Receptor
PDB id Resolution Class Description Source Keywords
3JZ0 2 Å EC: 2.-.-.- LINB COMPLEXED WITH CLINDAMYCIN AND AMPCPP ENTEROCOCCUS FAECIUM ALPHA-BETA STRUCTURE TRANSFERASE TRANSFERASE-ANTIBIOTIC CO
Ref.: STRUCTURE AND MECHANISM OF THE LINCOSAMIDE ANTIBIOT ADENYLYLTRANSFERASE LINB. STRUCTURE V. 17 1649 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
APC A:738;
B:738;
Valid;
Valid;
none;
none;
submit data
505.208 C11 H18 N5 O12 P3 c1nc(...
CLY A:900;
B:900;
Valid;
Valid;
none;
none;
submit data
424.983 C18 H33 Cl N2 O5 S CCC[C...
MG A:300;
A:303;
A:304;
B:301;
B:302;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3JZ0 2 Å EC: 2.-.-.- LINB COMPLEXED WITH CLINDAMYCIN AND AMPCPP ENTEROCOCCUS FAECIUM ALPHA-BETA STRUCTURE TRANSFERASE TRANSFERASE-ANTIBIOTIC CO
Ref.: STRUCTURE AND MECHANISM OF THE LINCOSAMIDE ANTIBIOT ADENYLYLTRANSFERASE LINB. STRUCTURE V. 17 1649 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 3JZ0 - CLY C18 H33 Cl N2 O5 S CCC[C@@H]1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 3JZ0 - CLY C18 H33 Cl N2 O5 S CCC[C@@H]1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 3JZ0 - CLY C18 H33 Cl N2 O5 S CCC[C@@H]1....
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: CLY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CLY 1 1
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: CLY; 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 : 3JZ0; Ligand: APC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3jz0.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3JZ0; Ligand: CLY; 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: 3jz0.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3JZ0; Ligand: APC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3jz0.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3JZ0; Ligand: CLY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3jz0.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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