-->
Receptor
PDB id Resolution Class Description Source Keywords
3WDK 2.3 Å EC: 6.3.2.36 CRYSTAL STRUCTURE OF 4-PHOSPHOPANTOATE-BETA-ALANINE LIGASE C WITH REACTION INTERMEDIATE THERMOCOCCUS KODAKARENSIS LIGASE
Ref.: CRYSTAL STRUCTURE OF PHOSPHOPANTOTHENATE SYNTHETASE THERMOCOCCUS KODAKARENSIS PROTEINS V. 82 1924 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FLC A:302;
C:302;
D:302;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
189.1 C6 H5 O7 C(C(=...
PTJ A:301;
C:301;
D:301;
B:901;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
557.343 C16 H25 N5 O13 P2 CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WDM 2 Å EC: 6.3.2.36 CRYSTAL STRUCTURE OF 4-PHOSPHOPANTOATE-BETA-ALANINE LIGASE F THERMOCOCCUS KODAKARENSIS THERMOCOCCUS KODAKARENSIS LIGASE
Ref.: CRYSTAL STRUCTURE OF PHOSPHOPANTOTHENATE SYNTHETASE THERMOCOCCUS KODAKARENSIS PROTEINS V. 82 1924 2014
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3WDM - ADN C10 H13 N5 O4 c1nc(c2c(n....
2 3WDK - PTJ C16 H25 N5 O13 P2 CC(C)(COP(....
3 4MB2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3WDL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3WDM - ADN C10 H13 N5 O4 c1nc(c2c(n....
2 3WDK - PTJ C16 H25 N5 O13 P2 CC(C)(COP(....
3 4MB2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3WDL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3WDM - ADN C10 H13 N5 O4 c1nc(c2c(n....
2 3WDK - PTJ C16 H25 N5 O13 P2 CC(C)(COP(....
3 4MB2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3WDL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PTJ; Similar ligands found: 393
No: Ligand ECFP6 Tc MDL keys Tc
1 PTJ 1 1
2 PAJ 0.840909 0.961538
3 5AL 0.752809 0.934211
4 8QN 0.731183 0.934211
5 SRP 0.717391 0.886076
6 4AD 0.705263 0.875
7 CA0 0.704545 0.897436
8 AMO 0.6875 0.886076
9 ME8 0.676768 0.86747
10 A 0.670588 0.894737
11 AMP 0.670588 0.894737
12 A2D 0.666667 0.871795
13 LAD 0.666667 0.843373
14 ADP 0.662921 0.896104
15 NB8 0.66 0.853659
16 TXA 0.66 0.910256
17 BA3 0.651685 0.871795
18 M33 0.648352 0.884615
19 B4P 0.644444 0.871795
20 AP5 0.644444 0.871795
21 ATP 0.641304 0.896104
22 HEJ 0.641304 0.896104
23 YAP 0.640777 0.875
24 FA5 0.640777 0.886076
25 AN2 0.637363 0.884615
26 AT4 0.637363 0.8625
27 AQP 0.634409 0.896104
28 5FA 0.634409 0.896104
29 PRX 0.634409 0.873418
30 ADX 0.630435 0.790698
31 DLL 0.63 0.909091
32 ABM 0.629214 0.871795
33 OOB 0.626263 0.909091
34 50T 0.623656 0.860759
35 ACP 0.623656 0.873418
36 APR 0.617021 0.896104
37 AR6 0.617021 0.896104
38 DAL AMP 0.616162 0.909091
39 YLP 0.614679 0.825581
40 ACQ 0.614583 0.873418
41 00A 0.613861 0.864198
42 1ZZ 0.61165 0.86747
43 SAP 0.610526 0.851852
44 AD9 0.610526 0.873418
45 AGS 0.610526 0.851852
46 25A 0.61 0.896104
47 3UK 0.607843 0.897436
48 TYM 0.603604 0.886076
49 ATF 0.602041 0.8625
50 PR8 0.601942 0.833333
51 B5V 0.601942 0.886076
52 WAQ 0.601942 0.864198
53 YLB 0.598214 0.847059
54 YLC 0.598214 0.845238
55 AHX 0.598039 0.831325
56 ANP 0.597938 0.873418
57 GAP 0.597938 0.873418
58 A12 0.597826 0.8625
59 AP2 0.597826 0.8625
60 6YZ 0.59596 0.873418
61 COD 0.594828 0.860465
62 B5Y 0.59434 0.898734
63 B5M 0.59434 0.898734
64 9ZD 0.594059 0.935897
65 9ZA 0.594059 0.935897
66 OAD 0.592233 0.922078
67 SRA 0.588889 0.85
68 9SN 0.584906 0.853659
69 A22 0.584158 0.884615
70 APC 0.583333 0.8625
71 YLA 0.582609 0.804598
72 TAT 0.581633 0.8625
73 T99 0.581633 0.8625
74 3OD 0.580952 0.922078
75 AU1 0.578947 0.873418
76 5SV 0.578431 0.831325
77 AYB 0.577586 0.837209
78 9X8 0.576923 0.875
79 A1R 0.572816 0.819277
80 ADQ 0.572816 0.873418
81 4UV 0.568807 0.875
82 SON 0.568421 0.910256
83 4UW 0.566372 0.865854
84 BIS 0.566038 0.841463
85 LAQ 0.5625 0.823529
86 RBY 0.561224 0.8625
87 ADV 0.561224 0.8625
88 25L 0.560748 0.884615
89 XAH 0.559633 0.802326
90 ARG AMP 0.558559 0.813953
91 4UU 0.558559 0.875
92 A3R 0.557692 0.819277
93 48N 0.557522 0.876543
94 YLY 0.557377 0.837209
95 FYA 0.551402 0.8375
96 IOT 0.547009 0.816092
97 MYR AMP 0.546296 0.845238
98 ADP PO3 0.545455 0.87013
99 GA7 0.544643 0.8625
100 52H 0.543689 0.827586
101 TYR AMP 0.540541 0.851852
102 OMR 0.534483 0.857143
103 N0B 0.531746 0.804598
104 AFH 0.530973 0.821429
105 AP0 0.529915 0.831325
106 LMS 0.526882 0.770115
107 DQV 0.526316 0.884615
108 TXD 0.525862 0.841463
109 NAI 0.525862 0.841463
110 6V0 0.525862 0.831325
111 ADP ALF 0.524272 0.807229
112 ALF ADP 0.524272 0.807229
113 TSB 0.52381 0.784091
114 53H 0.52381 0.827586
115 MAP 0.52381 0.851852
116 G3A 0.522124 0.853659
117 TXE 0.521368 0.841463
118 F2R 0.520661 0.825581
119 80F 0.520325 0.804598
120 ADP VO4 0.519231 0.860759
121 VO4 ADP 0.519231 0.860759
122 ADP BMA 0.518519 0.85
123 G5P 0.517544 0.853659
124 AOC 0.515789 0.759494
125 GTA 0.513043 0.845238
126 DND 0.512821 0.886076
127 NAX 0.512821 0.811765
128 NXX 0.512821 0.886076
129 BT5 0.512195 0.816092
130 ADN 0.511628 0.75641
131 RAB 0.511628 0.75641
132 XYA 0.511628 0.75641
133 5AS 0.510204 0.747253
134 A5A 0.509615 0.793103
135 JB6 0.509091 0.819277
136 LPA AMP 0.504274 0.802326
137 A3P 0.5 0.894737
138 AMP DBH 0.5 0.82716
139 VMS 0.5 0.816092
140 5N5 0.5 0.734177
141 TAD 0.5 0.821429
142 CNA 0.5 0.8625
143 54H 0.5 0.816092
144 M24 0.496063 0.833333
145 A3D 0.496 0.897436
146 AF3 ADP 3PG 0.495798 0.821429
147 G5A 0.495146 0.747253
148 5X8 0.49505 0.75
149 7D5 0.494624 0.8125
150 5CD 0.494382 0.74359
151 ADJ 0.491803 0.793103
152 T5A 0.491803 0.804598
153 UPA 0.491667 0.841463
154 7MD 0.491379 0.823529
155 LEU LMS 0.490909 0.8
156 SSA 0.490566 0.747253
157 2A5 0.490196 0.82716
158 DCA 0.488189 0.872093
159 ETB 0.488189 0.882353
160 UP5 0.487395 0.851852
161 A A 0.486486 0.871795
162 LSS 0.486239 0.808989
163 NSS 0.486239 0.747253
164 PAP 0.485437 0.883117
165 ATR 0.485437 0.87013
166 A2P 0.484848 0.881579
167 AHZ 0.483051 0.823529
168 NVA LMS 0.481818 0.76087
169 5CA 0.481481 0.747253
170 COA 0.48062 0.872093
171 0T1 0.48062 0.872093
172 NAD 0.48 0.884615
173 139 0.479675 0.811765
174 7MC 0.479339 0.825581
175 4TC 0.479339 0.831325
176 EP4 0.478261 0.78481
177 A4D 0.477778 0.734177
178 EAD 0.477273 0.833333
179 NAQ 0.476923 0.876543
180 V3L 0.47619 0.921053
181 A4P 0.47541 0.786517
182 7D3 0.474747 0.814815
183 6RE 0.474227 0.705882
184 NDE 0.474074 0.886076
185 FAM 0.473684 0.852273
186 FCX 0.473684 0.863636
187 3DH 0.473684 0.7375
188 DTA 0.473118 0.728395
189 M2T 0.473118 0.765432
190 DSZ 0.472727 0.766667
191 A2R 0.472222 0.909091
192 6AD 0.471698 0.843373
193 PPS 0.471698 0.790698
194 EEM 0.471698 0.72093
195 SA8 0.471154 0.738095
196 ITT 0.470588 0.846154
197 7D4 0.470588 0.814815
198 CAO 0.469697 0.842697
199 COS 0.469697 0.852273
200 AMX 0.469697 0.882353
201 30N 0.469697 0.797872
202 ATP A A A 0.469565 0.858974
203 NAE 0.469231 0.898734
204 9K8 0.469027 0.723404
205 3AM 0.46875 0.857143
206 ARU 0.468468 0.821429
207 BTX 0.468254 0.804598
208 MTA 0.468085 0.759494
209 8X1 0.46789 0.723404
210 2SA 0.46729 0.886076
211 CMX 0.466165 0.894118
212 SCO 0.466165 0.894118
213 AR6 AR6 0.466102 0.871795
214 SFG 0.466019 0.7375
215 IMO 0.464646 0.857143
216 MCD 0.463235 0.873563
217 P1H 0.463235 0.835294
218 SMM 0.462963 0.735632
219 ACO 0.462687 0.842697
220 GSU 0.460177 0.766667
221 KAA 0.460177 0.723404
222 P5A 0.460177 0.715789
223 HAX 0.459259 0.852273
224 AMP NAD 0.456693 0.884615
225 2MC 0.456522 0.815217
226 FB0 0.456522 0.811111
227 3KK 0.455882 0.852273
228 FYN 0.455882 0.872093
229 7L1 0.455224 0.842697
230 A3G 0.454545 0.740741
231 DZD 0.453125 0.821429
232 YSA 0.452991 0.747253
233 SAI 0.45283 0.722892
234 HFD 0.45283 0.851852
235 SAH 0.45283 0.731707
236 OXK 0.452555 0.873563
237 SOP 0.452555 0.852273
238 COK 0.452555 0.852273
239 CA6 0.452555 0.773196
240 A3T 0.451923 0.782051
241 ZID 0.451128 0.873418
242 A3N 0.45 0.707317
243 J7C 0.45 0.714286
244 MCA 0.45 0.863636
245 COO 0.45 0.852273
246 S7M 0.449541 0.701149
247 CMC 0.449275 0.873563
248 CO6 0.449275 0.852273
249 NMX 0.449275 0.806452
250 1VU 0.449275 0.842697
251 3AT 0.448598 0.871795
252 6IA 0.448598 0.865854
253 SAM 0.448598 0.72093
254 FNK 0.448276 0.831461
255 2CP 0.446809 0.863636
256 NAJ PZO 0.446154 0.809524
257 CAJ 0.446043 0.873563
258 SCD 0.446043 0.894118
259 S4M 0.445545 0.659341
260 GJV 0.445545 0.697674
261 8PZ 0.444444 0.747253
262 1GZ 0.443662 0.842697
263 2AM 0.443299 0.846154
264 1HE 0.442857 0.833333
265 3HC 0.442857 0.862069
266 IVC 0.442857 0.862069
267 BCO 0.442857 0.852273
268 MLC 0.442857 0.873563
269 A1S 0.442857 0.852273
270 MAO 0.441176 0.747126
271 DSH 0.44 0.674419
272 CO7 0.439716 0.852273
273 FDA 0.439716 0.818182
274 CAA 0.439716 0.862069
275 YE1 0.439716 0.862069
276 NA7 0.438596 0.8625
277 GRA 0.4375 0.873563
278 GEK 0.4375 0.72619
279 NJP 0.4375 0.875
280 HXC 0.4375 0.833333
281 SCA 0.43662 0.873563
282 MC4 0.43662 0.806452
283 NDC 0.435714 0.831325
284 WSA 0.435484 0.755556
285 ZAS 0.434343 0.710843
286 0WD 0.434109 0.853659
287 G A A A 0.434109 0.831325
288 0UM 0.433628 0.729412
289 3CP 0.433566 0.873563
290 CA8 0.433566 0.773196
291 BYC 0.433566 0.852273
292 2KQ 0.433566 0.853933
293 HGG 0.433566 0.873563
294 COF 0.433566 0.833333
295 IRC 0.433566 0.862069
296 COW 0.433566 0.842697
297 AMZ 0.43299 0.846154
298 C2R 0.43299 0.858974
299 NAJ PYZ 0.432836 0.772727
300 A3S 0.432692 0.75
301 A7D 0.432692 0.719512
302 CO8 0.431507 0.833333
303 1CZ 0.431507 0.863636
304 4CA 0.430556 0.842697
305 BCA 0.430556 0.842697
306 FAQ 0.430556 0.852273
307 OVE 0.43 0.814815
308 A5D 0.429907 0.728395
309 62X 0.429825 0.735632
310 DCC 0.428571 0.833333
311 ST9 0.428571 0.833333
312 MYA 0.428571 0.833333
313 MFK 0.428571 0.833333
314 5F9 0.428571 0.833333
315 UCC 0.428571 0.833333
316 PGS 0.428571 0.797619
317 AV2 0.427273 0.825
318 71V 0.427184 0.819277
319 6FA 0.426573 0.825581
320 ODP 0.426357 0.843373
321 K15 0.426087 0.712644
322 6C6 0.425926 0.817073
323 NEC 0.425743 0.7125
324 TGC 0.424658 0.863636
325 DAT 0.424528 0.814815
326 4TA 0.423077 0.793103
327 WCA 0.422819 0.833333
328 5AD 0.422222 0.710526
329 DTP 0.422018 0.814815
330 NDP 0.421875 0.853659
331 2NE 0.421769 0.833333
332 CIC 0.421769 0.873563
333 S0N 0.421769 0.873563
334 7C5 0.421488 0.802469
335 FAD 0.42069 0.835294
336 SFD 0.42069 0.72449
337 FAS 0.42069 0.835294
338 HDC 0.42 0.833333
339 F2N 0.419355 0.8
340 62F 0.418919 0.823529
341 4CO 0.418919 0.842697
342 0FQ 0.418919 0.852273
343 SXZ 0.418803 0.783133
344 TXP 0.418605 0.853659
345 NZQ 0.418605 0.843373
346 NVA 2AD 0.416667 0.746988
347 01A 0.416107 0.815217
348 0ET 0.416107 0.833333
349 P5F 0.415584 0.829545
350 MHZ 0.415094 0.688889
351 4YB 0.414634 0.75
352 DAK 0.414474 0.824176
353 YNC 0.414474 0.842697
354 U A 0.413534 0.864198
355 1CV 0.413333 0.873563
356 CS8 0.413333 0.824176
357 AVV 0.412281 0.809524
358 6K6 0.412281 0.858974
359 A G 0.412214 0.841463
360 CCQ 0.412162 0.815217
361 8Z2 0.411765 0.824176
362 DA 0.411765 0.8125
363 D5M 0.411765 0.8125
364 2VA 0.411215 0.807692
365 NPW 0.410853 0.823529
366 NHM 0.410596 0.833333
367 UOQ 0.410596 0.833333
368 NHW 0.410596 0.833333
369 4KX 0.410596 0.824176
370 NIA 0.41 0.764706
371 8Q2 0.409449 0.723404
372 U A G G 0.409091 0.841463
373 MRS 0.407895 0.833333
374 MRR 0.407895 0.833333
375 HFQ 0.407895 0.833333
376 FAI 0.407767 0.846154
377 AAM 0.407767 0.894737
378 FAY 0.406667 0.823529
379 AAT 0.405405 0.659091
380 N6P 0.405172 0.844156
381 Y3J 0.404255 0.670886
382 RFL 0.403974 0.827586
383 GGZ 0.403509 0.747126
384 KB1 0.403361 0.689655
385 NA0 0.402878 0.910256
386 9JJ 0.402597 0.802326
387 7D7 0.402174 0.6875
388 A6D 0.401709 0.674157
389 PO4 PO4 A A A A PO4 0.401709 0.833333
390 649 0.401575 0.715789
391 XNP 0.401515 0.811765
392 SO8 0.4 0.797468
393 VRT 0.4 0.756098
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WDM; Ligand: ADN; Similar sites found with APoc: 272
This union binding pocket(no: 1) in the query (biounit: 3wdm.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 4V1F BQ1 None
2 4IBF 1D5 None
3 5ZI9 FLC 0.769231
4 5LW0 AR6 0.865801
5 5OJ7 AR6 1.14943
6 1M2Z BOG 1.16732
7 3BQD DAY 1.17647
8 4P6X HCY 1.17647
9 1LSS NAD 1.42857
10 5H4S RAM 1.53257
11 3OFK SAH 1.85185
12 3VSE SAH 1.91571
13 3PD6 KYN 1.91571
14 1KYQ NAD 1.91571
15 5LUN ARG 1.91571
16 2HXW FLC 2.1097
17 5GVR LMR 2.13675
18 4DE3 DN8 2.29885
19 3L9W AMP 2.29885
20 5FA5 MTA 2.29885
21 1SJD NPG 2.29885
22 3FUU ADN 2.29885
23 6FDF SAH 2.29885
24 1UWK URO 2.29885
25 1UWK NAD 2.29885
26 4GQB 0XU 2.29885
27 3T03 3T0 2.29885
28 5A3B APR 2.29885
29 4C4A SAH 2.29885
30 3MAG SAH 2.29885
31 3MCT SAH 2.29885
32 3MB5 SAM 2.35294
33 3EJ0 11X 2.55102
34 2AJH MET 2.55102
35 1WK8 VMS 2.57732
36 1V59 NAD 2.68199
37 3G5N PB2 2.68199
38 3G2O SAM 2.68199
39 5XNC MTA 2.68199
40 1ZQ9 SAM 2.68199
41 4ONQ SFG 2.68199
42 3WMX NAD 2.68199
43 5KVA SAM 2.68199
44 3X01 AMP 2.68199
45 2P41 SAH 2.68199
46 2R5T ANP 2.68199
47 1L1E SAH 2.68199
48 4TV1 36M 2.78884
49 2VDV SAM 2.84553
50 1UAY ADN 2.89256
51 5MGZ SAH 2.9661
52 5XJ7 87O 2.98507
53 1P1C SAH 3.01508
54 4IWN GEK 3.05677
55 2YX1 SFG 3.06513
56 1WG8 SAM 3.06513
57 4NKW PLO 3.06513
58 3A4T SFG 3.06513
59 2IF8 ADP 3.06513
60 5WP5 SAH 3.06513
61 5WBF LAC 3.06513
62 6CGN DA 3.06513
63 2PSJ CEI 3.06513
64 1G60 SAM 3.07692
65 5V4R MGT 3.08642
66 1TE2 PGA 3.09735
67 2FKA BEF 3.10078
68 2XHK AKG 3.15315
69 3DXY SAM 3.21101
70 3WV8 ATP 3.21101
71 3JWH SAH 3.22581
72 2P39 SCR 3.22581
73 3F5A SIA GAL NAG 3.25203
74 1IM8 SAI 3.27869
75 2HNK SAH 3.34728
76 5UGW GSH 3.42857
77 5LOG SAH 3.43348
78 2BCG GER 3.44828
79 1X87 NAD 3.44828
80 3A27 SAM 3.44828
81 3GU3 SAH 3.44828
82 5IL1 SAM 3.44828
83 1QH9 LAC 3.44828
84 1I9G SAM 3.44828
85 1SQF SAM 3.44828
86 3GRU AMP 3.44828
87 4OKD GLC GLC GLC 3.44828
88 1PJS NAD 3.44828
89 5K7U SAM 3.44828
90 3GWZ SAH 3.44828
91 1H3F TYE 3.44828
92 5OES ADP 3.44828
93 1O97 FAD 3.44828
94 3DLS ADP 3.44828
95 3C6K SPD 3.44828
96 3C6K MTA 3.44828
97 3ET3 ET1 3.44828
98 3GCZ SAM 3.44828
99 3GJ7 GDP 3.61991
100 3GJ3 GDP 3.61991
101 1VCO GLN 3.63636
102 1JG3 ADN 3.82979
103 2Z49 AMG 3.83142
104 5V3Y 5V8 3.83142
105 3EF0 ALF 3.83142
106 4X8D AVI 3.83142
107 3O01 DXC 3.83142
108 4M37 SAH 3.83142
109 4M38 SAH 3.83142
110 3LST SAH 3.83142
111 5YF1 SFG 3.83142
112 2Z48 NGA 3.83142
113 1NJR XYL 3.83142
114 4OBW SAM 3.89105
115 4IRP UDP 3.98406
116 4POO SAM 4
117 2VT3 ATP 4.18605
118 5DNK SAH 4.21456
119 4DMG SAM 4.21456
120 5HJM MTA 4.21456
121 2HIM ASN 4.21456
122 6BQ6 TER 4.21456
123 4LWP SAH 4.21456
124 5X8I SQZ 4.21456
125 1JJ7 ADP 4.23077
126 3E3U NVC 4.56853
127 3KDM TES 4.58716
128 3RKR NAP 4.5977
129 4KIB SAH 4.5977
130 1N2X SAM 4.5977
131 2G2Y MLI 4.5977
132 3BGD SAH 4.61538
133 3BGD PM6 4.61538
134 3LCC SAH 4.68085
135 5BXV MGP 4.6875
136 1EJH M7G 4.73684
137 3ICT ADP 4.7619
138 2J9L ATP 4.86486
139 1SQS TLA 4.95868
140 2PT9 S4M 4.98084
141 6DIO CIT 4.98084
142 2PT9 2MH 4.98084
143 1ZGA SAH 4.98084
144 1JQ3 AAT 4.98084
145 2I7C AAT 4.98084
146 3BXO SAM 5.02092
147 2GBB CIT 5.12821
148 2BZG SAH 5.17241
149 4IF4 BEF 5.28846
150 1RL4 BL5 5.31915
151 1RL4 BRR 5.31915
152 1TZD ADP 5.36398
153 3NB0 G6P 5.36398
154 5M90 JIF 5.36398
155 4YAG NAI 5.36398
156 5BW4 SAM 5.74713
157 5LX9 OLB 5.74713
158 4KRI SAH 5.74713
159 2WPB ZZI 5.74713
160 3GFS FMN 5.74713
161 1V6A TRE 5.74713
162 2OVW CBI 5.74713
163 4KRG SAH 5.74713
164 4A6D SAM 5.74713
165 4V3I ASP LEU THR ARG PRO 5.74713
166 2J73 GLC GLC GLC GLC 5.82524
167 2J73 GLC GLC GLC 5.82524
168 3B6C SDN 5.98291
169 2ZFU SAH 6.04651
170 3E70 GDP 6.09756
171 4Y9D NAI 6.13027
172 5CK5 GDP 6.13027
173 1OBB NAD 6.13027
174 3DMH SAM 6.13027
175 3EVG SAH 6.13027
176 2D5X L35 6.16438
177 4WGF HX2 6.34146
178 1M2K APR 6.4257
179 2GN2 C5P 6.43275
180 2J5V PCA 6.51341
181 2AOT SAH 6.51341
182 1XDS SAM 6.51341
183 1QZZ SAM 6.51341
184 1R18 SAH 6.60793
185 2O66 FLC 6.66667
186 1TIQ COA 6.66667
187 1IYB 5GP 6.73077
188 5WSY 7UC 6.93642
189 5ZW3 SAH 7.11111
190 3VC1 SAH 7.27969
191 3KP6 SAL 7.28477
192 3G89 SAM 7.63052
193 4P86 5GP 7.65027
194 2EJU SAH 7.66284
195 3A25 SAM 7.66284
196 5X62 SAH 7.66284
197 2PW0 TRC 7.66284
198 5OSW DIU 7.66284
199 1RJW ETF 7.66284
200 1U6R IOM 7.66284
201 3AB4 THR 7.66284
202 5OCA 9QZ 7.8341
203 5X7Q GLC GLC GLC GLC 8.04598
204 3PT9 SAH 8.04598
205 5X7Q GLC GLC GLC 8.04598
206 1FX8 BOG 8.04598
207 2Y4S BCD 8.04598
208 1NF8 BOG 8.21256
209 2HMT NAI 8.33333
210 6GSG RCO 8.42912
211 4J6C STR 8.42912
212 5L95 AMP 8.42912
213 4OX5 DAL 8.55615
214 5ABU GTG 8.69565
215 3TDC 0EU 8.81226
216 2Q28 ADP 8.81226
217 2CIR BG6 8.81226
218 6GNF ADP 8.81226
219 4URN NOV 8.88889
220 3KO0 TFP 8.91089
221 5MLJ 9ST 8.92857
222 2DT9 THR 8.98204
223 1VRP IOM 9.1954
224 3SUT OAN 9.1954
225 1DTL BEP 9.31677
226 4UYE 9F9 9.32203
227 1L7N ALF 9.47867
228 1MRH FMC 9.57854
229 2REG CHT 9.57854
230 4RDN 6MD 9.58084
231 1OYF MHN 9.91736
232 1LVL NAD 9.96169
233 2O07 MTA 9.96169
234 4FZV SAM 9.96169
235 3X0D SAH 9.96169
236 1HBK MYR 10.1124
237 1J78 OLA 10.3448
238 5TPX 7H7 10.5691
239 2UYQ SAM 10.728
240 4II2 ATP 10.8434
241 2Y7P SAL 11.0092
242 1QAN SAH 11.0656
243 3P13 RIP 11.1111
244 2EG5 SAH 11.4943
245 4UEC MGT 11.5385
246 3EGI ADP 11.6505
247 2CDU ADP 11.8774
248 3TKY SAH 11.8774
249 1KYZ SAH 12.2605
250 1EJ0 SAM 12.7778
251 2ZIF SAM 13.0268
252 5BSZ SAH 13.2
253 4RL4 PPV 13.2075
254 1N1V DAN 13.7931
255 1XVB 3BR 14.1762
256 6CWH 6LA 14.8352
257 2JHP SAH 15.3257
258 5JBX COA 15.3257
259 2JHP GUN 15.3257
260 3ZG6 APR 16.092
261 5A9A UTP 16.4609
262 1G55 SAH 18.0077
263 5KOK SAH 18.0077
264 5Z84 CHD 19.1781
265 5W97 CHD 19.1781
266 5ZCO CHD 19.1781
267 5ABX MGP 20
268 4QTU SAM 20
269 6FC1 MGP 20.3125
270 5FA8 SAM 21.118
271 4OGQ 7PH 23.5294
272 1UO5 PIH 23.5294
Pocket No.: 2; Query (leader) PDB : 3WDM; Ligand: ADN; Similar sites found with APoc: 130
This union binding pocket(no: 2) in the query (biounit: 3wdm.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 4RJD TFP None
3 1LNX URI None
4 6EK3 OUL None
5 3N8K D1X None
6 1M2Z DEX 1.16732
7 1FP2 SAH 1.91571
8 4Z7X 3CX 2.10084
9 3G2Y GF4 2.29885
10 1TV5 N8E 2.29885
11 1GVF PGH 2.29885
12 5FUS DAO 2.29885
13 1I0B PEL 2.29885
14 5IUY BOG 2.68199
15 5DXE EST 2.68199
16 5AZC PGT 2.68199
17 1YYE 196 2.68199
18 5WGD EST 2.68199
19 5WGQ EST 2.68199
20 5IM3 DTP 2.68199
21 4TR9 38D 2.68199
22 3K60 ADP 2.69058
23 2QZO KN1 2.71318
24 2QA8 GEN 2.71318
25 5HYR EST 2.71318
26 4MGA 27L 2.7451
27 4TUZ 36J 2.7451
28 4MGB XDH 2.7451
29 4MG7 27H 2.7451
30 4MGD 27N 2.7451
31 4MG8 27J 2.7451
32 3UUD EST 2.78884
33 3UUA 0CZ 2.78884
34 2Q1H AS4 2.8
35 5KQG 6VX 2.80899
36 1U3R 338 2.90456
37 2YJD YJD 2.91667
38 3OLL EST 2.91667
39 2BHW NEX 3.01724
40 2RBK VN4 3.06513
41 5XLX SAH 3.06513
42 3U31 NAD 3.06513
43 2I6U NVA 3.06513
44 6ECU SAH 3.06513
45 1UPR 4IP 3.25203
46 5UNJ RJW 3.26531
47 5T52 A2G 3.30579
48 5T52 NGA 3.30579
49 3T7S SAM 3.35821
50 1O97 AMP 3.44828
51 6BMM OLB 3.44828
52 3TKA SAM 3.44828
53 3AKK ADP 3.44828
54 1UP7 NAD 3.44828
55 3DAK ANP 3.44828
56 3WUR O4B 3.50877
57 5N53 8NB 3.58974
58 3RY9 1CA 3.6
59 3GJ4 GDP 3.61991
60 2V57 PRL 3.68421
61 4YMH SAH 3.75
62 5O2N FLC 3.83142
63 4YAC NAI 3.83142
64 3ET1 ET1 3.83142
65 4OAR 2S0 3.87597
66 5X3R 7Y3 3.90244
67 1H8S AIC 3.96825
68 4XCP PLM 4.11765
69 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 4.1841
70 1YRB GDP 4.21456
71 3ITJ CIT 4.21456
72 5N5D SAM 4.21456
73 2XN5 FUN 4.21456
74 3ITJ FAD 4.21456
75 3CQL NAG 4.52675
76 6GK6 MYR 4.5977
77 1EJ4 M7G 4.73684
78 3G5K BB2 4.91803
79 6H8S FSZ 4.98084
80 1ZGS XMM 4.98084
81 3SAO DBH 5
82 1RDL MMA 5.30973
83 1RZM E4P 5.36398
84 3FXU TSU 5.57377
85 1GXS BEZ 5.6962
86 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 5.71429
87 5LWY OLB 5.74713
88 2O1V ADP 5.74713
89 1FP1 SAH 5.74713
90 5W7B MYR 5.74713
91 3I0O SMI 6.13027
92 3O75 F1X 6.13027
93 3C0O M6P 6.51341
94 6CB2 OLC 6.89655
95 4PIO SAH 6.89655
96 4PIO AVI 6.89655
97 4AIG FLX 6.96517
98 3FGZ BEF 7.03125
99 3FAL REA 7.27969
100 5WJ6 B4A 7.27969
101 1G8K MGD 7.5188
102 1S8F GDP 7.9096
103 2ZXI FAD 8.04598
104 4LRZ ADP 8.05687
105 4FG8 ATP 8.42912
106 3PLN U5P 8.42912
107 2HHP FLC 8.81226
108 1EFV FAD 8.81226
109 1EFV AMP 8.81226
110 1YC4 43P 8.81226
111 5U0L 8YP 8.81226
112 4LPS GDP 9.09091
113 2NV2 GLN 9.31373
114 5UC4 83S 9.54545
115 3GDH SAH 9.95851
116 2VZ6 FEF 11.1111
117 1NU4 MLA 12.3711
118 2WOR 2AN 13
119 4G86 BNT 13.0268
120 2DPM SAM 13.41
121 1M48 FRG 13.5338
122 6CI9 F3V 13.8996
123 4V1T ADP 14.5594
124 1NME 159 15.0685
125 1Z0N BCD 15.625
126 6F5Z SAH 16.4502
127 6F5W KG1 17.6245
128 2VCN ISZ 19.1571
129 6GMN F4E 19.2308
130 5MWE TCE 22.8571
Pocket No.: 3; Query (leader) PDB : 3WDM; Ligand: ADN; Similar sites found with APoc: 75
This union binding pocket(no: 3) in the query (biounit: 3wdm.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 4D4U FUC GAL NAG 1.53257
3 3TLJ SAH 1.91571
4 3VOT ADP 1.91571
5 1SW1 PBE 2.29885
6 3MBC NAP 2.29885
7 5GM1 SAH 2.29885
8 2CBZ ATP 2.53165
9 5WP4 SAH 3.06513
10 6EOM ALA LYS 3.06513
11 2PEL LBT 3.38983
12 6HL7 CP 3.44828
13 1M0W ANP 3.44828
14 3GJ0 GDP 3.61991
15 3GJ5 GDP 3.61991
16 4XFR CIT 3.83142
17 2Z48 A2G 3.83142
18 4R5Z SIN 4.21456
19 1O5Q PYR 4.21456
20 4DC2 ADE 4.21456
21 5JGL SAM 4.5977
22 3N9R TD3 4.5977
23 5BXQ GDP 4.72441
24 3ICS ADP 4.7619
25 5ZJ5 GDP 4.93827
26 2OWZ CIT 4.98084
27 1L3I SAH 5.20833
28 4NSQ COA 5.26316
29 3I53 SAH 5.42169
30 1RLZ NAD 5.74713
31 5OLK DTP 5.74713
32 2AZ3 CDP 6.09756
33 3HQP FDP 6.13027
34 3WQM B29 6.13027
35 2PWY SAH 6.20155
36 3TL1 JRO 6.28931
37 3BY8 MLT 6.33803
38 6BR8 6OU 6.34921
39 5F6U 5VK 6.36943
40 2J5V RGP 6.51341
41 3HCH RSM 6.84932
42 4DFU QUE 6.89655
43 5E8J SAH 6.89655
44 5E9W SAH 6.89655
45 5OPM DTP 7.27969
46 5CX6 CDP 7.66284
47 6FA4 D1W 8.09249
48 3CBG SAH 8.18966
49 4N49 SAM 8.42912
50 3H8V ATP 8.42912
51 3SQG COM 8.81226
52 1LVG ADP 9.09091
53 1PVS 7HP 9.1954
54 2V7O DRN 9.1954
55 5ERG SAM 9.57854
56 1YRE COA 9.64467
57 2UZ1 TPP 9.96169
58 6CS8 F9Y 10.728
59 3JQM GTP 10.828
60 3H4L ANP 11.1111
61 1Q0S SAH 11.1969
62 4CS9 AMP 11.6402
63 3TKY N7I 11.8774
64 5UL4 SAM 11.8774
65 3VYW SAM 11.8774
66 5KAU RHQ 12.7273
67 3ENV ABF 13.1915
68 2FWP CIT 13.6612
69 5T48 MGP 14.0625
70 4OUE IPT 14.1762
71 4IA6 EIC 15.7088
72 5G3L SIA 16.1616
73 1T0S BML 17.4419
74 2FB3 MET 18.3908
75 3NJQ NJQ 27.4611
Pocket No.: 4; Query (leader) PDB : 3WDM; Ligand: ADN; Similar sites found with APoc: 40
This union binding pocket(no: 4) in the query (biounit: 3wdm.bio2) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 2GUD BMA None
2 2HYR BGC GLC None
3 3GN8 DEX None
4 4CSD MFU 1.14943
5 4EKQ NPO 1.60428
6 3RK0 AMP 2.1097
7 1FWV SGA MAG FUC 2.23881
8 6BR7 BEF 2.25564
9 2HK9 ATR 2.29885
10 2C91 TLA 2.29885
11 2BP1 FLC 2.77778
12 4CQM NAP 2.86885
13 4PU5 ANP 3.06513
14 5AB1 BCD TA5 HP6 MAN 3.06513
15 4XOE KGM 3.06513
16 1VAY AZA 3.06513
17 2XKO AKG 3.15315
18 3RS8 ALA TRP LEU PHE GLU ALA 3.83142
19 1IA9 ANP 3.83142
20 5T46 MGP 4.09091
21 6C1R EFD 4.5977
22 2EFJ SAH 4.5977
23 3B00 16A 4.98084
24 4JD0 1KH 5.17928
25 4JLS 3ZE 5.26316
26 4F4S EFO 5.26316
27 4L8F MTX 5.36398
28 5D3X 4IP 5.38922
29 5KTQ DCP 5.74713
30 5U83 ZN8 6.60377
31 4A3X LAT 6.60793
32 3LQV ADE 6.95652
33 4WOE ADP 7.66284
34 1XF1 CIT 8.04598
35 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 8.16327
36 2JGB MGT 8.71795
37 5C9J DAO 8.81226
38 6A4R ASP 10.728
39 4V2O CLQ 12.1951
40 1SQL GUN 12.3288
APoc FAQ
Feedback