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Receptor
PDB id Resolution Class Description Source Keywords
5XLS 2.5 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF URAA IN OCCLUDED CONFORMATION ESCHERICHIA COLI O157:H7 OCCLUDED CONFORMATION DIMER TRANSPORT PROTEIN
Ref.: DIMERIC STRUCTURE OF THE URACIL:PROTON SYMPORTER UR PROVIDES MECHANISTIC INSIGHTS INTO THE SLC4/23/26 TRANSPORTERS CELL RES. V. 27 1020 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KEG A:502;
A:503;
Invalid;
Invalid;
none;
none;
submit data
2877.03 O40 P W12 O=[W]...
URA A:501;
Valid;
none;
submit data
112.087 C4 H4 N2 O2 C1=CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5XLS 2.5 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF URAA IN OCCLUDED CONFORMATION ESCHERICHIA COLI O157:H7 OCCLUDED CONFORMATION DIMER TRANSPORT PROTEIN
Ref.: DIMERIC STRUCTURE OF THE URACIL:PROTON SYMPORTER UR PROVIDES MECHANISTIC INSIGHTS INTO THE SLC4/23/26 TRANSPORTERS CELL RES. V. 27 1020 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 5XLS - URA C4 H4 N2 O2 C1=CNC(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5XLS - URA C4 H4 N2 O2 C1=CNC(=O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 5XLS - URA C4 H4 N2 O2 C1=CNC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: URA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 URA 1 1
2 TUL 0.5 0.725
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5XLS; Ligand: URA; Similar sites found with APoc: 267
This union binding pocket(no: 1) in the query (biounit: 5xls.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3DLS ADP 0.895522
2 1D4D FAD 1.14943
3 4W88 GAL BGC BGC BGC XYS XYS 1.17647
4 2WKQ GTP 1.20482
5 4FWE FAD 1.37931
6 3ZXR P3S 1.37931
7 3ZXR IQ1 1.37931
8 5TE1 7A2 1.37931
9 4NCN GTP 1.37931
10 2CDU ADP 1.37931
11 2PZI AXX 1.37931
12 1NZY BCA 1.48699
13 1JXZ BCA 1.48699
14 5J5Z FAD 1.6092
15 5M67 NAD 1.67015
16 5M67 ADE 1.67015
17 5M67 3D1 1.67015
18 3DAK ANP 1.72414
19 4G1V FAD 1.75439
20 3KJS NAP 1.83908
21 1OZH HE3 1.83908
22 4TWP AXI 1.84502
23 2Z9I GLY ALA THR VAL 1.85185
24 5DH3 5BS 1.90476
25 3RWP ABQ 1.92926
26 4ONA UW1 2.06897
27 4Z87 5GP 2.06897
28 4Z87 GDP 2.06897
29 2ZWI C5P 2.14477
30 1MH1 GNP 2.15054
31 2PIA FMN 2.18069
32 5QIN J2V 2.21519
33 5HES 032 2.28013
34 2IV2 2MD 2.29885
35 4AT0 FAD 2.29885
36 2J7T 274 2.31788
37 4CNG SAH 2.35294
38 4BHN BH9 2.39521
39 1DMY AZM 2.41935
40 4PU5 ANP 2.42826
41 3AKK ADP 2.46154
42 4JWJ SAH 2.47525
43 5MBX FAD 2.52874
44 5MBX SP5 2.52874
45 5TTJ FAD 2.52874
46 2YG3 FAD 2.52874
47 6H3O FAD 2.52874
48 1UPA TPP 2.52874
49 3ZLR X0B 2.53165
50 4CSV STI 2.54545
51 4ASE AV9 2.54958
52 5FPE 3TR 2.58398
53 2E5A LAQ 2.59366
54 1RQL VSO 2.62172
55 6GIN IR2 2.65781
56 4WW8 VD9 2.6616
57 5XVG 8FX 2.73038
58 2ZYI STE 2.75862
59 4NW6 2NS 2.78638
60 6GFK SAH 2.78884
61 6GWR FEW 2.85714
62 4DYG MES 2.86885
63 4QMN DB8 2.90323
64 3RG9 WRA 2.91667
65 3RG9 NDP 2.91667
66 4ZSI 4R1 2.92398
67 5SZH GNP 2.95567
68 3SLS ANP 2.96053
69 3SXS PP2 2.98507
70 1VJY 460 2.98851
71 3VRY B43 2.98851
72 5UR1 YY9 2.98851
73 4MOP 2H5 2.98851
74 4N8I COA 2.98851
75 4Y85 499 3.01205
76 4P5Z Q7M 3.04709
77 3TKL GTP 3.06122
78 2FXV 5GP 3.09278
79 3TKI S25 3.09598
80 4P6G 2FZ 3.09735
81 2HY0 306 3.10559
82 1G4U AF3 3.13316
83 3CTY FAD 3.1348
84 6F7L FAD 3.16742
85 4U0I 0LI 3.1746
86 1REO FAD 3.21839
87 1V97 MTE 3.21839
88 4C3Y FAD 3.21839
89 5IN3 G1P 3.21839
90 3FUU ADN 3.21839
91 5CCM SAM 3.27103
92 3GGF GVD 3.32226
93 1JG3 ADN 3.40426
94 3GFB NAD 3.42857
95 1R27 MGD 3.44828
96 4EUU BX7 3.44828
97 1V7Z CRN 3.46154
98 3GC8 B45 3.51351
99 5DMZ ADP 3.56164
100 4G7A AZM 3.62903
101 5WA0 MSS 3.67816
102 2HK5 1BM 3.7037
103 3E5A VX6 3.73134
104 3H8V ATP 3.76712
105 4PW9 MSS 3.77358
106 5HVJ ANP 3.80952
107 3RI1 3RH 3.83387
108 2V7O DRN 3.86905
109 3KRL KRL 3.8806
110 1PEA ACM 3.8961
111 2IVD FAD 3.90805
112 6GQM F8H 3.96341
113 2OFV 242 3.97112
114 5TDF 7A3 4.01235
115 2W2X GSP 4.03226
116 2DFV NAD 4.03458
117 5OA6 9PT 4.13793
118 4IVG ANP 4.13793
119 4IPE ANP 4.13793
120 4WNP 3RJ 4.18118
121 2VT3 ATP 4.18605
122 6C7Y ADP 4.1958
123 4YMJ 4EJ 4.27632
124 5WO4 B7V 4.30464
125 2PT9 2MH 4.36782
126 2PT9 S4M 4.36782
127 3VHE 42Q 4.45682
128 5YGF ASP GLN GLY ARG GLY ARG ARG ARG PRO 4.4843
129 1JPA ANP 4.48718
130 3EWP APR 4.51977
131 4I54 1C1 4.53258
132 5MJA 7O3 4.59016
133 1G8K MGD 4.5977
134 3HZT J60 4.5977
135 1CT9 GLN 4.5977
136 2AF6 BRU 4.5977
137 4AF0 IMP 4.5977
138 2XVD AS6 4.63576
139 4CQE CQE 4.67626
140 4CL6 7SB 4.67836
141 4AT3 LTI 4.68227
142 6D5V GNP 4.79042
143 6D59 GNP 4.79042
144 6D56 GNP 4.79042
145 6BVJ GNP 4.79042
146 6BVL GNP 4.79042
147 6BVK GNP 4.79042
148 6D5E GNP 4.79042
149 6BVI GNP 4.79042
150 1LFD GNP 4.79042
151 2Y6O 1N1 4.811
152 4GUT FAD 4.83871
153 5APG EEM 4.86486
154 5JFS 6K0 4.87013
155 5NKB 8ZT 4.90196
156 4C2V YJA 4.91228
157 5LXM ADP 4.947
158 5WRJ A3P 4.9505
159 1HXD BTN 4.98442
160 4K81 GTP 5.03876
161 1UAD GNP 5.05051
162 5EYK 5U5 5.07246
163 4JWH SAH 5.11182
164 3LXK MI1 5.19878
165 2BES RES 5.23256
166 4TWL ASC 5.28455
167 2IID PHE 5.28736
168 2IID FAD 5.28736
169 4U60 SIA GAL NGA 5.35714
170 4JK3 NAD 5.40541
171 4ITH RCM 5.44218
172 3ABI NAD 5.47945
173 4H8N NDP 5.48387
174 3H9R TAK 5.50459
175 2IVF MGD 5.51724
176 2VK4 TPP 5.51724
177 2DXU BT5 5.53191
178 1WPY BTN 5.53191
179 3S6X SIA GAL BGC 5.53846
180 2C1Q BTN 5.55556
181 1TPY SAH 5.57491
182 5UWQ GNP 5.59441
183 5UWJ GNP 5.59441
184 5UWO GNP 5.59441
185 5UWW GNP 5.59441
186 5UWT GNP 5.59441
187 5DIF GNP 5.59441
188 5UWI GNP 5.59441
189 5UWU GNP 5.59441
190 5UWS GNP 5.59441
191 5DHF GNP 5.59441
192 4BCN T9N 5.72519
193 3NKS FAD 5.74713
194 3DNT ATP 5.74713
195 3TPV ADE 5.74713
196 4XQC NAD 5.97701
197 3EFS BTN 6.00858
198 2FXD DR7 6.06061
199 4NJS G08 6.06061
200 2O4N TPV 6.06061
201 3NWQ 2NC 6.06061
202 1KQF MGD 6.12245
203 5AOG IAC 6.18893
204 1H82 FAD 6.2069
205 3FSY SCA 6.2069
206 4UOX PLP PUT 6.20985
207 1WA5 GTP 6.25
208 3WYF GTP 6.30252
209 4YRY FAD 6.52174
210 4YRY NAD 6.52174
211 1KMQ GNP 6.52174
212 4K4D HFQ 6.56934
213 1FIQ SAL 6.57143
214 1HE1 AF3 6.66667
215 2I7C AAT 6.71378
216 5YEC ATP 6.72269
217 2VSU ACO 6.90909
218 3KO0 TFP 6.93069
219 1CXZ GSP 6.97674
220 1TX4 ALF GDP 7.07071
221 1ZC3 GNP 7.07965
222 4I6H 1C8 7.14286
223 4A4X JUP 7.16846
224 1WQ1 AF3 7.18563
225 5TA6 79D 7.26257
226 4EWH T77 7.27273
227 3R35 4CO 7.28477
228 5NQR 958 7.30594
229 3NZW BOC TY5 ALA RE0 ABN 7.31707
230 6H39 FGY 7.31707
231 4Q5M ROC 7.38916
232 1Z06 GNP 7.40741
233 5NJI 8Z2 7.45342
234 5H2U 1N1 7.49064
235 6BCB GSP 7.53425
236 3NRZ MTE 7.54098
237 2O07 SPD 7.56579
238 2O07 MTA 7.56579
239 1L5Y BEF 7.74194
240 3FC2 IBI 7.76119
241 2F5Z FAD 7.8125
242 3LXN MI1 7.86164
243 5E2N V14 7.98479
244 1JNR FAD 8
245 6FA4 GNP 8.09249
246 4IF4 BEF 8.17308
247 1SQL GUN 8.21918
248 4XOI GTP 8.51852
249 2C5L GTP 8.54701
250 2X2M X2M 8.73563
251 1WN3 HXC 8.82353
252 4R2M ANP 8.86076
253 1WG8 SAM 8.96552
254 5UPK GNP 9.18919
255 2OOR TXP 9.1954
256 1NBU PH2 9.2437
257 3PP0 03Q 9.46746
258 3QXV MTX 9.52381
259 2GAG NAD 10.101
260 2I8T GDD 10.1796
261 1Z08 GNP 10.5882
262 3OZV FAD 12.4069
263 2NGR AF3 12.5654
264 1ZZ7 S0H 13.1313
265 4RUS NDG 13.8655
266 4Z9D NAD 14.2857
267 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 14.4231
Pocket No.: 2; Query (leader) PDB : 5XLS; Ligand: URA; 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: 5xls.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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