0.75
137 G3A 0.448 0.802326
138 XYA 0.447917 0.728395
139 ADN 0.447917 0.728395
140 RAB 0.447917 0.728395
141 NMN AMP PO4 0.447761 0.821429
142 3DH 0.446602 0.753086
143 FYA 0.446281 0.785714
144 7MC 0.446154 0.818182
145 YLP 0.445312 0.818182
146 53H 0.444444 0.741935
147 GA7 0.444444 0.788235
148 8X1 0.444444 0.71875
149 4UU 0.444444 0.821429
150 G5P 0.444444 0.802326
151 CNA 0.443609 0.831325
152 NXX 0.44186 0.853659
153 6V0 0.44186 0.781609
154 DND 0.44186 0.853659
155 NAX 0.44186 0.784091
156 SSA 0.439655 0.723404
157 5N5 0.438776 0.707317
158 CNV FAD 0.43871 0.76087
159 G A A A 0.437037 0.823529
160 A G 0.437037 0.833333
161 LSS 0.436975 0.726316
162 7D5 0.436893 0.741176
163 T5A 0.43609 0.758242
164 EP4 0.435644 0.694118
165 7D3 0.435185 0.744186
166 AP0 0.435115 0.802326
167 YLB 0.435115 0.797753
168 YLC 0.435115 0.816092
169 9K8 0.434426 0.755319
170 A4D 0.434343 0.728395
171 U A G G 0.433824 0.833333
172 NVA LMS 0.433333 0.755319
173 AYB 0.432836 0.788889
174 7D4 0.432432 0.744186
175 5CA 0.432203 0.723404
176 A4P 0.431818 0.723404
177 M2T 0.431373 0.717647
178 DTA 0.431373 0.722892
179 UP5 0.430769 0.8
180 A A A 0.429752 0.829268
181 LEU LMS 0.429752 0.736842
182 IOT 0.428571 0.769231
183 U A 0.427536 0.811765
184 TYM 0.427481 0.831325
185 MTA 0.427184 0.731707
186 FAD NBT 0.426752 0.717172
187 COD 0.426471 0.771739
188 ENQ 0.42623 0.8375
189 P5A 0.42623 0.71134
190 SAM 0.426087 0.755814
191 YLA 0.425373 0.777778
192 DSZ 0.425 0.741935
193 NSS 0.425 0.741935
194 4TC 0.424242 0.781609
195 P6G FDA 0.42236 0.774194
196 M24 0.421429 0.804598
197 PAP 0.421053 0.804878
198 6RE 0.420561 0.701149
199 A3P 0.418182 0.814815
200 MAO 0.418182 0.722222
201 GEK 0.416667 0.761905
202 FAD CNX 0.416149 0.747475
203 SFG 0.415929 0.731707
204 5X8 0.415929 0.743902
205 P1H 0.414966 0.786517
206 139 0.414815 0.764045
207 KAA 0.414634 0.71875
208 GSU 0.414634 0.76087
209 7C5 0.414062 0.77381
210 P33 FDA 0.41358 0.714286
211 UPA 0.413534 0.790698
212 DZD 0.413043 0.772727
213 BT5 0.413043 0.829545
214 J7C 0.412844 0.689655
215 IMO 0.412844 0.780488
216 A3N 0.412844 0.682353
217 8PZ 0.412698 0.723404
218 2A5 0.412281 0.776471
219 ZAS 0.411215 0.705882
220 EEM 0.410256 0.735632
221 6AD 0.410256 0.835294
222 80F 0.410072 0.797753
223 YSA 0.409449 0.723404
224 GJV 0.409091 0.693182
225 S4M 0.409091 0.711111
226 ATR 0.408696 0.792683
227 SA8 0.408696 0.732558
228 HMG 0.406452 0.813187
229 BTX 0.405797 0.818182
230 A2P 0.405405 0.802469
231 FAD NBA 0.404762 0.747475
232 ADJ 0.404412 0.766667
233 A3G 0.40367 0.714286
234 SMM 0.403361 0.770115
235 8Q2 0.402985 0.701031
236 3AM 0.401869 0.780488
237 NAJ 0.40146 0.851852
238 YLY 0.401408 0.829545
239 PAX 0.4 0.766667
240 A U 0.4 0.821429
241 A2R 0.4 0.829268
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RP0; Ligand: AHZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1rp0.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1RP0; Ligand: AHZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1rp0.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1RP0; Ligand: AHZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1rp0.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1RP0; Ligand: AHZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1rp0.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1RP0; Ligand: AHZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1rp0.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1RP0; Ligand: AHZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1rp0.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1RP0; Ligand: AHZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1rp0.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1RP0; Ligand: AHZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1rp0.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
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