Receptor
PDB id Resolution Class Description Source Keywords
6MFX 2.2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF A 4-DOMAIN CONSTRUCT OF A MUTANT OF LGR SUBSTRATE DONATION STATE BREVIBACILLUS PARABREVIS NONRIBOSOMAL PEPTIDE SYNTHETASE TAILORING DOMAIN NRPS ENZNATURAL PRODUCT LINEAR GRAMICIDIN LIGASE
Ref.: STRUCTURES OF A DIMODULAR NONRIBOSOMAL PEPTIDE SYNT REVEAL CONFORMATIONAL FLEXIBILITY. SCIENCE V. 366 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
APC A:2001;
Valid;
none;
submit data
505.208 C11 H18 N5 O12 P3 c1nc(...
9EF A:2000;
Invalid;
none;
submit data
383.335 C13 H26 N3 O8 P CC(=O...
VAL A:2002;
Valid;
none;
submit data
117.146 C5 H11 N O2 CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6MFX 2.2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF A 4-DOMAIN CONSTRUCT OF A MUTANT OF LGR SUBSTRATE DONATION STATE BREVIBACILLUS PARABREVIS NONRIBOSOMAL PEPTIDE SYNTHETASE TAILORING DOMAIN NRPS ENZNATURAL PRODUCT LINEAR GRAMICIDIN LIGASE
Ref.: STRUCTURES OF A DIMODULAR NONRIBOSOMAL PEPTIDE SYNT REVEAL CONFORMATIONAL FLEXIBILITY. SCIENCE V. 366 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 6MFW - VAL C5 H11 N O2 CC(C)[C@@H....
2 6MFX - VAL C5 H11 N O2 CC(C)[C@@H....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 6MFW - VAL C5 H11 N O2 CC(C)[C@@H....
2 6MFX - VAL C5 H11 N O2 CC(C)[C@@H....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 6MFW - VAL C5 H11 N O2 CC(C)[C@@H....
2 6MFX - VAL C5 H11 N O2 CC(C)[C@@H....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: APC; Similar ligands found: 392
No: Ligand ECFP6 Tc MDL keys Tc
1 APC 1 1
2 ACQ 0.831169 0.986301
3 A12 0.821918 1
4 AP2 0.821918 1
5 ADV 0.805195 0.972973
6 RBY 0.805195 0.972973
7 AMP 0.777778 0.931507
8 A 0.777778 0.931507
9 ADP 0.763158 0.958904
10 ACP 0.75641 0.986301
11 6YZ 0.756098 0.986301
12 A2D 0.746667 0.932432
13 AP5 0.74026 0.932432
14 B4P 0.74026 0.932432
15 ATP 0.734177 0.958904
16 HEJ 0.734177 0.958904
17 BA3 0.727273 0.932432
18 AQP 0.725 0.958904
19 5FA 0.725 0.958904
20 45A 0.723684 0.881579
21 ABM 0.723684 0.881579
22 AMP MG 0.72 0.891892
23 AN2 0.708861 0.945946
24 AT4 0.708861 0.921053
25 M33 0.7 0.92
26 TAT 0.698795 0.921053
27 T99 0.698795 0.921053
28 SRA 0.697368 0.883117
29 ADP MG 0.6875 0.905405
30 ADP BEF 0.6875 0.905405
31 APR 0.682927 0.932432
32 AR6 0.682927 0.932432
33 AU1 0.679012 0.933333
34 ADX 0.679012 0.841463
35 CA0 0.679012 0.907895
36 ANP 0.678571 0.933333
37 AGS 0.674699 0.909091
38 AD9 0.674699 0.933333
39 ADP PO3 0.674699 0.905405
40 ATP MG 0.674699 0.905405
41 APC MG 0.674699 0.932432
42 50T 0.670732 0.92
43 KG4 0.670732 0.907895
44 PRX 0.662651 0.858974
45 HQG 0.647727 0.945946
46 BEF ADP 0.647059 0.881579
47 ATF 0.643678 0.921053
48 A22 0.640449 0.945946
49 MAP 0.640449 0.909091
50 GAP 0.639535 0.858974
51 TAD 0.632653 0.923077
52 5AL 0.632184 0.894737
53 8LE 0.632184 0.860759
54 V2G 0.632184 0.886076
55 SON 0.626506 0.946667
56 ADQ 0.626374 0.907895
57 ALF ADP 0.625 0.8375
58 ANP MG 0.625 0.894737
59 VO4 ADP 0.625 0.907895
60 LMS 0.620253 0.797619
61 SRP 0.617977 0.896104
62 8LH 0.617977 0.871795
63 25A 0.615385 0.932432
64 9ZA 0.615385 0.873418
65 9ZD 0.615385 0.873418
66 RAB 0.611111 0.810811
67 ADN 0.611111 0.810811
68 XYA 0.611111 0.810811
69 25L 0.610526 0.945946
70 A1R 0.608696 0.922078
71 A3R 0.608696 0.922078
72 4AD 0.608696 0.909091
73 8LQ 0.604396 0.896104
74 QA7 0.604396 0.860759
75 DAL AMP 0.604396 0.87013
76 JNT 0.602151 0.933333
77 38V 0.598214 0.924051
78 OOB 0.597826 0.894737
79 8QN 0.597826 0.894737
80 5SV 0.597826 0.839506
81 OZV 0.597826 0.932432
82 ADP BMA 0.595745 0.883117
83 OAD 0.595745 0.907895
84 9X8 0.595745 0.884615
85 PAJ 0.591398 0.851852
86 AMO 0.591398 0.921053
87 AOC 0.585366 0.789474
88 AHX 0.585106 0.886076
89 00A 0.585106 0.85
90 DLL 0.585106 0.894737
91 3OD 0.583333 0.907895
92 BIS 0.583333 0.897436
93 PTJ 0.583333 0.8625
94 3UK 0.578947 0.883117
95 DZD 0.577982 0.923077
96 5AS 0.576471 0.752809
97 5N5 0.573333 0.786667
98 O02 0.573034 0.960526
99 WAQ 0.572917 0.897436
100 B5V 0.572917 0.871795
101 LAD 0.572917 0.875
102 PR8 0.572917 0.864198
103 4TC 0.571429 0.910256
104 FYA 0.56701 0.894737
105 ME8 0.56701 0.831325
106 TXA 0.56701 0.896104
107 NB8 0.56701 0.886076
108 1ZZ 0.56701 0.831325
109 5CD 0.565789 0.773333
110 A4D 0.565789 0.786667
111 KMQ 0.565657 0.896104
112 ATP A 0.565657 0.893333
113 ATP A A A 0.565657 0.893333
114 A3P 0.564706 0.931507
115 7D5 0.5625 0.868421
116 PAP 0.561798 0.945205
117 MYR AMP 0.561224 0.809524
118 G5P 0.558824 0.886076
119 M2T 0.556962 0.707317
120 9SN 0.555556 0.839506
121 G2P 0.553191 0.923077
122 7D3 0.552941 0.894737
123 UP5 0.552381 0.884615
124 TXD 0.552381 0.873418
125 JB6 0.55102 0.873418
126 2A5 0.550562 0.907895
127 B5Y 0.55 0.860759
128 FA5 0.55 0.896104
129 B5M 0.55 0.860759
130 G3A 0.54902 0.886076
131 3AM 0.548781 0.891892
132 A2P 0.546512 0.917808
133 7D4 0.545455 0.894737
134 XAH 0.544554 0.853659
135 ATR 0.544444 0.931507
136 EP4 0.544304 0.725
137 GA7 0.543689 0.896104
138 AFH 0.543689 0.875
139 H1Q 0.539326 0.868421
140 4UV 0.539216 0.860759
141 G5A 0.538462 0.772727
142 GTA 0.538462 0.853659
143 DQV 0.538462 0.92
144 NAI 0.537736 0.873418
145 DTA 0.5375 0.779221
146 3DH 0.536585 0.74359
147 LAQ 0.533333 0.831325
148 AHZ 0.533333 0.788235
149 MTA 0.530864 0.74359
150 7MD 0.528846 0.853659
151 ARG AMP 0.528846 0.821429
152 4UU 0.528846 0.860759
153 AR6 AR6 0.528846 0.881579
154 48N 0.528302 0.886076
155 LPA AMP 0.528302 0.809524
156 ITT 0.52809 0.905405
157 L3W 0.527778 0.896104
158 AMP DBH 0.524272 0.858974
159 DND 0.523364 0.896104
160 6V0 0.523364 0.8625
161 4UW 0.523364 0.829268
162 NAX 0.523364 0.864198
163 IMO 0.523256 0.891892
164 A4P 0.522936 0.813953
165 HFD 0.521739 0.909091
166 JSQ 0.521739 0.909091
167 A5A 0.521277 0.77907
168 TSB 0.520833 0.790698
169 OMR 0.518519 0.843373
170 TXE 0.518519 0.873418
171 2AM 0.518072 0.905405
172 6RE 0.517647 0.753086
173 S4M 0.517241 0.681818
174 6MZ 0.517241 0.893333
175 V3L 0.516129 0.932432
176 SSA 0.515789 0.793103
177 YLP 0.514019 0.833333
178 UPA 0.513761 0.873418
179 AP0 0.513761 0.8625
180 139 0.513514 0.864198
181 T5A 0.513514 0.855422
182 PPS 0.510638 0.841463
183 52H 0.510417 0.752809
184 54H 0.510417 0.761364
185 VMS 0.510417 0.761364
186 A2R 0.510417 0.945946
187 CNA 0.508929 0.896104
188 ZAS 0.505882 0.7375
189 J7C 0.505747 0.7625
190 A3N 0.505747 0.75641
191 5X8 0.505495 0.75641
192 5CA 0.505155 0.793103
193 8X1 0.505155 0.747253
194 53H 0.505155 0.752809
195 TYM 0.504587 0.896104
196 AF3 ADP 3PG 0.504587 0.829268
197 ALF ADP 3PG 0.504587 0.829268
198 IOT 0.504505 0.845238
199 80F 0.504348 0.833333
200 AMP NAD 0.5 0.87013
201 YLC 0.5 0.853659
202 NAD IBO 0.5 0.881579
203 7MC 0.5 0.833333
204 ADJ 0.5 0.843373
205 YLB 0.5 0.833333
206 OVE 0.5 0.87013
207 NAD TDB 0.5 0.881579
208 P5A 0.49505 0.758242
209 LSS 0.494949 0.755556
210 DSZ 0.494949 0.793103
211 NSS 0.494949 0.793103
212 NO7 0.494845 0.896104
213 6AD 0.494737 0.875
214 MAO 0.494382 0.77381
215 DSH 0.494253 0.740741
216 A3D 0.491379 0.883117
217 F2R 0.491228 0.855422
218 9K8 0.490196 0.691489
219 O05 0.490196 0.879518
220 NVA LMS 0.49 0.747253
221 AV2 0.489583 0.881579
222 CUU 0.48913 0.958904
223 NWW 0.4875 0.72973
224 NAD 0.486957 0.894737
225 COD 0.486957 0.825581
226 4TA 0.486957 0.821429
227 YLA 0.486726 0.833333
228 LEU LMS 0.485149 0.725275
229 NA7 0.485149 0.972973
230 3AT 0.484211 0.958904
231 GJV 0.483146 0.743902
232 AYB 0.482456 0.823529
233 5AD 0.480519 0.716216
234 KAA 0.480392 0.766667
235 GSU 0.480392 0.772727
236 71V 0.477778 0.873418
237 A3G 0.477273 0.792208
238 7D7 0.474359 0.736842
239 BTX 0.474138 0.855422
240 6C6 0.473684 0.896104
241 DAT 0.473118 0.92
242 SFG 0.473118 0.766234
243 YSA 0.471698 0.772727
244 PO4 PO4 A A A A PO4 0.470588 0.866667
245 BT5 0.470085 0.845238
246 AVV 0.47 0.910256
247 SMM 0.469388 0.701149
248 DTP 0.46875 0.92
249 SAM 0.46875 0.705882
250 6IA 0.46875 0.829268
251 A7D 0.467391 0.792208
252 M24 0.466667 0.819277
253 J4G 0.466019 0.909091
254 SA8 0.463158 0.722892
255 A5D 0.463158 0.779221
256 D4F 0.46281 0.809524
257 NAE 0.46281 0.860759
258 PGS 0.462366 0.85
259 MHZ 0.462366 0.712644
260 K3K 0.462264 0.772152
261 8PZ 0.462264 0.793103
262 NAJ PZO 0.462185 0.817073
263 D5M 0.460674 0.893333
264 DA 0.460674 0.893333
265 NEC 0.460674 0.717949
266 EAD 0.459677 0.841463
267 KOY 0.459459 0.772152
268 2SA 0.459184 0.921053
269 NAQ 0.459016 0.839506
270 SAH 0.458333 0.759494
271 SAI 0.458333 0.75
272 LQJ 0.457944 0.881579
273 B1U 0.457944 0.712766
274 Y3J 0.45679 0.697368
275 AAM 0.455556 0.931507
276 6K6 0.455446 0.893333
277 ZID 0.455285 0.883117
278 S7M 0.454545 0.705882
279 4YB 0.454545 0.755556
280 YLY 0.454545 0.823529
281 C2R 0.453488 0.868421
282 AMZ 0.453488 0.88
283 A3S 0.451613 0.802632
284 Z5A 0.451613 0.772727
285 7DD 0.451613 0.945205
286 7C5 0.449541 0.7875
287 101 0.449438 0.868421
288 EEM 0.44898 0.705882
289 NWQ 0.448276 0.710526
290 NAJ PYZ 0.447154 0.77907
291 N6P 0.446602 0.878378
292 ARU 0.446602 0.829268
293 AIR 0.445783 0.864865
294 NDE 0.445312 0.896104
295 P1H 0.445312 0.821429
296 N5O 0.444444 0.75641
297 N0B 0.443548 0.833333
298 NIA 0.443182 0.792683
299 A3T 0.442105 0.789474
300 GEK 0.441176 0.753086
301 QXP 0.441176 0.758621
302 K3E 0.440367 0.7625
303 V47 0.44 0.753247
304 GP2 0.438776 0.923077
305 DDS 0.438776 0.868421
306 WSA 0.438596 0.781609
307 7DT 0.4375 0.945205
308 0WD 0.436975 0.886076
309 N5A 0.434783 0.730769
310 8BR 0.434783 0.871795
311 AAT 0.434343 0.722892
312 DZ4 0.434343 0.896104
313 K2R 0.433962 0.87013
314 TXP 0.432203 0.886076
315 GGZ 0.431373 0.795181
316 NJP 0.428571 0.909091
317 A6D 0.428571 0.717647
318 QXG 0.428571 0.75
319 NYZ 0.428571 0.923077
320 FB0 0.427481 0.83908
321 NDC 0.427481 0.8625
322 PLP AAD 0.42623 0.728261
323 649 0.426087 0.758242
324 KL2 0.425287 0.805195
325 R2V 0.424528 0.758621
326 7RA 0.423913 0.918919
327 NDP 0.423729 0.886076
328 0UM 0.423077 0.714286
329 8Q2 0.422414 0.766667
330 ACK 0.422222 0.826667
331 QQY 0.422222 0.78481
332 RGT 0.422018 0.921053
333 FDA 0.421053 0.825581
334 CC5 0.419753 0.808219
335 ANZ 0.419643 0.771084
336 K2H 0.419048 0.728395
337 62X 0.419048 0.681818
338 APU 0.418803 0.860759
339 K2W 0.418182 0.756098
340 6FA 0.41791 0.833333
341 KY2 0.417476 0.746988
342 128 0.417391 0.75
343 ODP 0.416667 0.875
344 3AD 0.416667 0.797297
345 TM1 0.416667 0.747126
346 K15 0.415094 0.697674
347 CMP 0.414894 0.864865
348 2BA 0.414894 0.878378
349 V1N 0.414414 0.881579
350 S8M 0.413462 0.775
351 7RP 0.413043 0.890411
352 K38 0.412844 0.75
353 2VA 0.412371 0.769231
354 12D 0.412281 0.758621
355 FAS 0.411765 0.843373
356 FAD 0.411765 0.843373
357 SFD 0.411765 0.729167
358 NPW 0.411765 0.876543
359 2FA 0.411765 0.782051
360 K2K 0.411215 0.753086
361 QQX 0.411111 0.775
362 62F 0.410072 0.853659
363 NX8 0.41 0.731707
364 KYB 0.409524 0.746988
365 FAI 0.408602 0.88
366 AS 0.408602 0.848101
367 RMB 0.408602 0.837838
368 NZQ 0.408333 0.898734
369 GCP 0.407767 0.910256
370 SXZ 0.407407 0.72619
371 SP1 0.406593 0.810127
372 RP1 0.406593 0.810127
373 K3H 0.405405 0.722892
374 EO7 0.404255 0.761364
375 NVA 2AD 0.40404 0.753086
376 D3Y 0.403846 0.782051
377 KB1 0.40367 0.714286
378 KY5 0.40367 0.740741
379 SLU 0.403226 0.744444
380 N01 0.403226 0.87013
381 G 0.402062 0.871795
382 5GP 0.402062 0.871795
383 2TM 0.402062 0.835443
384 NMN AMP PO4 0.401639 0.8375
385 XNP 0.401639 0.841463
386 VRT 0.4 0.7625
387 FNK 0.4 0.797753
388 ETB 0.4 0.825581
389 3L1 0.4 0.789474
390 SO8 0.4 0.759494
391 3D1 0.4 0.789474
392 DCA 0.4 0.837209
Ligand no: 2; Ligand: VAL; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 VAL 1 1
2 SKG 0.666667 0.944444
3 THR 0.65 0.714286
4 ALO 0.65 0.714286
5 DAL 0.611111 0.882353
6 ALA 0.611111 0.882353
7 ILE 0.565217 0.727273
8 HGY 0.473684 0.608696
9 SKJ 0.464286 0.666667
10 AKB 0.454545 0.681818
11 DBB 0.454545 0.681818
12 ABA 0.454545 0.681818
13 LEU 0.44 0.772727
14 CDV 0.407407 0.607143
Similar Ligands (3D)
Ligand no: 1; Ligand: APC; Similar ligands found: 16
No: Ligand Similarity coefficient
1 GTP 0.9540
2 GH3 0.9510
3 2KH 0.9199
4 ADP ALF 0.9178
5 UTP 0.9039
6 DGT 0.9014
7 GNP 0.8983
8 CTP 0.8893
9 DCP 0.8885
10 GTP MG 0.8882
11 8DG 0.8837
12 DCT 0.8793
13 GSP 0.8789
14 GDP 0.8746
15 TTP 0.8740
16 ADP AF3 0.8583
Ligand no: 2; Ligand: VAL; Similar ligands found: 792
No: Ligand Similarity coefficient
1 KIV 1.0000
2 MAK 0.9885
3 DXX 0.9803
4 192 0.9764
5 TMZ 0.9747
6 VAH 0.9738
7 MLA 0.9735
8 THE 0.9727
9 MLI 0.9711
10 SER 0.9668
11 1AC 0.9668
12 TMT 0.9664
13 KG7 0.9646
14 03W 0.9646
15 DGY 0.9646
16 HUI 0.9644
17 3HL 0.9643
18 DAB 0.9613
19 AC5 0.9609
20 2RA 0.9607
21 MAE 0.9600
22 WTZ 0.9597
23 9TY 0.9593
24 HSE 0.9572
25 HIU 0.9571
26 3PY 0.9569
27 CYS 0.9569
28 DSN 0.9569
29 AAE 0.9557
30 NVA 0.9555
31 9X7 0.9553
32 SIN 0.9553
33 MLM 0.9552
34 QFH 0.9551
35 4XX 0.9545
36 2KT 0.9536
37 DMG 0.9536
38 HCS 0.9529
39 PLQ 0.9526
40 GG6 0.9525
41 9YL 0.9522
42 NXA 0.9521
43 FLA 0.9517
44 HQE 0.9516
45 23B 0.9515
46 FPN 0.9514
47 DE2 0.9510
48 PCR 0.9502
49 LMR 0.9495
50 SMB 0.9494
51 39J 0.9492
52 DA1 0.9492
53 CMS 0.9491
54 ASN 0.9491
55 IVA 0.9486
56 NMG 0.9475
57 PRO 0.9475
58 LG4 0.9473
59 A3B 0.9471
60 TFB 0.9471
61 FUM 0.9469
62 C2N 0.9469
63 ITN 0.9466
64 HRZ 0.9463
65 ASP 0.9453
66 MBN 0.9452
67 MLT 0.9451
68 4AP 0.9449
69 2PC 0.9448
70 GBD 0.9447
71 3AP 0.9447
72 25R 0.9445
73 9PO 0.9444
74 273 0.9443
75 WOT 0.9435
76 CSS 0.9433
77 3MC 0.9432
78 IPH 0.9431
79 CRN 0.9431
80 IOM 0.9431
81 5AC 0.9429
82 T2C 0.9428
83 GXE 0.9427
84 PXY 0.9427
85 2AP 0.9425
86 HVK 0.9425
87 282 0.9422
88 DCY 0.9422
89 HY3 0.9421
90 4CH 0.9413
91 DCD 0.9413
92 3HR 0.9409
93 P2D 0.9407
94 OAA 0.9407
95 J1Z 0.9405
96 C5J 0.9404
97 8CL 0.9403
98 MBD 0.9399
99 4HS 0.9399
100 LGA 0.9396
101 PYG 0.9396
102 25T 0.9377
103 PRS 0.9377
104 69O 0.9371
105 A2Q 0.9368
106 SSN 0.9367
107 HZP 0.9365
108 UGC 0.9365
109 DAS 0.9363
110 BML 0.9362
111 2C9 0.9361
112 280 0.9360
113 XLS 0.9360
114 5FX 0.9359
115 PAE 0.9356
116 CEJ 0.9355
117 HDA 0.9355
118 JBN 0.9355
119 LER 0.9353
120 GAG 0.9352
121 NBE 0.9351
122 4JN 0.9349
123 TTO 0.9349
124 FLM 0.9348
125 MRY 0.9346
126 TP5 0.9345
127 TEO 0.9342
128 JYD 0.9341
129 C21 0.9338
130 IPU 0.9336
131 3CE 0.9334
132 FFP 0.9332
133 3FA 0.9331
134 URF 0.9331
135 DPR 0.9330
136 3MH 0.9329
137 H95 0.9329
138 GMN 0.9327
139 1DH 0.9327
140 HX2 0.9324
141 NVI 0.9324
142 CIZ 0.9324
143 FOA 0.9324
144 V1L 0.9323
145 2CM 0.9323
146 PYF 0.9323
147 HBX 0.9320
148 PY7 0.9318
149 OXQ 0.9315
150 TM4 0.9315
151 ORN 0.9314
152 60P 0.9314
153 23W 0.9309
154 XUL 0.9309
155 SYN 0.9307
156 BEW 0.9305
157 ABN 0.9305
158 DUC 0.9305
159 LEA 0.9304
160 ICC 0.9303
161 2HE 0.9298
162 EHM 0.9298
163 2MH 0.9298
164 2MY 0.9296
165 2CO 0.9296
166 2IM 0.9296
167 TDR 0.9295
168 4HO 0.9295
169 HV2 0.9290
170 HHN 0.9290
171 0R1 0.9287
172 98J 0.9285
173 JZ9 0.9284
174 40O 0.9281
175 CHT 0.9281
176 6MH 0.9280
177 BZF 0.9280
178 BZI 0.9279
179 ECE 0.9279
180 DEN 0.9279
181 MPI 0.9274
182 BAE 0.9272
183 CP 0.9268
184 IOL 0.9267
185 GVH 0.9266
186 SMV 0.9264
187 L60 0.9264
188 IND 0.9263
189 RBL 0.9263
190 1XX 0.9261
191 XYP 0.9260
192 RSF 0.9260
193 0CT 0.9260
194 BEN 0.9259
195 TAY 0.9258
196 URA 0.9255
197 LZ1 0.9254
198 4MV 0.9253
199 ARB 0.9252
200 93B 0.9251
201 HPY 0.9251
202 IDM 0.9251
203 PIH 0.9250
204 QDK 0.9249
205 1MC 0.9248
206 3ZQ 0.9246
207 YHO 0.9246
208 0TR 0.9245
209 NK 0.9245
210 4JP 0.9245
211 IQ0 0.9238
212 APY 0.9238
213 SAT 0.9237
214 FW5 0.9236
215 ICP 0.9235
216 PYD 0.9235
217 NIO 0.9235
218 MCT 0.9234
219 FCN 0.9233
220 FPY 0.9231
221 PPF 0.9229
222 MZ0 0.9228
223 WBU 0.9227
224 RB5 0.9227
225 RB0 0.9227
226 XYL 0.9227
227 275 0.9225
228 9CL 0.9223
229 278 0.9223
230 NCA 0.9223
231 CAQ 0.9222
232 0R0 0.9222
233 HYN 0.9222
234 CXL 0.9220
235 PCA 0.9218
236 SAL 0.9218
237 GXV 0.9217
238 4JU 0.9214
239 HYA 0.9213
240 TH0 0.9212
241 XBZ 0.9212
242 YCP 0.9212
243 BEZ 0.9211
244 ABU 0.9205
245 5UC 0.9204
246 FUL 0.9202
247 7EX 0.9199
248 PCT 0.9199
249 LDU 0.9199
250 HGW 0.9199
251 DUB 0.9199
252 5JC 0.9198
253 8X3 0.9198
254 4DX 0.9197
255 TZC 0.9197
256 43M 0.9193
257 5MH 0.9192
258 MB3 0.9192
259 24T 0.9190
260 CRS 0.9190
261 MPD 0.9190
262 1SP 0.9189
263 HAI 0.9188
264 BVC 0.9188
265 E60 0.9187
266 COI 0.9187
267 ROR 0.9186
268 BVG 0.9184
269 XYD 0.9184
270 4JO 0.9181
271 BE2 0.9181
272 JZ3 0.9180
273 BAM 0.9180
274 P7I 0.9180
275 BMD 0.9180
276 A1U 0.9180
277 MMZ 0.9179
278 2AC 0.9179
279 2MP 0.9179
280 JZ5 0.9178
281 2YU 0.9177
282 1PT 0.9177
283 26D 0.9176
284 286 0.9174
285 CYT 0.9174
286 R8A 0.9172
287 4CL 0.9171
288 34A 0.9171
289 DMV 0.9171
290 PZA 0.9170
291 FJO 0.9170
292 CYH 0.9170
293 7VD 0.9168
294 DTL 0.9165
295 XIX 0.9164
296 GOL 0.9163
297 NBZ 0.9163
298 TM7 0.9161
299 265 0.9159
300 I2M 0.9159
301 RCO 0.9157
302 HT4 0.9157
303 51F 0.9157
304 XPO 0.9155
305 POA 0.9154
306 TZE 0.9153
307 MWM 0.9151
308 LNO 0.9151
309 NTN 0.9150
310 MET 0.9150
311 4ZE 0.9150
312 PAV 0.9149
313 ADE 0.9149
314 6PC 0.9149
315 0MK 0.9149
316 PYC 0.9148
317 1MR 0.9147
318 HYP 0.9146
319 S0H 0.9144
320 QOS 0.9143
321 JZ2 0.9143
322 BUA 0.9142
323 ODV 0.9142
324 JBE 0.9142
325 AHB 0.9141
326 AMC 0.9141
327 BAL 0.9139
328 KYD 0.9139
329 JAB 0.9139
330 MZG 0.9138
331 4JJ 0.9138
332 AMT 0.9137
333 SNE 0.9136
334 R1X 0.9136
335 R2B 0.9136
336 2CH 0.9136
337 27Y 0.9135
338 3OH 0.9133
339 TAR 0.9132
340 BR9 0.9132
341 RIP 0.9132
342 H3M 0.9131
343 MRZ 0.9129
344 LG3 0.9127
345 3CH 0.9127
346 EDG 0.9126
347 VGL 0.9126
348 RUU 0.9125
349 92Z 0.9124
350 2HA 0.9124
351 2RH 0.9124
352 2DR 0.9122
353 AG2 0.9120
354 8EZ 0.9120
355 284 0.9120
356 HTS 0.9118
357 BU4 0.9116
358 JKE 0.9116
359 BTL 0.9115
360 SGL 0.9114
361 IUR 0.9113
362 6MP 0.9113
363 8LG 0.9113
364 7CZ 0.9111
365 HPA 0.9111
366 XYS 0.9111
367 PAF 0.9109
368 MWJ 0.9108
369 3U4 0.9106
370 3GR 0.9106
371 JZ1 0.9105
372 QSC 0.9104
373 DFU 0.9104
374 4SV 0.9103
375 TMH 0.9103
376 938 0.9101
377 FUC 0.9101
378 OXE 0.9100
379 LG5 0.9100
380 BVF 0.9099
381 1AB 0.9099
382 23A 0.9098
383 PRI 0.9098
384 34V 0.9096
385 FPI 0.9095
386 SRT 0.9095
387 MEU 0.9094
388 IDH 0.9094
389 1AN 0.9093
390 ICF 0.9093
391 1DU 0.9092
392 8GF 0.9092
393 IFM 0.9091
394 9DA 0.9090
395 B24 0.9090
396 4CS 0.9089
397 IHG 0.9088
398 93Q 0.9087
399 HGQ 0.9086
400 6X8 0.9085
401 IT2 0.9085
402 Z6J 0.9083
403 VX 0.9081
404 PYJ 0.9079
405 ICN 0.9078
406 AHR 0.9077
407 DTU 0.9077
408 PGA 0.9077
409 ARA 0.9077
410 94N 0.9076
411 ES6 0.9075
412 L89 0.9074
413 XAP 0.9074
414 LXC 0.9071
415 M58 0.9071
416 IMR 0.9071
417 2AS 0.9069
418 TAU 0.9068
419 TLA 0.9067
420 BUQ 0.9066
421 VNJ 0.9066
422 O7U 0.9065
423 1WD 0.9065
424 9HX 0.9063
425 AOA 0.9063
426 2AF 0.9061
427 PBE 0.9060
428 32O 0.9059
429 FP2 0.9059
430 YTB 0.9058
431 KMT 0.9058
432 DCL 0.9058
433 9X6 0.9057
434 MZW 0.9054
435 3MT 0.9053
436 BTE 0.9051
437 SEJ 0.9049
438 HSL 0.9047
439 7HP 0.9046
440 SS1 0.9046
441 HBA 0.9045
442 KPL 0.9043
443 3SK 0.9043
444 BUB 0.9042
445 CIG 0.9040
446 AC0 0.9040
447 TB6 0.9038
448 0V5 0.9038
449 285 0.9037
450 PBC 0.9037
451 40E 0.9034
452 HVQ 0.9032
453 FMS 0.9032
454 PM6 0.9031
455 HEW 0.9030
456 4AX 0.9030
457 NEQ 0.9030
458 76X 0.9029
459 ES4 0.9028
460 H76 0.9028
461 3SY 0.9028
462 3XX 0.9027
463 4MZ 0.9026
464 TLD 0.9025
465 UNU 0.9023
466 SC2 0.9020
467 NCM 0.9020
468 FCA 0.9016
469 4H2 0.9015
470 5MP 0.9013
471 SAR 0.9013
472 UYA 0.9009
473 B3R 0.9008
474 IP0 0.9006
475 7WV 0.9004
476 1MZ 0.9002
477 10L 0.9001
478 7WA 0.9001
479 OXM 0.9001
480 OXL 0.9000
481 2OP 0.9000
482 DTI 0.9000
483 MMU 0.9000
484 JZ0 0.8998
485 ITU 0.8997
486 MR3 0.8996
487 M6W 0.8996
488 64K 0.8995
489 9EW 0.8994
490 PYR 0.8994
491 F81 0.8993
492 2MZ 0.8992
493 FPK 0.8992
494 YAN 0.8990
495 1LN 0.8990
496 1DQ 0.8990
497 M3T 0.8985
498 Y8I 0.8984
499 SS2 0.8983
500 D2P 0.8983
501 COM 0.8982
502 DTT 0.8981
503 HHQ 0.8981
504 HOW 0.8980
505 PPV 0.8978
506 BAQ 0.8977
507 HIO 0.8975
508 NAK 0.8975
509 BE7 0.8975
510 AZF 0.8972
511 BP9 0.8971
512 ATQ 0.8971
513 6HQ 0.8971
514 BXO 0.8966
515 2AI 0.8966
516 JZ6 0.8964
517 OEM 0.8964
518 ETM 0.8960
519 PHB 0.8959
520 OXD 0.8957
521 P3K 0.8957
522 OPE 0.8956
523 6JN 0.8955
524 3TR 0.8954
525 LAC 0.8954
526 5KX 0.8953
527 FUB 0.8952
528 OXZ 0.8952
529 2XX 0.8951
530 JZ7 0.8951
531 BZX 0.8949
532 RIB 0.8949
533 ETF 0.8945
534 2EZ 0.8945
535 5MI 0.8945
536 2K4 0.8945
537 PEP 0.8944
538 HLR 0.8942
539 URP 0.8939
540 F60 0.8938
541 6AI 0.8935
542 6M4 0.8935
543 ALQ 0.8935
544 DPF 0.8933
545 HBR 0.8932
546 4VP 0.8932
547 BNS 0.8931
548 3BB 0.8927
549 6SP 0.8927
550 14O 0.8925
551 MSE 0.8924
552 PPR 0.8924
553 F05 0.8923
554 1CB 0.8921
555 FAC 0.8921
556 5H1 0.8920
557 FUF 0.8920
558 6UA 0.8914
559 11S 0.8914
560 PAH 0.8912
561 8H8 0.8911
562 BYZ 0.8910
563 UY7 0.8910
564 FBA 0.8908
565 MTG 0.8907
566 XBT 0.8906
567 9SB 0.8906
568 QUZ 0.8905
569 CXF 0.8905
570 TZL 0.8901
571 ZBT 0.8901
572 4SD 0.8899
573 MNM 0.8897
574 5MB 0.8894
575 HSM 0.8894
576 T6C 0.8892
577 H8N 0.8890
578 GLU 0.8889
579 2CK 0.8883
580 M1A 0.8881
581 DMI 0.8880
582 JIF 0.8880
583 KSW 0.8877
584 ES3 0.8876
585 BP1 0.8876
586 SVN 0.8875
587 BDR 0.8875
588 54D 0.8875
589 BUO 0.8874
590 ABV 0.8873
591 RAM 0.8872
592 7MH 0.8869
593 GBL 0.8864
594 FYU 0.8862
595 8FH 0.8861
596 270 0.8859
597 AX7 0.8859
598 NPY 0.8859
599 ES9 0.8856
600 DYA 0.8856
601 0RW 0.8855
602 SPV 0.8853
603 1P3 0.8853
604 PUT 0.8853
605 HMU 0.8852
606 DFB 0.8851
607 MED 0.8851
608 KOJ 0.8851
609 BSX 0.8850
610 FSG 0.8850
611 AX2 0.8849
612 HBS 0.8849
613 NSP 0.8847
614 14J 0.8846
615 XM0 0.8846
616 L3Q 0.8846
617 POP 0.8844
618 7N0 0.8840
619 3V4 0.8839
620 SVJ 0.8838
621 OHG 0.8838
622 4XR 0.8836
623 PZI 0.8835
624 NOY 0.8834
625 B20 0.8834
626 G6D 0.8832
627 HMH 0.8832
628 2MI 0.8831
629 ABE 0.8831
630 AGK 0.8831
631 URQ 0.8831
632 260 0.8829
633 HLT 0.8828
634 13X 0.8828
635 MFB 0.8822
636 LCN 0.8821
637 PYZ 0.8821
638 IFL 0.8821
639 PYM 0.8816
640 2ZX 0.8815
641 H4N 0.8814
642 FAN 0.8813
643 TFS 0.8812
644 NOJ 0.8810
645 TBP 0.8810
646 HSW 0.8808
647 XXR 0.8807
648 5Y9 0.8807
649 3ZS 0.8806
650 FK1 0.8805
651 2ZV 0.8804
652 NPO 0.8798
653 MYQ 0.8797
654 BHO 0.8797
655 3AY 0.8796
656 24B 0.8796
657 TF4 0.8795
658 C2A 0.8790
659 ZZT 0.8790
660 4JM 0.8790
661 ASO 0.8789
662 67N 0.8788
663 6M9 0.8787
664 TH7 0.8787
665 SLP 0.8787
666 AUD 0.8786
667 PTO 0.8785
668 TZZ 0.8785
669 BR8 0.8785
670 G2F 0.8784
671 FQI 0.8779
672 RP7 0.8779
673 4JL 0.8778
674 8NY 0.8774
675 GRE 0.8773
676 LRH 0.8772
677 OK7 0.8771
678 MLE 0.8770
679 GUN 0.8769
680 WDL 0.8769
681 GIF 0.8768
682 2TQ 0.8768
683 EXO 0.8767
684 MMQ 0.8767
685 C2B 0.8764
686 GLN 0.8764
687 6F0 0.8763
688 Z82 0.8755
689 NIS 0.8755
690 RHU 0.8755
691 9DG 0.8751
692 13P 0.8749
693 HY1 0.8744
694 4PW 0.8740
695 GYE 0.8734
696 GOO 0.8733
697 ISU 0.8733
698 RNS 0.8732
699 PIS 0.8727
700 EFS 0.8726
701 9J3 0.8723
702 VSO 0.8723
703 FEH 0.8721
704 XRG 0.8721
705 2PN 0.8716
706 1Y8 0.8716
707 DGL 0.8715
708 3AB 0.8712
709 GLY GLY 0.8708
710 3HB 0.8705
711 SWD 0.8704
712 MSF 0.8703
713 3NT 0.8702
714 25W 0.8702
715 DMJ 0.8700
716 EGD 0.8699
717 1LQ 0.8697
718 DZZ 0.8697
719 MXN 0.8693
720 FA0 0.8692
721 IF7 0.8692
722 AZA 0.8692
723 GAB 0.8692
724 XAN 0.8691
725 7B4 0.8691
726 B53 0.8687
727 47J 0.8684
728 TNE 0.8683
729 GLC 0.8680
730 6M1 0.8679
731 5NU 0.8678
732 GLL 0.8677
733 271 0.8675
734 MSN 0.8675
735 911 0.8674
736 1Y6 0.8673
737 OVV 0.8669
738 1WG 0.8666
739 RSO 0.8664
740 CFI 0.8663
741 PEA 0.8663
742 PAB 0.8663
743 2BN 0.8656
744 5CU 0.8655
745 Q88 0.8655
746 ARW 0.8653
747 HH5 0.8650
748 ISZ 0.8649
749 53C 0.8646
750 2CQ 0.8645
751 3M0 0.8643
752 3DM 0.8642
753 HX3 0.8642
754 JZ4 0.8642
755 PEL 0.8626
756 3HA 0.8625
757 CNL 0.8622
758 DBH 0.8621
759 4MA 0.8618
760 3F0 0.8617
761 G4D 0.8612
762 SYG 0.8611
763 3BZ 0.8610
764 T9G 0.8609
765 CAE 0.8600
766 CEE 0.8600
767 5RG 0.8600
768 GIO 0.8600
769 P72 0.8599
770 ACH 0.8598
771 717 0.8597
772 3DY 0.8596
773 FB1 0.8596
774 2LP 0.8595
775 K6H 0.8593
776 DOB 0.8593
777 MNN 0.8590
778 HBD 0.8589
779 N8P 0.8589
780 3RK 0.8586
781 TAN 0.8584
782 4M0 0.8581
783 PBZ 0.8581
784 MAN 0.8579
785 FBV 0.8575
786 3OC 0.8563
787 7WG 0.8563
788 24W 0.8547
789 AKG 0.8547
790 PMB 0.8543
791 3Z7 0.8539
792 DGJ 0.8533
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6MFX; Ligand: APC; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 6mfx.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 6AKD A5A 42.3792
Pocket No.: 2; Query (leader) PDB : 6MFX; Ligand: VAL; 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: 6mfx.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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