Receptor
PDB id Resolution Class Description Source Keywords
6MFW 2.5 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF A 4-DOMAIN CONSTRUCT OF LGRA IN THE SUB 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
PO4 A:1305;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
VAL A:1304;
 Valid;
 none;
 submit data
117.146 C5 H11 N O2 CC(C)...
FON A:1302;
 Valid;
 none;
 submit data
473.439 C20 H23 N7 O7 c1cc(...
APC MG A:1303;
 Valid;
 none;
 submit data
525.483 n/a P(=O)...
MG A:1306;
 Invalid;
 none;
 submit data
24.305 Mg [Mg+2...
JQG A:1301;
 Invalid;
 none;
 submit data
467.431 C17 H32 N4 O9 P 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: 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
Ligand no: 2; Ligand: FON; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 FON 1 1
2 FFO 0.683168 1
3 TLL 0.663551 0.931507
4 C2F 0.550459 0.957747
5 THF 0.536364 0.943662
6 MHF 0.535714 0.881579
7 DHF 0.523364 0.926471
8 THG 0.518182 0.926471
9 1YJ 0.518182 0.926471
10 THH 0.486726 0.8
11 21V 0.469027 0.847222
12 DDF 0.469027 0.847222
13 FGD 0.463636 0.785714
14 GUE 0.461538 0.917808
15 DZF 0.447368 0.788732
16 FOL 0.447368 0.802817
17 TMF 0.428571 0.866667
18 9L9 0.420561 0.855072
19 LYA 0.415929 0.72973
20 MEF 0.413223 0.881579
21 1YA 0.413223 0.970588
22 83A 0.40678 0.77027
Ligand no: 3; Ligand: APC MG ; Similar ligands found: 352
No: Ligand ECFP6 Tc MDL keys Tc
1 APC MG 1 1
2 AMP MG 0.756757 0.957143
3 ADP BEF 0.74359 0.971429
4 ADP MG 0.74359 0.971429
5 A 0.72 0.916667
6 AMP 0.72 0.916667
7 BA3 0.717949 0.917808
8 A2D 0.714286 0.917808
9 B4P 0.708861 0.917808
10 ADP 0.708861 0.917808
11 AP5 0.708861 0.917808
12 ADP PO3 0.707317 0.971429
13 ATP MG 0.707317 0.971429
14 A12 0.696203 0.932432
15 AP2 0.696203 0.932432
16 45A 0.692308 0.891892
17 ABM 0.692308 0.891892
18 ATP 0.682927 0.917808
19 ACP 0.682927 0.918919
20 HEJ 0.682927 0.917808
21 AN2 0.679012 0.905405
22 AT4 0.679012 0.881579
23 BEF ADP 0.678571 0.944444
24 APC 0.674699 0.932432
25 AQP 0.674699 0.917808
26 5FA 0.674699 0.917808
27 VO4 ADP 0.674419 0.918919
28 M33 0.670732 0.905405
29 ADX 0.670732 0.82716
30 ACQ 0.670588 0.918919
31 SRA 0.666667 0.868421
32 AGS 0.666667 0.87013
33 ANP MG 0.655172 0.931507
34 ALF ADP 0.655172 0.894737
35 APR 0.654762 0.917808
36 AR6 0.654762 0.917808
37 GAP 0.651163 0.918919
38 CA0 0.650602 0.893333
39 AU1 0.650602 0.893333
40 6YZ 0.647727 0.918919
41 RBY 0.647059 0.932432
42 AD9 0.647059 0.893333
43 ADV 0.647059 0.932432
44 KG4 0.642857 0.893333
45 50T 0.642857 0.88
46 PRX 0.635294 0.868421
47 ANP 0.632184 0.893333
48 T99 0.632184 0.881579
49 TAT 0.632184 0.881579
50 ATF 0.617977 0.881579
51 DAL AMP 0.615385 0.931507
52 LMS 0.6125 0.804878
53 OZV 0.608696 0.917808
54 V2G 0.606742 0.848101
55 5AL 0.606742 0.905405
56 8LE 0.606742 0.87013
57 ADP BMA 0.606383 0.918919
58 HQG 0.604396 0.905405
59 A3R 0.602151 0.883117
60 SON 0.6 0.906667
61 MAP 0.597826 0.87013
62 A22 0.597826 0.905405
63 8LH 0.593407 0.881579
64 SRP 0.593407 0.881579
65 ATP A A A 0.591837 0.957747
66 ATP A 0.591837 0.957747
67 OOB 0.591398 0.905405
68 MYR AMP 0.587629 0.8625
69 A1R 0.585106 0.883117
70 ADQ 0.585106 0.893333
71 4AD 0.585106 0.894737
72 RAB 0.581081 0.819444
73 XYA 0.581081 0.819444
74 ADN 0.581081 0.819444
75 QA7 0.580645 0.87013
76 8LQ 0.580645 0.881579
77 JNT 0.578947 0.893333
78 00A 0.578947 0.858974
79 AOC 0.578313 0.821918
80 25A 0.574468 0.917808
81 8QN 0.574468 0.905405
82 9ZA 0.574468 0.858974
83 9ZD 0.574468 0.858974
84 5SV 0.574468 0.848101
85 OAD 0.572917 0.893333
86 9X8 0.572917 0.87013
87 AHZ 0.572816 0.839506
88 25L 0.571429 0.905405
89 5AS 0.569767 0.758621
90 M2T 0.56962 0.75641
91 AR6 AR6 0.568627 0.944444
92 AMO 0.568421 0.881579
93 PAJ 0.568421 0.8375
94 H1Q 0.568182 0.90411
95 WAQ 0.56701 0.883117
96 5N5 0.565789 0.794521
97 DLL 0.5625 0.905405
98 AHX 0.5625 0.848101
99 3OD 0.561224 0.893333
100 BIS 0.561224 0.858974
101 NB8 0.561224 0.848101
102 1ZZ 0.561224 0.839506
103 5CD 0.558442 0.805556
104 A4D 0.558442 0.794521
105 3UK 0.556701 0.893333
106 GA7 0.553398 0.857143
107 PR8 0.55102 0.85
108 LAD 0.55102 0.860759
109 B5V 0.55102 0.881579
110 AMP DBH 0.54902 0.893333
111 JB6 0.545455 0.858974
112 PTJ 0.545455 0.848101
113 ME8 0.545455 0.817073
114 FYA 0.545455 0.88
115 TXA 0.545455 0.881579
116 KMQ 0.544554 0.881579
117 G3A 0.543689 0.848101
118 7MD 0.538462 0.817073
119 ARG AMP 0.538462 0.829268
120 G5P 0.538462 0.848101
121 LPA AMP 0.537736 0.8625
122 EP4 0.5375 0.753247
123 7D5 0.536585 0.853333
124 9SN 0.534653 0.848101
125 APC G U 0.534483 0.883117
126 TAD 0.533333 0.884615
127 GTA 0.533333 0.839506
128 UP5 0.53271 0.87013
129 G5A 0.532609 0.758621
130 DTA 0.530864 0.810811
131 3DH 0.53012 0.773333
132 B5M 0.529412 0.87013
133 FA5 0.529412 0.881579
134 B5Y 0.529412 0.87013
135 7D3 0.528736 0.855263
136 GJV 0.528736 0.75
137 AF3 ADP 3PG 0.527778 0.860759
138 ALF ADP 3PG 0.527778 0.860759
139 MTA 0.52439 0.773333
140 XAH 0.524272 0.839506
141 AFH 0.52381 0.8375
142 NAD TDB 0.522936 0.944444
143 4TC 0.522936 0.871795
144 NAD IBO 0.522936 0.944444
145 A3P 0.522727 0.916667
146 7D4 0.522222 0.855263
147 PAP 0.521739 0.90411
148 4UV 0.519231 0.87013
149 DQV 0.518868 0.905405
150 NAX 0.518519 0.82716
151 O02 0.516129 0.896104
152 A5A 0.515789 0.785714
153 TSB 0.515464 0.776471
154 8X1 0.515464 0.733333
155 LAQ 0.514019 0.839506
156 OMR 0.513761 0.829268
157 F2R 0.513274 0.797619
158 6RE 0.511628 0.759494
159 S4M 0.511364 0.705882
160 2A5 0.51087 0.844156
161 SSA 0.510417 0.758621
162 4UU 0.509434 0.87013
163 48N 0.509259 0.848101
164 7MC 0.509091 0.797619
165 T5A 0.508929 0.819277
166 AMP NAD 0.508772 0.931507
167 4TA 0.508772 0.851852
168 3AM 0.505882 0.876712
169 A2P 0.505618 0.902778
170 ITT 0.505495 0.864865
171 ATR 0.505376 0.890411
172 VMS 0.505155 0.767442
173 52H 0.505155 0.758621
174 54H 0.505155 0.767442
175 P5A 0.504951 0.744444
176 DND 0.504587 0.906667
177 6V0 0.504587 0.848101
178 TXD 0.504587 0.858974
179 NAI 0.504587 0.858974
180 A4P 0.504505 0.77907
181 ZAS 0.5 0.789474
182 NWW 0.5 0.736111
183 J7C 0.5 0.746835
184 5CA 0.5 0.758621
185 TXE 0.5 0.858974
186 IMO 0.5 0.876712
187 53H 0.5 0.758621
188 A3N 0.5 0.763158
189 NAD 0.495652 0.931507
190 ADJ 0.495575 0.829268
191 AP0 0.495495 0.848101
192 L3W 0.495495 0.881579
193 YLP 0.495413 0.819277
194 PO4 PO4 A A A A PO4 0.49505 0.929577
195 LEU LMS 0.49505 0.75
196 DZD 0.491379 0.884615
197 CNA 0.491228 0.906667
198 4UW 0.490909 0.8375
199 NSS 0.49 0.77907
200 LSS 0.49 0.741573
201 DSZ 0.49 0.758621
202 PPS 0.489583 0.804878
203 MAO 0.488889 0.759036
204 DSH 0.488636 0.746835
205 A3D 0.487179 0.918919
206 TYM 0.486486 0.881579
207 9K8 0.485437 0.714286
208 NVA LMS 0.485149 0.752809
209 AV2 0.484536 0.842105
210 JSQ 0.484211 0.87013
211 HFD 0.484211 0.87013
212 5X8 0.483871 0.763158
213 SFG 0.483871 0.773333
214 D4F 0.483333 0.817073
215 NAJ PZO 0.483051 0.871795
216 139 0.482456 0.85
217 UPA 0.482143 0.858974
218 YLB 0.482143 0.819277
219 YLC 0.482143 0.839506
220 B1U 0.481132 0.736264
221 NAJ PYZ 0.479339 0.829268
222 V3L 0.479167 0.917808
223 SAM 0.479167 0.731707
224 6MZ 0.477778 0.878378
225 2AM 0.476744 0.864865
226 KAA 0.475728 0.752809
227 GSU 0.475728 0.758621
228 M24 0.475 0.82716
229 A2R 0.474747 0.905405
230 5AD 0.474359 0.746479
231 6AD 0.474227 0.8375
232 IOT 0.473684 0.809524
233 7C5 0.472222 0.794872
234 Z5A 0.471545 0.821429
235 NAE 0.471074 0.894737
236 COD 0.470085 0.790698
237 YLA 0.469565 0.819277
238 YSA 0.46729 0.758621
239 NAQ 0.467213 0.871795
240 BT5 0.466102 0.809524
241 AYB 0.465517 0.809524
242 SMM 0.464646 0.72619
243 ZID 0.463415 0.918919
244 A7D 0.462366 0.8
245 80F 0.462185 0.797619
246 OVE 0.460674 0.831169
247 WSA 0.460177 0.767442
248 AAT 0.459184 0.728395
249 SA8 0.458333 0.728395
250 K3K 0.457944 0.779221
251 8PZ 0.457944 0.758621
252 BTX 0.457627 0.819277
253 MHZ 0.457447 0.697674
254 71V 0.456522 0.835443
255 K2H 0.456311 0.734177
256 A3G 0.455556 0.776316
257 NEC 0.455556 0.723684
258 SAH 0.453608 0.766234
259 SAI 0.453608 0.75641
260 CUU 0.452632 0.891892
261 Y3J 0.451219 0.726027
262 GEK 0.45098 0.782051
263 7D7 0.45 0.767123
264 V47 0.45 0.783784
265 S7M 0.45 0.731707
266 K3E 0.449541 0.769231
267 3AT 0.44898 0.891892
268 NO7 0.445545 0.857143
269 EEM 0.444444 0.731707
270 A5D 0.443299 0.810811
271 NWQ 0.443182 0.716216
272 NDE 0.44186 0.906667
273 38V 0.44 0.8625
274 N0B 0.44 0.819277
275 N5O 0.43956 0.74026
276 YLY 0.439024 0.809524
277 6C6 0.438776 0.857143
278 NIA 0.438202 0.8
279 A6D 0.438095 0.765432
280 NA7 0.438095 0.906667
281 DAT 0.4375 0.855263
282 4YB 0.4375 0.741573
283 QXP 0.436893 0.724138
284 AVV 0.436893 0.871795
285 NDC 0.435115 0.896104
286 649 0.434783 0.744444
287 PLP AAD 0.434426 0.772727
288 6IA 0.434343 0.792683
289 DTP 0.434343 0.855263
290 J4G 0.433962 0.87013
291 K2K 0.433962 0.7375
292 EAD 0.433071 0.82716
293 0UM 0.432692 0.719512
294 AMZ 0.431818 0.84
295 C2R 0.431818 0.828947
296 A3S 0.431579 0.786667
297 8Q2 0.431034 0.733333
298 N5A 0.430108 0.714286
299 O05 0.429907 0.843373
300 KOY 0.429825 0.802632
301 ARU 0.428571 0.792683
302 GGZ 0.427184 0.780488
303 PGS 0.427083 0.835443
304 2SA 0.425743 0.857143
305 QXG 0.424528 0.715909
306 D5M 0.423913 0.853333
307 DA 0.423913 0.853333
308 6K6 0.423077 0.878378
309 SLU 0.422764 0.75
310 A3T 0.42268 0.797297
311 R2V 0.420561 0.724138
312 P1H 0.419847 0.807229
313 7RA 0.419355 0.90411
314 AAM 0.419355 0.916667
315 RGT 0.418182 0.881579
316 62X 0.415094 0.686047
317 EO7 0.414894 0.767442
318 K3H 0.414414 0.728395
319 LQJ 0.414414 0.891892
320 128 0.413793 0.735632
321 EU9 0.413793 0.724138
322 FB0 0.413534 0.784091
323 KY2 0.413462 0.731707
324 NAD BBN 0.413043 0.819277
325 TM1 0.412844 0.752941
326 3AD 0.411765 0.805556
327 N01 0.41129 0.931507
328 K15 0.411215 0.702381
329 V1N 0.410714 0.891892
330 NMN AMP PO4 0.409836 0.894737
331 S8M 0.409524 0.759494
332 K38 0.409091 0.75641
333 SFD 0.408759 0.697917
334 FDA 0.407407 0.770115
335 62F 0.407143 0.817073
336 NAD CJ3 0.407143 0.790698
337 AIR 0.406977 0.849315
338 NX8 0.405941 0.716049
339 DDS 0.405941 0.828947
340 KYB 0.40566 0.731707
341 KL2 0.404494 0.789474
342 6FA 0.404412 0.797619
343 SXZ 0.40367 0.731707
344 FAD NBT 0.402778 0.731183
345 ACK 0.402174 0.835616
346 QQY 0.402174 0.792208
347 7DD 0.402062 0.90411
348 N6P 0.401869 0.863014
349 K2W 0.401786 0.740741
350 NJP 0.401639 0.894737
351 KB1 0.4 0.719512
352 8BR 0.4 0.857143
Similar Ligands (3D)
Ligand no: 1; 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
Ligand no: 2; Ligand: FON; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 3; Ligand: APC MG ; Similar ligands found: 0
No: Ligand Similarity coefficient
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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