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Receptor
PDB id Resolution Class Description Source Keywords
2HZL 1.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURES OF A SODIUM-ALPHA-KETO ACID BINDING SUBUN TRAP TRANSPORTER IN ITS CLOSED FORMS RHODOBACTER SPHAEROIDES 2.4.1 TRAP TRANSPORTER PERIPLASMIC SUBUNIT LIGAND BINDING TRANSPROTEIN
Ref.: CRYSTAL STRUCTURES OF AN EXTRACYTOPLASMIC SOLUTE RE FROM A TRAP TRANSPORTER IN ITS OPEN AND CLOSED FORM A HELIX-SWAPPED DIMER REQUIRING A CATION FOR ALPHA-BINDING. BMC STRUCT.BIOL. V. 7 11 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:500;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
PYR A:601;
B:602;
B:603;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 270 nM
88.062 C3 H4 O3 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HZL 1.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURES OF A SODIUM-ALPHA-KETO ACID BINDING SUBUN TRAP TRANSPORTER IN ITS CLOSED FORMS RHODOBACTER SPHAEROIDES 2.4.1 TRAP TRANSPORTER PERIPLASMIC SUBUNIT LIGAND BINDING TRANSPROTEIN
Ref.: CRYSTAL STRUCTURES OF AN EXTRACYTOPLASMIC SOLUTE RE FROM A TRAP TRANSPORTER IN ITS OPEN AND CLOSED FORM A HELIX-SWAPPED DIMER REQUIRING A CATION FOR ALPHA-BINDING. BMC STRUCT.BIOL. V. 7 11 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2HZL Kd = 270 nM PYR C3 H4 O3 CC(=O)C(=O....
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 2HZL Kd = 270 nM PYR C3 H4 O3 CC(=O)C(=O....
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 2HZL Kd = 270 nM PYR C3 H4 O3 CC(=O)C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PYR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 PYR 1 1
2 ACY 0.636364 0.636364
3 OXD 0.545455 0.642857
4 F50 0.428571 0.6
5 2KT 0.411765 0.733333
6 AAE 0.411765 0.625
7 KIV 0.411765 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HZL; Ligand: PYR; Similar sites found with APoc: 46
This union binding pocket(no: 1) in the query (biounit: 2hzl.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5UR1 YY9 1.60772
2 3MB5 SAM 1.96078
3 2PWG CTS 1.97842
4 4RGQ NDP 2.19178
5 2I6A 5I5 2.31884
6 3MA0 XYP 2.55591
7 4R6W SAH 3.10078
8 4R6W PC 3.10078
9 5EOB 5QQ 3.1348
10 9ABP GAL 3.26797
11 9ABP GLA 3.26797
12 1RPN NDP 3.28358
13 1FFU CDP 3.48432
14 5UE4 5XQ 3.81356
15 1DL5 SAH 4.10095
16 4XF6 INS 4.3956
17 4XF6 ADP 4.3956
18 4XF6 LIP 4.3956
19 1ZGA SAH 4.48179
20 4EWH T77 4.72727
21 3RMK BML 4.81928
22 1UZH CAP 4.91803
23 5T67 JHZ 4.93151
24 3HPF GAE 4.93151
25 4QC6 30N 5.02793
26 4OAS 2SW 5.20833
27 1OS7 AKG 5.65371
28 1OS7 TAU 5.65371
29 4XTX 590 5.92593
30 3S43 478 6.06061
31 2C29 DQH 6.23145
32 4MFZ MFK 6.48968
33 4HPH SUC 6.57534
34 2PQ9 GG9 6.57534
35 1IR2 CAP 7.14286
36 2DXU BT5 8.51064
37 3SAO NKN 8.75
38 4GKV NAD 11.0119
39 1HDC CBO 11.811
40 5M45 AMP 11.9048
41 5FQ0 FLC 12.2807
42 1CHM CMS 12.3288
43 1HE1 GDP 14.0741
44 2WDQ CBE 14.7287
45 6D6L FY4 16.4706
46 4WP9 ZDA 19.209
Pocket No.: 2; Query (leader) PDB : 2HZL; Ligand: PYR; Similar sites found with APoc: 8
This union binding pocket(no: 2) in the query (biounit: 2hzl.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 6AM8 PLT 1.64384
2 1HXD BTN 2.80374
3 1KUV CA5 3.86473
4 3P3G 3P3 4.33333
5 3P3G UKW 4.33333
6 3HRD MCN 5.40541
7 1I9G SAM 6.07143
8 5ERG SAM 7.31071
Pocket No.: 3; Query (leader) PDB : 2HZL; Ligand: PYR; Similar sites found with APoc: 431
This union binding pocket(no: 3) in the query (biounit: 2hzl.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5ET3 60C None
2 1NU4 MLA None
3 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR None
4 4AZP A9M None
5 1ECM TSA None
6 6BKL EU7 None
7 3TGE TGE 1.22699
8 3SSO SAH 1.36986
9 4V1T ADP 1.36986
10 3KMR EQN 1.50376
11 3KMZ EQO 1.50376
12 5DXG EST 1.53257
13 5DXE EST 1.53257
14 4MG8 27J 1.56863
15 5G3N X28 1.5748
16 4TV1 36M 1.59363
17 5K13 6Q7 1.62602
18 2RH1 CAU 1.64384
19 2G3F IZC 1.64384
20 3IPQ 965 1.76678
21 4RVU NDP 1.80723
22 5UC4 83S 1.81818
23 3W54 RNB 1.82371
24 3SE5 ANP 1.82927
25 1U1I NAD 1.91781
26 4V24 GYR 1.91781
27 2WYA HMG 1.91781
28 3RS8 APR 1.91781
29 3ANP DAO 1.96078
30 3ANP DCC 1.96078
31 3RY9 1CA 2
32 5AG3 3EB 2.05882
33 2G36 TRP 2.05882
34 6B2M COA 2.0979
35 1YSL COA 2.19178
36 4Z87 GDP 2.19178
37 2P1C GG3 2.19178
38 1N6B DMZ 2.19178
39 5WIU AQD 2.19178
40 3WQT ANP 2.19178
41 4BFW ZVW 2.20126
42 6F6E PLM 2.21519
43 3WQM B29 2.32558
44 4O4K 2PK 2.38095
45 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.38095
46 5Y72 DST 2.38806
47 2O4J VD4 2.39726
48 3ET1 ET1 2.4055
49 5I8F ML1 2.42424
50 2B96 ANN 2.43902
51 3SP6 IL2 2.45614
52 2QE4 JJ3 2.46575
53 1U8V FAD 2.46575
54 3NRR NAP 2.46575
55 1XPK CAA 2.46575
56 4KVL PLM 2.46575
57 3SFI 3SF 2.46575
58 4PFC 2QX 2.46575
59 1XPK HMG 2.46575
60 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 2.51046
61 2J9C ATP 2.52101
62 1PZL MYR 2.53165
63 1T27 PCW 2.58303
64 2NPA MMB 2.59259
65 3FS1 MYR 2.6087
66 3FEI CTM 2.62172
67 2P54 735 2.62172
68 3ROE THM 2.64151
69 4R29 SAM 2.67857
70 1XRO LEU 2.73038
71 3G58 988 2.73973
72 5OHJ 9VE 2.73973
73 4I4B 1CV 2.73973
74 1XM4 PIL 2.73973
75 4QOM PYG 2.73973
76 1XMU ROF 2.73973
77 2CFU 1DB 2.73973
78 3G4G D71 2.73973
79 5OSW AE4 2.73973
80 1XMY ROL 2.73973
81 3RYC GTP 2.73973
82 3QKD HI0 2.76243
83 3GWT 066 2.83286
84 6F68 4EU 2.84553
85 6F68 GSH 2.84553
86 1ESM COA 2.8481
87 1XON PIL 2.86533
88 3RG9 WRA 2.91667
89 3RG9 NDP 2.91667
90 5F2T PLM 2.92208
91 2Z7I 742 2.94118
92 4EOX 0S5 2.95567
93 4W97 UCA 3
94 3W68 VIV 3.00752
95 4NE2 SH2 3.0137
96 5UXM TRP 3.0137
97 5BU2 ADP 3.0137
98 4DP3 NDP 3.0137
99 5D3U TRP 3.0137
100 4DP3 MMV 3.0137
101 5C2H 4XU 3.03867
102 2QCX PF1 3.04183
103 3E7O 35F 3.05556
104 5V4R MGT 3.08642
105 3L1N PLM 3.09278
106 1W5F G2P 3.11615
107 4NAT 2W5 3.125
108 4NAT ADP 3.125
109 3KXC PLM 3.16456
110 1YMT DR9 3.25203
111 2E2R 2OH 3.27869
112 3PE2 E1B 3.28767
113 4B1V LAB 3.28767
114 1UUO BRF 3.28767
115 1UUO ORO 3.28767
116 1UUO FMN 3.28767
117 3HP9 CF1 3.28767
118 2AMV BIN 3.28767
119 2YPO PHE 3.28767
120 5DY5 5GR 3.28947
121 6BR9 PGV 3.34262
122 4BNU 9KQ 3.34572
123 3HR1 PF9 3.42105
124 3AI3 SOE 3.42205
125 5JF2 SF7 3.43137
126 3I6I NDP 3.46821
127 1N4H REA 3.4749
128 2ISJ FMN 3.47826
129 4NB5 2JT 3.50877
130 2R75 01G 3.5503
131 5DF1 NAP 3.56164
132 5DF1 58X 3.56164
133 3W5N RAM 3.56164
134 2RHO GDP 3.56164
135 1O6U PLM 3.56164
136 4GBD MCF 3.56164
137 5IKH 6BW 3.56164
138 2RHO GSP 3.56164
139 1OKC CXT 3.56164
140 5MLR GRQ 3.56164
141 4OKZ 3E9 3.56164
142 5ZKC 3C0 3.56164
143 5HWO HMG 3.56164
144 3MBG FAD 3.59712
145 4W4S B29 3.66667
146 3JYN NDP 3.69231
147 1DEK DGP 3.73444
148 2BL9 CP6 3.78151
149 2BL9 NDP 3.78151
150 1LVK MNT BEF 3.83562
151 1N1G BCP 3.83562
152 5FPN KYD 3.83562
153 2OBD PCW 3.83562
154 4JKV 1KS 3.83562
155 3WCA FPS 3.83562
156 2W90 6PG 3.83562
157 1AUA BOG 3.83562
158 3HKW IX6 3.83562
159 5B25 4QJ 3.84615
160 3HLX PQQ 3.87597
161 4S15 4D8 3.90625
162 4KM2 ATR 3.91061
163 4KM2 TOP 3.91061
164 4RKK GLC GLC GLC GLC GLC GLC 3.91566
165 6EYT NDG 3.97554
166 2C9E PID 3.97554
167 5C1M 4VO 4
168 4TWP AXI 4.05904
169 4Q9M 2ZW 4.06504
170 4Q9M FPP 4.06504
171 5G5G FAD 4.08805
172 3ET3 ET1 4.10959
173 6FX0 E9T 4.10959
174 3PVT 3HC 4.10959
175 5XET ME8 4.10959
176 1RQ2 CIT 4.10959
177 2AEL SAZ 4.10959
178 5K52 OCD 4.15094
179 4HBM 0Y7 4.16667
180 2GJ3 FAD 4.16667
181 2EV9 SKM 4.18251
182 2EV9 NAP 4.18251
183 6D55 FWA 4.19162
184 6D59 FVJ 4.19162
185 2HFP NSI 4.25532
186 2F5T MAL 4.29185
187 1XTP SAI 4.33071
188 3KFC 61X 4.34783
189 3BJC WAN 4.38356
190 3KFL ME8 4.38356
191 3KJD 78P 4.38356
192 3G5N PB2 4.38356
193 4EIL FOL 4.38356
194 3V1V GST 4.38799
195 3X1M COA 4.40252
196 3D04 SAK 4.40252
197 5TWO 7MV 4.41176
198 2EW5 Y12 4.41989
199 4DK7 0KS 4.45344
200 1ZGA HMK 4.48179
201 5NM7 GLY 4.51128
202 5N7O 69Y 4.52489
203 1G2N EPH 4.54545
204 4DOL PLM 4.60829
205 3SHZ 5CO 4.61095
206 5X8Q 82R 4.65116
207 3GFZ FMN 4.65753
208 3FWN 6PG 4.65753
209 3FWN ATR 4.65753
210 4RNV FMN 4.65753
211 1YKD CMP 4.65753
212 5AZC PGT 4.66667
213 3ND6 ATP 4.67836
214 1EBL COA 4.73186
215 1M13 HYF 4.74684
216 3F8C HT1 4.7619
217 5B0W 22B 4.811
218 2FP2 TSA 4.81928
219 6G5J EM8 4.84848
220 1KPH 10A 4.87805
221 1P1M MET 4.93151
222 1N20 3AG 4.93151
223 2VAP GDP 4.93151
224 2HU5 GLY PHE 4.93151
225 1JQ9 PHE LEU SER TYR LYS 4.95868
226 5K53 STE 4.96183
227 2WCJ M21 4.96454
228 3LLI FAD 4.98084
229 3LE7 ADE 4.98084
230 5G57 6M5 5
231 4EJ1 FOL 5.03145
232 2CIG 1DG 5.03145
233 1YOK P6L 5.07812
234 1YUC EPH 5.09804
235 1Q7E MET 5.14019
236 6BR8 PGV 5.15873
237 1ZOY UQ1 5.20548
238 3WBG 2AN 5.22876
239 1ZDU P3A 5.30612
240 1OFU GDP 5.3125
241 2IFB PLM 5.34351
242 1D1G MTX 5.35714
243 1RDT L79 5.3719
244 3FAL LO2 5.3719
245 3FAL REA 5.3719
246 1RDT 570 5.3719
247 4OMJ 2TX 5.39568
248 5KAU RHQ 5.45455
249 1FM9 9CR 5.46218
250 2YYJ 4HP 5.47945
251 2YYJ FAD 5.47945
252 5EK3 5PK 5.47945
253 3OTX AP5 5.47945
254 1WDK N8E 5.47945
255 3SQG TP7 5.47945
256 4QGE 35O 5.47945
257 5F5N 5VD 5.53633
258 1DKF OLA 5.5794
259 2HW2 RFP 5.59441
260 4POJ 2VP 5.62771
261 4M8E 29V 5.62771
262 4C01 QY9 5.67376
263 5WZU 7W3 5.69106
264 4M7V RAR 5.71429
265 5N5U 7N8 5.73248
266 4AZW ATP 5.75342
267 3QDC RET 5.75342
268 4D9M 0JO 5.75342
269 6B5Q PPI CZS 2KY MLY 1XY 5.77778
270 2QM9 TDZ 5.80645
271 2BYC FMN 5.83942
272 6CAY ERG 5.91716
273 5HZ9 5M8 5.92593
274 1UBY DMA 5.99455
275 3HOK Q80 6.00858
276 3OFK SAH 6.01852
277 1OLM VTQ 6.0274
278 5IM3 DTP 6.0274
279 3KJS DQ1 6.0274
280 1W2Y DUN 6.11354
281 5DX3 EST 6.13027
282 5WGD EST 6.13027
283 5WGQ EST 6.13027
284 3VVY ET 6.18557
285 2UXI G50 6.19048
286 5HYR EST 6.20155
287 2QZO KN1 6.20155
288 4MG9 27K 6.27451
289 4MGB XDH 6.27451
290 4TUZ 36J 6.27451
291 2ZCQ B65 6.30137
292 1GNI OLA 6.30137
293 5L7G 6QE 6.30137
294 3IQE H4M 6.36042
295 3IQE F42 6.36042
296 3UUD EST 6.3745
297 1FCZ 156 6.38298
298 4RHP PEF 6.38298
299 5Y02 MXN 6.54206
300 5Y02 HBX 6.54206
301 5OWC AYZ 6.55738
302 5OLK DTP 6.57534
303 1ID0 ANP 6.57895
304 1BWO LPC 6.66667
305 1YYE 196 6.71642
306 1XAP TTB 6.74157
307 4DM8 REA 6.74157
308 2BJ4 OHT 6.74603
309 4BVM VCA 6.76692
310 4BVM PLM 6.76692
311 1J3I WRA 6.78571
312 1J3I NDP 6.78571
313 3EE4 MYR 6.81115
314 1EWF PC1 6.84932
315 3EBL GA4 6.84932
316 5LJ0 6XX 6.92308
317 2WOR 2AN 7
318 2I0G I0G 7.00389
319 4LH7 NMN 7.12074
320 1TV5 A26 7.12329
321 4XU6 TDA 7.14286
322 2QO4 CHD 7.14286
323 2FTB OLA 7.2
324 3FPF TNA 7.38255
325 3FPF MTA 7.38255
326 1U3R 338 7.46888
327 3OLL EST 7.5
328 4J24 EST 7.5
329 4J26 EST 7.5
330 2YJD YJD 7.5
331 4WQ2 3SU 7.51445
332 2ZFZ ARG 7.59494
333 5A8E XTK 7.61905
334 2IYA ZIO 7.67123
335 3LDW ZOL 7.67123
336 3LDW IPE 7.67123
337 2GBB CIT 7.69231
338 4P6X HCY 7.84314
339 4INW 1EY 7.85714
340 3RV5 DXC 7.86517
341 5L92 C0R 7.94521
342 1T0S BML 7.94521
343 5H62 UDP 7.94521
344 3B99 U51 7.94521
345 5L92 MLA 7.94521
346 5UC9 MYR 7.9646
347 5FH7 5XL 8.06452
348 1SO2 666 8.09524
349 4ASJ N6A 8.19113
350 5YB7 ORN 8.21918
351 5YB7 FAD 8.21918
352 1ZDT PEF 8.29876
353 1XQD DND 8.49315
354 3ZKI WZV 8.49315
355 4DXJ IPE 8.56354
356 4DXJ 0M9 8.56354
357 4E70 N7I 8.76712
358 5J6D 6H5 8.79479
359 1Q1Y BB2 8.90052
360 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 9
361 3SCM LGN 9.09091
362 3RUG DB6 9.09091
363 1LEK GLU GLN TYR LYS PHE TYR SER VAL 9.12409
364 4CL6 7SB 9.35672
365 4RLT FSE 9.52381
366 2ZFU SAH 9.76744
367 3WHB DCC 9.79381
368 1JAY F42 9.90566
369 4RC8 STE 9.90991
370 3COW 52H 9.96678
371 2OI9 GLN LEU SER PRO PHE PRO PHE ASP LEU 10.0559
372 5IXK 6EW 10.0877
373 4ZBR NPS 10.137
374 4ZBR DIF 10.137
375 3ZS7 ATP 10.137
376 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 10.2041
377 4URX FK1 10.2703
378 5EEH SAH 10.411
379 5HZ5 65X 10.4478
380 4YJI TYL 10.6849
381 2QZT PLM 10.8108
382 2F59 INI 10.828
383 4XT8 NAP 10.8527
384 4XT8 TMQ 10.8527
385 5ZBL AMP 10.9589
386 5TDU PCR 11.6505
387 5GPG RAP 11.828
388 5CSD ACD 11.9497
389 2ALG HP6 11.9565
390 2ALG DAO 11.9565
391 2HJ3 FAD 12
392 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 12.0879
393 5V03 658 12.7451
394 5MWE TCE 12.8571
395 4LNU GTP 13.0178
396 3TKY N7I 13.4247
397 4YSX E23 13.4615
398 4C2V YJA 13.6364
399 4U0S ADP 13.9535
400 5OM2 DXT 15
401 2FKW RG1 15.0943
402 4GFD 0YB 15.6098
403 5ICK FEZ 16.1572
404 2Y69 CHD 16.4474
405 6A5Y 9CR 16.6667
406 5LWY OLB 18.4874
407 4OGQ 3WM 18.9189
408 4OGQ UMQ 18.9189
409 4OGQ 7PH 18.9189
410 3CXH SMA 21.5385
411 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 22
412 3QDJ ALA ALA GLY ILE GLY ILE LEU THR VAL 22
413 3HUJ AGH 22.2222
414 5C9J STE 22.2222
415 2FYU FDN 22.5806
416 2DYS TGL 22.9358
417 5Z84 PEK 22.9358
418 5ZCO PEK 22.9358
419 2DYR TGL 22.9358
420 2DYR PGV 22.9358
421 5ZCO PGV 22.9358
422 5Z84 PGV 22.9358
423 2DYS PGV 22.9358
424 5ZCO CHD 22.9358
425 2DYS PSC 22.9358
426 5Z84 TGL 22.9358
427 5ZCO TGL 22.9358
428 5Z84 CHD 22.9358
429 5ZCO PSC 22.9358
430 5Z84 PSC 22.9358
431 2DYR PSC 22.9358
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