Receptor
PDB id Resolution Class Description Source Keywords
1EHI 2.38 Å EC: 6.3.2.4 D-ALANINE:D-LACTATE LIGASE (LMDDL2) OF VANCOMYCIN-RESISTANT LEUCONOSTOC MESENTEROIDES LEUCONOSTOC MESENTEROIDES ATP-BINDING. GRASP MOTIF FOR ATP. LIGASE
Ref.: ENZYMES OF VANCOMYCIN RESISTANCE: THE STRUCTURE OF D-ALANINE-D-LACTATE LIGASE OF NATURALLY RESISTANT LEUCONOSTOC MESENTEROIDES. STRUCTURE FOLD.DES. V. 8 463 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:781;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:783;
A:784;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
PHY A:782;
Valid;
none;
submit data
275.133 C6 H15 N O7 P2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EHI 2.38 Å EC: 6.3.2.4 D-ALANINE:D-LACTATE LIGASE (LMDDL2) OF VANCOMYCIN-RESISTANT LEUCONOSTOC MESENTEROIDES LEUCONOSTOC MESENTEROIDES ATP-BINDING. GRASP MOTIF FOR ATP. LIGASE
Ref.: ENZYMES OF VANCOMYCIN RESISTANCE: THE STRUCTURE OF D-ALANINE-D-LACTATE LIGASE OF NATURALLY RESISTANT LEUCONOSTOC MESENTEROIDES. STRUCTURE FOLD.DES. V. 8 463 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1EHI - PHY C6 H15 N O7 P2 C[C@@H](C[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1EHI - PHY C6 H15 N O7 P2 C[C@@H](C[....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2I80 Ki = 4 uM G1L C12 H13 Cl F3 N O CC(C)(CCl)....
2 2I8C - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3N8D - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 5BPF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 5C1O - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 5BPH - AMP C10 H14 N5 O7 P c1nc(c2c(n....
7 5C1P - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 1EHI - PHY C6 H15 N O7 P2 C[C@@H](C[....
9 1IOW - PHY C6 H15 N O7 P2 C[C@@H](C[....
10 1IOV - POB C6 H15 N O8 P2 CC[C@H](C(....
11 2DLN - PHY C6 H15 N O7 P2 C[C@@H](C[....
12 4L1K - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
13 4ME6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Ligand no: 2; Ligand: PHY; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PHY 1 1
2 P0D 0.519231 0.878049
3 2D8 0.5 0.8
4 LY0 0.5 0.8
5 POB 0.446809 0.829268
6 AEP 0.413043 0.681818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1EHI; Ligand: ADP; Similar sites found: 283
This union binding pocket(no: 1) in the query (biounit: 1ehi.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4KBA 1QM 0.005188 0.43038 1.20846
2 5W4W 9WG 0.004106 0.42626 1.20846
3 1Y57 MPZ 0.008385 0.40207 1.32626
4 2F2U M77 0.001621 0.45003 1.59151
5 4YZC STU 0.009543 0.41555 1.59151
6 5JFS 6K0 0.01182 0.41435 1.62338
7 1ZY5 ANP 0.001611 0.41896 1.65016
8 2IF8 ADP 0.003464 0.44435 1.65289
9 3ETH ATP 0.0000009054 0.57276 1.69014
10 3G5D 1N1 0.001959 0.46319 1.74825
11 3PP0 03Q 0.001885 0.4065 1.77515
12 4AXD ANP 0.006381 0.42473 1.85676
13 3IGO ANP 0.002376 0.40966 1.85676
14 4AUA 4AU 0.002939 0.40742 1.9544
15 1VJY 460 0.01583 0.40088 1.9802
16 2B9J ADP 0.005313 0.41261 1.983
17 2B9I ADP 0.004519 0.41196 1.983
18 2B9H ADP 0.004027 0.41048 1.983
19 4GJ3 0XP 0.002712 0.43441 1.98676
20 4WB6 ATP 0.0025 0.43011 2
21 3HAV ATP 0.0002067 0.40481 2.00669
22 5JZJ AN2 0.004028 0.40356 2.0202
23 4CS9 AMP 0.009524 0.41728 2.1164
24 4XH0 ADP 0.001828 0.45969 2.12202
25 4OCJ NDG 0.002873 0.44076 2.12202
26 4UAL 3FV 0.00063 0.44053 2.12202
27 3X01 AMP 0.008515 0.42556 2.12202
28 4WHZ 3NL 0.02413 0.40593 2.12202
29 4JR7 GNP 0.002615 0.4141 2.13904
30 2R5T ANP 0.001664 0.41596 2.14477
31 3TKI S25 0.006436 0.43669 2.16718
32 4IZY 1J2 0.000849 0.43308 2.16802
33 4DFU QUE 0.0004858 0.48768 2.17391
34 2HY0 306 0.01069 0.4064 2.17391
35 5C4L 4XR 0.002767 0.43401 2.18069
36 2Z7R STU 0.001058 0.42558 2.18069
37 4UX9 ANP 0.002517 0.41418 2.1978
38 4P5Z Q7M 0.006504 0.42434 2.21607
39 2YAB AMP 0.003587 0.41265 2.21607
40 3E7O 35F 0.01108 0.40795 2.22222
41 5VCV 1N1 0.003665 0.41952 2.2508
42 5DA3 58V 0.006915 0.41962 2.26415
43 4L3L 5FI 0.0009795 0.45292 2.30263
44 3MVH WFE 0.001363 0.44646 2.33918
45 2PYW ADP 0.001044 0.43776 2.38727
46 4NM5 ADP 0.002388 0.42595 2.38727
47 1GPE FAD 0.03049 0.40104 2.38727
48 3ZRM ZRM 0.0004778 0.44536 2.42588
49 4FHD EEM 0.01067 0.40871 2.44565
50 4FHD 0TT 0.01067 0.40871 2.44565
51 4LH7 1X8 0.000575 0.49269 2.47678
52 5JKG 6LF 0.01629 0.40583 2.57235
53 2WQN ADP 0.001176 0.45155 2.58065
54 2J7T 274 0.009378 0.40872 2.64901
55 2VPQ ANP 0.0000002566 0.59934 2.65252
56 3ORQ ADP 0.000001585 0.54603 2.65252
57 1KJ8 ATP 0.0000002215 0.46289 2.65252
58 4U98 ACP 0.0004567 0.46046 2.65252
59 3V8S 0HD 0.0001565 0.45982 2.65252
60 1KJ8 GAR 0.0000002424 0.45623 2.65252
61 4QTB 38Z 0.004143 0.42332 2.65252
62 4PU5 ANP 0.002511 0.40338 2.65252
63 4YLL 4E3 0.008398 0.40204 2.65252
64 4BTK DTQ 0.004652 0.40258 2.67062
65 4N70 2HX 0.001618 0.46182 2.7439
66 4CLI 5P8 0.003634 0.44134 2.75229
67 4H3Q ANP 0.007944 0.4031 2.76243
68 1V0O INR 0.002846 0.42078 2.77778
69 5LI1 ANP 0.002176 0.42588 2.82486
70 3LXN MI1 0.0009713 0.43911 2.83019
71 1O9U ADZ 0.000135 0.49851 2.85714
72 1IA9 ANP 0.001164 0.43365 2.85714
73 5LI9 ACP 0.001846 0.42505 2.85714
74 3F7Z 34O 0.003457 0.4097 2.85714
75 3CY2 MB9 0.001267 0.43799 2.86624
76 4M69 ANP 0.005385 0.40695 2.8754
77 4CSV STI 0.006746 0.40621 2.90909
78 4NFN 2KC 0.006596 0.40839 2.91262
79 3WVR AMP 0.0001483 0.45579 2.91777
80 4GYI ADP 0.001131 0.45235 2.91777
81 3SXF BK5 0.003009 0.43626 2.91777
82 3DNT ATP 0.002154 0.42967 2.91777
83 4AZW ATP 0.002545 0.42103 2.91777
84 2WU6 DKI 0.001318 0.41464 2.91777
85 3TPV ADE 0.003242 0.41453 2.91777
86 4WNK 453 0.007536 0.41301 2.91777
87 2FB3 GTP 0.01292 0.40243 2.94118
88 4TWP AXI 0.00526 0.43474 2.95203
89 4YMJ 4EJ 0.0003371 0.49807 2.96053
90 4XLI 1N1 0.003074 0.4068 2.98507
91 5DEY 59T 0.002214 0.45893 3.0303
92 4AU8 Z3R 0.00251 0.44087 3.04054
93 3ALN ANP 0.001557 0.43656 3.0581
94 5TA6 79D 0.007416 0.41057 3.07263
95 3O0G 3O0 0.002787 0.40866 3.08219
96 4FG8 ATP 0.001072 0.43727 3.1746
97 2QK4 ATP 0.000004507 0.48306 3.18302
98 4UWH JXM 0.001049 0.44894 3.18302
99 3TII ANP 0.0002814 0.43449 3.18302
100 5I35 ANP 0.00136 0.42116 3.18302
101 2PZI AXX 0.005273 0.42088 3.18302
102 4H3P ANP 0.0009097 0.43384 3.31492
103 3GGF GVD 0.00206 0.43547 3.32226
104 5BVE 4VG 0.006605 0.44142 3.3241
105 1CKM GTP 0.008935 0.41867 3.33333
106 4I94 ANP 0.003809 0.40281 3.33333
107 1PHK ATP 0.001557 0.42822 3.3557
108 2XK9 XK9 0.01176 0.41025 3.41615
109 4XV1 904 0.00521 0.42413 3.42466
110 4EUU BX7 0.0008703 0.45045 3.44828
111 4ANW O92 0.003445 0.43104 3.44828
112 1U5R ATP 0.002341 0.4286 3.44828
113 5DZT AMP 0.0001722 0.41351 3.44828
114 4CRL C1I 0.01302 0.40595 3.44828
115 1OUK 084 0.01949 0.43555 3.55191
116 3DLS ADP 0.0004987 0.43366 3.58209
117 4GLW 0XT 0.0007671 0.40244 3.60656
118 3SLS ANP 0.001563 0.41604 3.61842
119 5HCY 60D 0.02019 0.40623 3.62538
120 2HGS ADP 0.00001131 0.52752 3.71353
121 4R33 TRP 0.01703 0.40173 3.71353
122 4R33 SAH 0.01703 0.40173 3.71353
123 4KS7 X4Z 0.002054 0.40698 3.76712
124 4E1Z 0MX 0.0005613 0.45344 3.78007
125 5USZ SKE 0.001177 0.44626 3.80623
126 4BKJ STI 0.0125 0.40434 3.80952
127 4OTH DRN 0.0004009 0.45782 3.81232
128 2V7O DRN 0.0007634 0.40826 3.86905
129 4I6H 1C8 0.002894 0.42046 3.8961
130 3EKK GS2 0.006127 0.42443 3.90879
131 4XYM A12 0.0001933 0.46711 3.91304
132 4OUC 5ID 0.002994 0.40185 3.92157
133 4NST ADP 0.002404 0.41586 3.9886
134 2XMY CDK 0.006433 0.44405 4.02685
135 3PLS ANP 0.002064 0.41451 4.02685
136 2R4V GSH 0.01589 0.40286 4.04858
137 5COU ATP 0.0007901 0.42811 4.11765
138 3DGY 2GP 0.02113 0.40576 4.12371
139 5HVJ ANP 0.001158 0.46913 4.12698
140 2R7K AMZ 0.002042 0.43709 4.15512
141 2PVF ACP 0.002825 0.42494 4.19162
142 4OH4 ANP 0.0006109 0.45011 4.2042
143 2YAK OSV 0.0005009 0.46602 4.21053
144 4A4X JUP 0.003516 0.42353 4.24403
145 4O1P ANP 0.004102 0.40628 4.24403
146 5HX8 66P 0.0007903 0.4072 4.30464
147 2VN9 GVD 0.0005029 0.41631 4.31894
148 5TDF ADP 0.0007503 0.44396 4.32099
149 5EFQ ADP 0.002132 0.41821 4.32277
150 2OFV 242 0.01305 0.40818 4.33213
151 2Q7D ANP 0.0001503 0.4321 4.33526
152 1K3A ACP 0.001104 0.41602 4.34783
153 3KRR DQX 0.006427 0.44339 4.40678
154 1GSA ADP 0.0000002637 0.59883 4.43038
155 3RI1 3RH 0.001251 0.44346 4.47284
156 3QCQ 3Q0 0.01377 0.43736 4.48718
157 2R85 AMP 0.01118 0.40655 4.49102
158 5LVP ATP 0.0004765 0.43112 4.50161
159 4Y0X ADP 0.0003953 0.43878 4.50928
160 5DXT 5H5 0.002944 0.41633 4.50928
161 2PUL ACP 0.004593 0.41545 4.50928
162 5LPZ ADP 0.0032 0.41067 4.51807
163 3TXO 07U 0.0008494 0.4267 4.53258
164 5A6N U7E 0.001215 0.43285 4.59364
165 4JDI ANP 0.002693 0.41292 4.62428
166 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.002639 0.45776 4.67836
167 2JDR L20 0.002639 0.45776 4.67836
168 5LPB ADP 0.001424 0.40431 4.72973
169 3KMW ATP 0.003207 0.42246 4.79705
170 4IX4 ADP 0.0003199 0.45995 4.85714
171 4WNP 3RJ 0.002082 0.40672 4.87805
172 3UIM ANP 0.005354 0.40187 4.90798
173 1XJD STU 0.001167 0.43359 4.92754
174 3WO0 ALA 0.0000002016 0.63259 5.03979
175 3V4S ATP 0.0000001993 0.60132 5.03979
176 3V4S ADP 0.000001656 0.58698 5.03979
177 3WO0 ADP 0.00147 0.48471 5.03979
178 3SRV S19 0.001725 0.41819 5.05415
179 4F4P 0SB 0.0143 0.42365 5.12821
180 5X8I SQZ 0.001617 0.42352 5.20231
181 5GZ9 ANP 0.005689 0.40945 5.2459
182 2IO8 ADP 0.00000217 0.5613 5.30504
183 2CFM AMP 0.003153 0.43609 5.30504
184 5LXC 7AA 0.000474 0.43549 5.30504
185 4BHN BH9 0.002147 0.42423 5.38922
186 1XK5 TPG 0.02401 0.40484 5.39216
187 1BYG STU 0.0009678 0.42391 5.39568
188 2X4Z X4Z 0.008199 0.41632 5.40541
189 3RE4 TO1 0.004891 0.42689 5.42636
190 5C03 AGS 0.0007332 0.43744 5.55556
191 2AGC DAO 0.009891 0.41647 5.55556
192 5UIU 8CG 0.005333 0.41978 5.57276
193 1UPR 4IP 0.021 0.41333 5.69106
194 3VPD ANP 0.000001434 0.56408 5.69395
195 2QLU ADE 0.009236 0.4126 5.73248
196 4C2W ANP 0.001226 0.41471 5.76923
197 4OCV ANP 0.0008965 0.43851 5.83554
198 4YZN 4K5 0.001465 0.43523 5.92335
199 3KRL KRL 0.004069 0.41406 5.97015
200 2CSN CKI 0.003458 0.42385 6.06061
201 1Q8Y ADP 0.003588 0.41458 6.16622
202 1Q8Y ADE 0.0008137 0.4005 6.16622
203 1RE8 BD2 0.0007394 0.47592 6.28571
204 2QCS ANP 0.001639 0.43825 6.28571
205 3FHI ANP 0.002677 0.42879 6.28571
206 2YW2 ATP 0.000005868 0.52193 6.36605
207 3KAL ADP 0.0001127 0.40746 6.36605
208 2GU8 796 0.001973 0.46303 6.52819
209 3C0G 3AM 0.001005 0.41826 6.55271
210 5EOB 5QQ 0.01485 0.41997 6.58307
211 5UOX 8GY 0.00113 0.43826 6.64207
212 4X7Q 3YR 0.00336 0.41761 6.73077
213 5EYK 5U5 0.01074 0.40195 6.77966
214 4C2V YJA 0.007685 0.41262 6.81818
215 3IDB ANP 0.0007828 0.44713 6.8323
216 5IH9 6BF 0.006637 0.4217 6.86567
217 4BCN T9N 0.00108 0.45329 6.87023
218 4CFU 2WC 0.001143 0.44723 6.87023
219 4BCM T7Z 0.0005759 0.41032 6.87023
220 4BCQ TJF 0.0009092 0.40691 6.87023
221 5MY8 RXZ 0.001262 0.44162 6.89655
222 4F9C 0SX 0.003812 0.40357 6.94444
223 3AKK ADP 0.001742 0.42612 7.07692
224 3I0O ADP 0.0005143 0.47406 7.07965
225 5HQ0 LZ9 0.0016 0.42974 7.14286
226 4BFM ANP 0.001052 0.43761 7.18563
227 4CC6 L5Y 0.0002467 0.41902 7.2327
228 4O4F ATP 0.003479 0.42215 7.25806
229 4O4F IHP 0.003776 0.42215 7.25806
230 4WW7 AMP 0.003288 0.41809 7.27969
231 3HMO STU 0.005575 0.41167 7.30994
232 1U59 STU 0.0007139 0.44714 7.31707
233 5K2M ADP 0.00000006803 0.62734 7.32601
234 2ZV2 609 0.001409 0.45297 7.38255
235 3KN5 ANP 0.0007143 0.42349 7.38462
236 3DAK ANP 0.006992 0.41106 7.58621
237 3GC0 AMP 0.0008674 0.42144 7.59878
238 3F81 STT 0.01245 0.40567 7.65027
239 3K5I ADP 0.0000001363 0.5895 7.69231
240 1T36 ADP 0.000007589 0.5439 7.69231
241 3K5I AIR 0.000001696 0.4626 7.69231
242 5MW8 ATP 0.005382 0.41051 7.69231
243 1I7L ATP 0.0000001595 0.55461 7.76699
244 5G1X ADP 0.004216 0.40316 7.93651
245 2XVD AS6 0.007929 0.41066 7.94702
246 5N87 N66 0.008332 0.41715 7.98722
247 3PE2 E1B 0.0007535 0.47554 8.01187
248 2BKK ADP 0.001249 0.41105 8.28402
249 3OFM 4B0 0.0007392 0.42194 8.28571
250 5VC5 96M 0.003282 0.42639 8.3045
251 5LXM ADP 0.003432 0.40686 8.48057
252 3GNI ATP 0.004052 0.40526 8.5044
253 5FI4 5XV 0.005735 0.41096 8.66873
254 2VQD AP2 0.000004683 0.53917 8.75332
255 1M0W ANP 0.0002273 0.44942 9.01857
256 4QMN DB8 0.0004652 0.47469 9.03226
257 2YRX AMP 0.0001689 0.42075 9.09091
258 5HES 032 0.002811 0.42105 9.12052
259 3HZT J60 0.001901 0.40081 9.54907
260 5KMS NAD 0.04548 0.40022 9.54907
261 5UR1 YY9 0.00883 0.42224 9.96785
262 1W2D ADP 0.005087 0.42606 10.1887
263 1PK8 ATP 0.000000241 0.5383 10.6101
264 4CQK PIO 0.0169 0.41252 10.6383
265 5LXT ACP 0.00005341 0.46805 11.1888
266 3AQV TAK 0.005352 0.40098 11.5942
267 5L8L ADP 0.002996 0.40014 11.9658
268 2VZ6 FEF 0.005279 0.42086 12.1406
269 5NBW 8SK 0.003916 0.42697 12.1622
270 1RGE 2GP 0.01845 0.40846 12.5
271 1AUX AGS 0.0000007548 0.57766 12.8617
272 2A19 ANP 0.01634 0.40153 14.8571
273 5VZ0 ADP 0.00000937 0.50835 15.3846
274 4Q5H ANP 0.007097 0.40334 15.3846
275 4MV1 ADP 0.001004 0.45534 16.6667
276 3VPB ADP 0.00000004806 0.56364 17.3759
277 3VPC ADP 0.0000006067 0.55287 17.3759
278 4USF 6UI 0.002381 0.42776 18.0921
279 4Y8D 49J 0.002981 0.4199 18.5294
280 3VOT ADP 0.000001532 0.51597 19.6286
281 3LQV ADE 0.004035 0.44103 20.5128
282 2QF7 AGS 0.004579 0.41993 22.2812
283 1E4E ADP 0.0000000003918 0.71143 49.8542
Pocket No.: 2; Query (leader) PDB : 1EHI; Ligand: PHY; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 1ehi.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5JAQ NAI 0.03768 0.4035 2.65252
2 1LDN NAD 0.02859 0.40153 3.16456
3 4EUE NAI 0.03199 0.4002 4.24403
4 2XKO AKG 0.01808 0.40105 20.2247
5 1E4E PHY 0.000000006391 0.69152 49.8542
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