-->
Receptor
PDB id Resolution Class Description Source Keywords
4EWN 1.9 Å EC: 4.1.3.- STRUCTURE OF HISF-D130V+D176V WITH BOUND RCDRP THERMOTOGA MARITIMA LYASE
Ref.: A SUGAR ISOMERIZATION REACTION ESTABLISHED ON VARIO (BETA-ALPHA)8-BARREL SCAFFOLDS IS BASED ON SUBSTRATE-ASSISTED CATALYSIS PROTEIN ENG.DES.SEL. V. 25 751 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0VR D:400;
Valid;
none;
Kd = 0.2 uM
351.246 C12 H18 N O9 P c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EWN 1.9 Å EC: 4.1.3.- STRUCTURE OF HISF-D130V+D176V WITH BOUND RCDRP THERMOTOGA MARITIMA LYASE
Ref.: A SUGAR ISOMERIZATION REACTION ESTABLISHED ON VARIO (BETA-ALPHA)8-BARREL SCAFFOLDS IS BASED ON SUBSTRATE-ASSISTED CATALYSIS PROTEIN ENG.DES.SEL. V. 25 751 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4EWN Kd = 0.2 uM 0VR C12 H18 N O9 P c1ccc(c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4EWN Kd = 0.2 uM 0VR C12 H18 N O9 P c1ccc(c(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4EWN Kd = 0.2 uM 0VR C12 H18 N O9 P c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0VR; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 137 1 1
2 0VR 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EWN; Ligand: 0VR; Similar sites found with APoc: 294
This union binding pocket(no: 1) in the query (biounit: 4ewn.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1I7E IBS None
2 6HTO MET 1.18577
3 6HTO 5AD 1.18577
4 4WGF HX2 1.95122
5 4I9A NCN 1.97628
6 1RP0 AHZ 1.97628
7 3X01 AMP 1.97628
8 3A7R LAQ 1.97628
9 1WD4 AHR 1.97628
10 1TRD PGH 2
11 2F6U CIT 2.13675
12 3KYF 5GP 5GP 2.1645
13 1VKO NAD 2.37154
14 3PE2 E1B 2.37154
15 6F3M NAD 2.37154
16 4M52 M52 2.37154
17 5KJW 53C 2.37154
18 3FPF MTA 2.37154
19 3FPF TNA 2.37154
20 5YSQ INS 2.37154
21 1L5Y BEF 2.58065
22 3EXS 5RP 2.71493
23 4A22 TD4 2.7668
24 4LOC OXM 2.7668
25 3TDC 0EU 2.7668
26 4USQ FAD 2.7668
27 5EXK MET 2.7668
28 5DRB 5FJ 2.7668
29 4YVN EBS 2.7668
30 4XQC NAD 2.7668
31 3VPD ANP 2.7668
32 2PLK P3D 2.7668
33 1EFY BZC 2.7668
34 2BTM PGA 2.77778
35 1QDS PGA 2.78884
36 5EYW PGA 2.81124
37 2YPI PGA 2.83401
38 3ESS 18N 3.04348
39 5CIC 51R 3.06122
40 4NAE 1GP 3.11111
41 4BI7 PGA 3.16206
42 1PS9 FMN 3.16206
43 2XMY CDK 3.16206
44 4RF7 ARG 3.16206
45 3QVP FAD 3.16206
46 5JKG 6LF 3.16206
47 5TTJ FAD 3.16206
48 3VKC FPQ 3.55731
49 5MW4 5JU 3.55731
50 5TS5 FAD 3.55731
51 5OLK DTP 3.55731
52 2OO0 PLP 3.55731
53 3DAK ANP 3.55731
54 4MDH NAD 3.55731
55 3ITJ CIT 3.55731
56 6BVE PGA 3.67347
57 4UTU LRY 3.93013
58 4UTW RFW 3.93013
59 3TAO PGH 3.95257
60 3KRU FMN 3.95257
61 1OFD FMN 3.95257
62 1OFD AKG 3.95257
63 1UJP CIT 3.95257
64 2NU8 COA 3.95257
65 2AWN ADP 3.95257
66 1AL8 DHP 3.95257
67 1AL8 FMN 3.95257
68 1VYP TNF 3.95257
69 1VYP FMN 3.95257
70 4WZH FMN 3.95257
71 5T8U LPA 3.95257
72 4LH7 1X8 3.95257
73 3DLS ADP 3.95257
74 4UWH JXM 3.95257
75 1IR1 CAP 3.95257
76 2FLI DX5 4.09091
77 5OF1 SAL 4.28571
78 2FJK 13P 4.34783
79 2EB5 OXL 4.34783
80 4XH0 ADP 4.34783
81 5HSA FAS 4.34783
82 5OES ADP 4.34783
83 4QNW FMN 4.34783
84 4M3P HCS 4.34783
85 1DBT U5P 4.34783
86 4YMJ 4EJ 4.34783
87 1RBL CAP 4.58716
88 1Q6O LG6 4.62963
89 1VBO MAN MAN MAN 4.69799
90 2Q8Z NUP 4.74308
91 3UWV 2PG 4.74308
92 3GAY P6T 4.74308
93 1JCM 137 4.74308
94 3ATY FMN 4.74308
95 2ZRU FMN 4.74308
96 2Z48 NGA 4.74308
97 1WB4 SXX 4.74308
98 4YMZ 13P 4.78088
99 1LYX PGA 4.83871
100 1EIX BMQ 4.89796
101 4BXF AKG 4.97738
102 4Y8D 49J 5
103 5WS9 ATP 5.13834
104 4N02 FNR 5.13834
105 5VJE GOS 5.13834
106 4HKP TKW 5.13834
107 1JXZ BCA 5.13834
108 1NZY BCA 5.13834
109 1M5W DXP 5.13834
110 1RM0 NAI 5.13834
111 5ABH YWN 5.13834
112 5G48 1FL 5.13834
113 2W92 NGT 5.13834
114 4GYI ADP 5.13834
115 2VN9 GVD 5.13834
116 4I94 ANP 5.13834
117 5AWM ANP 5.13834
118 1OIJ AKG 5.13834
119 4HKP 16B 5.13834
120 3HQP FDP 5.13834
121 4HA6 FAD 5.5336
122 4CCK OGA 5.5336
123 1P4C FMN 5.5336
124 2QCD U5P 5.5336
125 4BHL ARG 5.5336
126 6BFG FMN 5.5336
127 4CCO OGA 5.5336
128 5Y6Q FAD 5.55556
129 4FK7 P34 5.67686
130 2GJN NIS 5.79268
131 2GJN FMN 5.79268
132 1I82 BGC BGC 5.82011
133 1NX4 AKG 5.86081
134 1W8S FBP 5.92885
135 2RDT FMN 5.92885
136 2RDT 2RD 5.92885
137 2Q3R FMN 5.92885
138 3Q9T FAY 5.92885
139 5E9G GLV 5.92885
140 2IVD FAD 5.92885
141 1X1Z BMP 5.95238
142 1GU3 BGC BGC BGC BGC BGC 6.04027
143 5ZMY TAR 6.05096
144 3BW2 FMN 6.23306
145 5J5R 6G1 6.32411
146 5J5R IMP 6.32411
147 5TH5 MET 6.32411
148 5M0T AKG 6.32411
149 5OCS FMN 6.469
150 1LOR BMP 6.57895
151 5F7Y GLC GAL NAG GAL FUC A2G 6.66667
152 1DQX BMP 6.71937
153 4JIQ FMN 6.71937
154 4JIQ 1L5 6.71937
155 3E7O 35F 6.71937
156 6EK3 OUL 6.71937
157 2YNE YNE 6.71937
158 2YNE NHW 6.71937
159 6G34 5ID 6.71937
160 4A59 AMP 6.71937
161 1VKF CIT 6.91489
162 5AHM IMP 7.11462
163 6AC9 ANP 7.11462
164 2VDH CAP 7.14286
165 1IR2 CAP 7.14286
166 2V63 CAP 7.14286
167 2V6A CAP 7.14286
168 2V67 CAP 7.14286
169 2V68 CAP 7.14286
170 1GK8 CAP 7.14286
171 1SW0 PGA 7.25806
172 5AHN IMP 7.36196
173 1HE1 AF3 7.38636
174 1UZD CAP 7.46269
175 1CX9 NHP 7.50988
176 1GTE IUR 7.50988
177 1GTE FMN 7.50988
178 3N9R TD3 7.50988
179 3OIX FMN 7.50988
180 5AWQ GLC GLC 7.50988
181 3C56 PH4 7.50988
182 5N9Z CAP 7.50988
183 2BLE 5GP 7.62943
184 2HSA FMN 7.90514
185 1OVD ORO 7.90514
186 5XFV FMN 7.90514
187 3MJY IJZ 7.90514
188 1OVD FMN 7.90514
189 6C4A PYR 7.90514
190 2Q3O FMN 7.90514
191 1VMK GUN 7.90514
192 3MJY FMN 7.90514
193 3C3N FMN 7.90514
194 6CZI 38E 8.03571
195 1UZH CAP 8.19672
196 5GVH FMN 8.28025
197 2OEM 1AE 8.3004
198 4CW5 FMN 8.3004
199 2WEL K88 8.66667
200 4DC2 ADE 8.69565
201 4M5P FMN 8.69565
202 3B0P FMN 9.09091
203 1VHN FMN 9.09091
204 1IGW PYR 9.09091
205 3CTL S6P 9.09091
206 4AG8 AXI 9.09091
207 1ZDQ MSM 9.09091
208 1GVF PGH 9.48617
209 1FDJ 2FP 9.48617
210 1FDJ 13P 9.48617
211 3MI2 PFU 9.48617
212 4NMC FAD 9.48617
213 1TV5 FMN 9.88142
214 4V15 PLP 9.88142
215 4BS0 6NT 9.88142
216 2Z6I FMN 9.93976
217 2FKA BEF 10.0775
218 6BKA FMN 10.2767
219 4Q4K FMN 10.2767
220 6D5H FV7 10.2767
221 6D5M FW4 10.2767
222 6D5L FW7 10.2767
223 6D5J FV4 10.2767
224 6D59 FVJ 10.2767
225 6D5G FVD 10.2767
226 5CSS G3P 10.6195
227 4XP7 FNR 10.6719
228 4IF4 BEF 10.6719
229 1EX7 5GP 10.7527
230 1JW0 GUA 10.7595
231 4UIB GWX 11.0672
232 3QXV MTX 11.1111
233 2C6Q NDP 11.4625
234 2C6Q IMP 11.4625
235 4IGH 1EA 11.8577
236 4IGH FMN 11.8577
237 4IGH ORO 11.8577
238 1UUO FMN 11.8577
239 1UUO BRF 11.8577
240 1UUO ORO 11.8577
241 1G4U AF3 12.253
242 2TPS TPS 12.3348
243 5H20 GLC 12.6126
244 5TCI MLI 12.6482
245 4WZ8 3W7 12.6482
246 2GOO NDG 12.7451
247 5ZCO CHD 12.766
248 1F76 FMN 13.0435
249 1EP2 ORO 13.0435
250 1EP2 FMN 13.0435
251 5ODQ FAD 13.0435
252 2NVA PL2 13.0435
253 3FGZ BEF 13.2812
254 3QH2 3NM 13.4387
255 4YRY FAD 13.4387
256 5OYA CAP 13.6691
257 1RQH PYR 13.834
258 5M90 JIF 13.834
259 4JEJ 1GP 13.9344
260 3LF0 ATP 14.0351
261 2Z6J FMN 14.2292
262 1ME8 RVP 14.2292
263 5M67 ADE 14.2292
264 5M67 NAD 14.2292
265 4Z87 5GP 14.6245
266 4RDL FUC GAL NDG FUC 14.6245
267 4Z0G 5GP 14.6245
268 1GPE FAD 14.6245
269 1WDD CAP 15.0198
270 3AXK NDP 15.0198
271 1LBF 137 15.3846
272 5Y4R C2E 15.415
273 5UPK ANP 15.6757
274 4IXH IMP 16.2055
275 3W9Z FMN 16.6008
276 3OVR 5SP 17.1053
277 1ICP FMN 17.3913
278 1KBJ FMN 17.3913
279 3KDN CAP 17.3913
280 4YP5 NAP 17.6796
281 4AF0 IMP 18.1818
282 1KBI PYR 18.1818
283 1KBI FMN 18.1818
284 5GJO PLP 18.5771
285 5EJL C2E 19.3548
286 1TB3 FMN 21.7391
287 1ZFJ IMP 23.7154
288 4ORM 2V6 28.4585
289 4ORM ORO 28.4585
290 4ORM FMN 28.4585
291 1PVN MZP 33.9921
292 2Y88 2ER 41.3934
293 4UX9 ANP 41.6667
294 5A5W GUO 41.8972
APoc FAQ
Feedback