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Receptor
PDB id Resolution Class Description Source Keywords
5ME4 1.52 Å NON-ENZYME: TRANSPORT THE STRUCTURE OF HTXB FROM PSEUDOMONAS STUTZERI IN COMPLEX W HYPOPHOSPHITE TO 1.52 A RESOLUTION PSEUDOMONAS STUTZERI ABC-TRANSPORTER PERIPLAMIC BINDING PROTEIN PHOSPHITE HYPOPHOSPHITE TRANSPORT PROTEIN
Ref.: THE MOLECULAR BASIS OF PHOSPHITE AND HYPOPHOSPHITE RECOGNITION BY ABC-TRANSPORTERS. NAT COMMUN V. 8 1746 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HP4 A:302;
A:301;
Invalid;
Valid;
none;
none;
submit data
64.988 H2 O2 P [O-][...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ME4 1.52 Å NON-ENZYME: TRANSPORT THE STRUCTURE OF HTXB FROM PSEUDOMONAS STUTZERI IN COMPLEX W HYPOPHOSPHITE TO 1.52 A RESOLUTION PSEUDOMONAS STUTZERI ABC-TRANSPORTER PERIPLAMIC BINDING PROTEIN PHOSPHITE HYPOPHOSPHITE TRANSPORT PROTEIN
Ref.: THE MOLECULAR BASIS OF PHOSPHITE AND HYPOPHOSPHITE RECOGNITION BY ABC-TRANSPORTERS. NAT COMMUN V. 8 1746 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5ME4 - HP4 H2 O2 P [O-][PH2]=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 5ME4 - HP4 H2 O2 P [O-][PH2]=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 5ME4 - HP4 H2 O2 P [O-][PH2]=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HP4; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HP4 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ME4; Ligand: HP4; Similar sites found with APoc: 382
This union binding pocket(no: 1) in the query (biounit: 5me4.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5O0Z 9GB None
2 1JQ9 PHE LEU SER TYR LYS None
3 2Y6P CTP None
4 4I4Z 2NE 1.09489
5 3AFN NAP 1.16279
6 4NBW NAD 1.16732
7 3SJ7 NDP 1.19048
8 3WXB NDP 1.45985
9 1S7G NAD 1.58103
10 4AZW SAM 1.82482
11 1SQF SAM 1.82482
12 5KOK S9T 1.82482
13 3H4V NAP 1.82482
14 5KOK SAH 1.82482
15 3H4V DVP 1.82482
16 5KOK R9T 1.82482
17 2PO3 T4K 1.82482
18 1AE1 NAP 1.8315
19 3AY6 NAI 1.85874
20 3AY6 BGC 1.85874
21 1GEE NAD 1.91571
22 3TLJ SAH 2.18978
23 6ECT SAM 2.18978
24 4KRG SAH 2.18978
25 4TQG NDP 2.18978
26 4OHU 2TK 2.18978
27 4GID 0GH 2.18978
28 4OHU NAD 2.18978
29 1WUU ANP 2.18978
30 1Z6Z NAP 2.18978
31 4ZDC CO8 2.18978
32 4J7U YTZ 2.18978
33 4J7U NAP 2.18978
34 2OBF F83 2.18978
35 2OBF SAH 2.18978
36 2O07 SPD 2.18978
37 3H9E NAD 2.18978
38 2O07 MTA 2.18978
39 1BDB NAD 2.18978
40 3P2E SAH 2.22222
41 2GZM DGL 2.24719
42 3HVJ 705 2.26244
43 2PXX SAH 2.32558
44 5T2U NAP 2.41935
45 5WP4 PC 2.55474
46 5WP4 SAH 2.55474
47 1UWK URO 2.55474
48 1UWK NAD 2.55474
49 5FWA J7C 2.55474
50 2QZS ADP 2.55474
51 2QZS 250 2.55474
52 2QZS GLC 2.55474
53 6F97 FAD 2.55474
54 6D6Y SAH 2.55474
55 3L9W AMP 2.55474
56 1TUU AMP 2.55474
57 1TUU PIS 2.55474
58 2JL1 NAP 2.55474
59 1TUU ADP 2.55474
60 3B8X G4M 2.55474
61 5THQ NDP 2.57353
62 4KQP GLN 2.58621
63 3TM0 ANP 2.6616
64 3TM0 B31 2.6616
65 5JBX COA 2.68199
66 5OVK NDP 2.73438
67 4FN4 NAD 2.75591
68 2AG5 NAD 2.84553
69 1QS8 IVA VAL VAL STA ALA STA 2.91971
70 6ECU SAH 2.91971
71 6ECW SAH 2.91971
72 5IBE 69M 2.91971
73 1MXH NAP 2.91971
74 1MXH DHF 2.91971
75 4J1Q NDP 2.91971
76 3WQQ IB3 2.91971
77 3WQQ NDP 2.91971
78 4RGQ NDP 2.91971
79 2QZX IVA VAL VAL STA ALA STA 2.91971
80 1WKR IVA VAL VAL STA ALA STA 2.91971
81 3CIF G3H 2.91971
82 3CIF NAD 2.91971
83 3LU1 NAD 2.91971
84 4FWE FAD 2.91971
85 1DL5 SAH 2.91971
86 5WP5 SAH 2.91971
87 3VC1 SAH 2.91971
88 1ON3 MCA 2.91971
89 1IY8 NAD 2.99625
90 3NY4 SMX 3.01887
91 2WYV NAD 3.06513
92 1E3W NAD 3.06513
93 2AE2 NAP 3.07692
94 2AE2 PTO 3.07692
95 3MB5 SAM 3.13725
96 4NBU NAI 3.2
97 3H8V ATP 3.28467
98 3G2O SAM 3.28467
99 5MLR NAP 3.28467
100 5MLR GRQ 3.28467
101 4RDH AMP 3.28467
102 3QV1 NAD 3.28467
103 1X87 NAD 3.28467
104 4RDI ATP 3.28467
105 3C6K MTA 3.28467
106 4D79 ATP 3.28467
107 4WOE 3S5 3.28467
108 4WOE ADP 3.28467
109 4Z0H NAD 3.28467
110 5L53 NAP 3.28467
111 3C6K SPD 3.28467
112 1ORR NAD 3.28467
113 4ZAH T5K 3.28467
114 1FK8 NAD 3.50195
115 1GEG NAD 3.51562
116 3M6P BB2 3.62694
117 1QRP HH0 3.64964
118 5MW4 5JU 3.64964
119 4Y30 49L 3.64964
120 3QOX SAH 3.64964
121 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 3.64964
122 4QIJ 1HA 3.64964
123 6GKV SAH 3.64964
124 2HIM ASP 3.64964
125 2IF8 ADP 3.64964
126 1G0N NDP 3.64964
127 2EXX NAP 3.64964
128 3CV9 VDX 3.64964
129 2WTX UDP 3.64964
130 2WTX VDO 3.64964
131 1ZK7 FAD 3.64964
132 2HIM ASN 3.64964
133 5CG1 NAD BBN 3.64964
134 5H62 UDP 3.64964
135 1FFU CDP 3.68098
136 5CUQ NSC 3.74532
137 1QG6 TCL 3.83142
138 5WQP NAP 3.84615
139 5WQP NCA 3.84615
140 5M58 SAH 3.91304
141 2Q46 NAP 3.95257
142 4M73 M72 4.0146
143 4M73 SAH 4.0146
144 4N49 SAM 4.0146
145 1V35 NAI 4.0146
146 6DIO NAD 4.0146
147 5XVG 8FX 4.0146
148 1MDZ DCS 4.0146
149 1MDZ PLP 4.0146
150 4ZOH MCN 4.0146
151 3Q9T FAY 4.0146
152 6G1P CIT 4.0146
153 3V1Y NAD 4.0146
154 4IWN GEK 4.0146
155 4O0L NDP 4.0146
156 5YVT NAI 4.0146
157 5T67 SAH 4.0146
158 5T67 JHZ 4.0146
159 5MDH NAD 4.0146
160 1JLX GAL A2G MBN 4.0146
161 3G89 SAM 4.01606
162 4YLG GDP 4.04624
163 3JZB 4HY 4.11985
164 2DT9 THR 4.19162
165 1ZEM NAD 4.19847
166 3FV1 DYH 4.29688
167 5FTW SAH 4.29688
168 5LAU AR6 4.32692
169 3RJ5 NAD 4.33071
170 5E72 SAM 4.37956
171 1CZI PRO PHI SMC NOR 4.37956
172 4I42 1HA 4.37956
173 1L1E SAH 4.37956
174 2R42 FPS 4.37956
175 1SB8 NAD 4.37956
176 4G5H NAP 4.37956
177 4G5H UD7 4.37956
178 1W8D NAP 4.37956
179 1W6U NAP 4.37956
180 3FSM 2NC 4.4335
181 3QWI NAP 4.44444
182 3QWI CUE 4.44444
183 3GEG NAD 4.45344
184 5EFQ ADP 4.47761
185 4NEC SAH 4.54545
186 4CQM NAP 4.5977
187 3BY9 SIN 4.61538
188 2XTN GTP 4.70085
189 2D2I NAP 4.73684
190 3FRH SAH 4.74308
191 6FP4 E1T 4.74453
192 6FP4 FAD 4.74453
193 3KO8 NAD 4.74453
194 6EJI UD2 4.74453
195 3EMY IVA VAL VAL STA ALA STA 4.74453
196 2Q1W NAD 4.74453
197 3GDH SAH 4.97925
198 4QLX KTC 5.02283
199 4QLX FMN 5.02283
200 3OID NDP 5.03876
201 3VZS NAP 5.05837
202 5YIC 8VO 5.10949
203 2BJU IH4 5.10949
204 2CFD R4A 5.10949
205 3T7S SAM 5.10949
206 6ARJ BW4 5.10949
207 6ARJ SAH 5.10949
208 5DX0 SFG 5.10949
209 5DX8 SFG 5.10949
210 5DXA SFG 5.10949
211 5DX1 SFG 5.10949
212 3FV3 IVA VAL VAL STA ALA STA 5.10949
213 3SMA ACO 5.10949
214 5DWQ SFG 5.10949
215 1XHL NDP 5.10949
216 1JQD SAH 5.10949
217 6BWL NAD 5.10949
218 3UBM COA 5.10949
219 1JQD HSM 5.10949
220 2AOT SAH 5.10949
221 1KQF MGD 5.10949
222 3NUG NAD 5.26316
223 3GU3 SAH 5.28169
224 5O98 NAP 5.36278
225 3U4C NDP 5.47445
226 5G5G MCN 5.47445
227 4JBI NDP 5.47445
228 2X7I CIT 5.47445
229 1P4A PCP 5.47445
230 5ZIC BMA Z4Y NAG 5.47445
231 6FL8 ADP 5.47445
232 6FL8 TIY 5.47445
233 1AJ8 CIT 5.47445
234 5HSA FAS 5.47445
235 5BW4 SAM 5.61798
236 3OIG NAD 5.6391
237 1A5V Y3 5.6962
238 1R18 SAH 5.72687
239 2BD0 NAP 5.7377
240 1YY5 FAD 5.83942
241 1JG3 ADN 5.83942
242 3DR4 G4M 5.83942
243 5WXK TYD 5.83942
244 4MO2 FAD 5.83942
245 4O67 1SY 5.83942
246 2OGA PGU 5.83942
247 2WSB NAD 5.90551
248 5JAX 6J7 5.92593
249 1VL8 NAP 5.99251
250 5WA9 9ZD 6.20155
251 3D91 REM 6.20438
252 1I2B NAD 6.20438
253 1I2B USQ 6.20438
254 1I2B UPG 6.20438
255 3DRG ARG PRO PRO GLY PHE SER PRO PHE ALA 6.20438
256 1XV5 UDP 6.20438
257 3BXO SAM 6.27615
258 1AV5 AP2 6.34921
259 4O4F ATP 6.45161
260 4O4F IHP 6.45161
261 5W7C DAO FTT 6.47482
262 5EPO NAP 6.48855
263 3UWB BB2 6.49351
264 6CI9 NAP 6.56371
265 3X01 AMP 6.56934
266 1XG5 NAP 6.56934
267 4KIB SAH 6.56934
268 5H81 NAP 6.56934
269 3HRD MCN 6.56934
270 3I54 CMP 6.82731
271 3I59 N6R 6.82731
272 3PFG TLO 6.84411
273 3PFG SAM 6.84411
274 4QED NAP 6.85484
275 1DUB CAA 6.89655
276 2VDV SAM 6.91057
277 3SJU NDP 6.93431
278 1ELU PDA 6.93431
279 3GRU AMP 6.93431
280 3FPZ AHZ 6.93431
281 2B4R AES 6.93431
282 1ELU CSS 6.93431
283 3WOL VAL TYR 6.93431
284 5DF1 NAP 6.93431
285 5DF1 58X 6.93431
286 1ZUI SKM 7.14286
287 4RT1 C2E 7.14286
288 5GT9 NAP 7.22433
289 1O5O U5P 7.23982
290 1QM5 PLP 7.29927
291 1IIM TTP 7.29927
292 2GN4 UD1 7.29927
293 5AM1 I5T 7.29927
294 1N46 PFA 7.36434
295 1Q7B NAP 7.37705
296 5Y6Q MCN 7.40741
297 4URF NAD 7.66129
298 1H5R G1P 7.66423
299 1H5T DAU 7.66423
300 1GSA GSH 7.66423
301 1JG9 GLC 7.66423
302 1I8T FAD 7.66423
303 1XKQ NDP 7.66423
304 1E5Q NDP 7.66423
305 4KU7 PCG 7.84314
306 5M3E APR 7.87879
307 6EL3 NAP 8.0292
308 1N62 MCN 8.0292
309 2FR1 NDP 8.0292
310 1N62 FAD 8.0292
311 6C4A PYR 8.0292
312 4R8L ASP 8.0292
313 5DNC ASN 8.0292
314 3IP8 B85 8.06452
315 1RM8 BAT 8.28402
316 5THY SAH 8.39416
317 5THZ SAH 8.39416
318 5E8J SAH 8.39416
319 5E9W SAH 8.39416
320 1H5Q NAP 8.67924
321 1LYB IVA VAL VAL STA ALA STA 8.71369
322 3JQA NAP 8.75912
323 3JQ7 NAP 8.75912
324 3JQ8 NAP 8.75912
325 3JQG NAP 8.75912
326 4CLO NAP 8.75912
327 3KCC CMP 8.84615
328 1NM5 NAD 8.86699
329 1NM5 NAP 8.86699
330 1S17 GNR 8.88889
331 2JFN GLU 9.47368
332 1T3Q MCN 9.48905
333 1B9I PXG 9.48905
334 4WOP CTP 9.77778
335 5Z2L NDP 9.79592
336 5FEU NAP 9.85401
337 5FFF NAP 9.85401
338 5FFF 5XC 9.85401
339 5L95 AMP 10
340 2TCL RO4 10.0592
341 1O44 852 10.1852
342 1XTT U5P 10.1852
343 2DKN NAI 10.1961
344 2DTX BMA 10.2273
345 4QTU SAM 10.3704
346 3SM2 478 10.6061
347 4N9I PCG 10.9524
348 3A4V NAD 11.3139
349 3A4V PYR 11.3139
350 4L2I FAD 11.3139
351 2NVA PL2 11.3139
352 1O97 FAD 11.3636
353 1O97 AMP 11.3636
354 5MGZ SAH 11.8644
355 3Q87 SAM 12
356 3WMX NAD 12.0438
357 3E3U NVC 12.1827
358 1T36 ORN 12.4088
359 5MTE BB2 12.4088
360 1YXM ADE 12.7737
361 5LRT ADP 13.5036
362 2FK8 SAM 13.8686
363 1Z3C SA8 14.2336
364 4GUS FAD 14.5161
365 4GUT FAD 14.5161
366 2WPB ZZI 14.5985
367 3FPF TNA 14.9635
368 3FPF MTA 14.9635
369 1KOL NAD 14.9635
370 1RF6 S3P 14.9635
371 1RF6 GPJ 14.9635
372 1NNU TCT 15
373 1NNU NAD 15
374 3WSJ MK1 15.5172
375 1G27 BB1 15.6934
376 3H2B SAH 15.7635
377 3N1S 5GP 16.8067
378 2V6G NAP 18.9781
379 4UCI SAM 19.3431
380 2TPI ILE VAL 34.4828
381 5LV1 78T 37.5912
382 5LQ8 GB 40.5109
Pocket No.: 2; Query (leader) PDB : 5ME4; Ligand: HP4; 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: 5me4.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
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