Receptor
PDB id Resolution Class Description Source Keywords
2W5R 1.7 Å EC: 7.-.-.- STRUCTURE-BASED MECHANISM OF LIPOTEICHOIC ACID SYNTHESIS BY STAPHYLOCOCCUS AUREUS LTAS. STAPHYLOCOCCUS AUREUS TRANSMEMBRANE CELL WALL BIOGENESIS/DEGRADATION LTAS MEMBRANE SECRETED TRANSFERASE CELL MEMBRANE
Ref.: STRUCTURE-BASED MECHANISM OF LIPOTEICHOIC ACID SYNTHESIS BY STAPHYLOCOCCUS AUREUS LTAS. PROC.NATL.ACAD.SCI.USA V. 106 1584 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1642;
 Invalid;
 none;
 submit data
59.044 C2 H3 O2 CC(=O...
GP9 A:1644;
 Valid;
 none;
 submit data
170.058 C3 H7 O6 P C(C(C...
MN A:1643;
 Part of Protein;
 none;
 submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2W5T 1.6 Å EC: 7.-.-.- STRUCTURE-BASED MECHANISM OF LIPOTEICHOIC ACID SYNTHESIS BY STAPHYLOCOCCUS AUREUS LTAS. STAPHYLOCOCCUS AUREUS TRANSMEMBRANE GLYCEROL-PHOSPHATE CELL WALL BIOGENESIS/DEGRADATION LTAS MEMBRANE SECRETED TRANSFERASE CELL MEMBRANE
Ref.: STRUCTURE-BASED MECHANISM OF LIPOTEICHOIC ACID SYNTHESIS BY STAPHYLOCOCCUS AUREUS LTAS. PROC.NATL.ACAD.SCI.USA V. 106 1584 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 2W5T - GP9 C3 H7 O6 P C(C(COP(=O....
2 2W5R - GP9 C3 H7 O6 P C(C(COP(=O....
3 2W5S - GP9 C3 H7 O6 P C(C(COP(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 2W5T - GP9 C3 H7 O6 P C(C(COP(=O....
2 2W5R - GP9 C3 H7 O6 P C(C(COP(=O....
3 2W5S - GP9 C3 H7 O6 P C(C(COP(=O....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 2W5T - GP9 C3 H7 O6 P C(C(COP(=O....
2 2W5R - GP9 C3 H7 O6 P C(C(COP(=O....
3 2W5S - GP9 C3 H7 O6 P C(C(COP(=O....
4 4UOR - GP9 C3 H7 O6 P C(C(COP(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GP9; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GP9 1 1
2 G3P 0.551724 0.90625
3 1GP 0.551724 0.90625
4 GPE 0.421053 0.707317
Similar Ligands (3D)
Ligand no: 1; Ligand: GP9; Similar ligands found: 589
No: Ligand Similarity coefficient
1 PGH 1.0000
2 13P 0.9939
3 G3H 0.9895
4 LTL 0.9865
5 PSE 0.9834
6 129 0.9790
7 CYX 0.9725
8 PGA 0.9725
9 3PG 0.9674
10 OSE 0.9605
11 SEP 0.9581
12 1SA 0.9536
13 HG3 0.9526
14 CCE 0.9511
15 PEP 0.9503
16 PMB 0.9501
17 1SH 0.9500
18 X1S 0.9496
19 FB2 0.9491
20 GLU 0.9435
21 4LR 0.9432
22 LLQ 0.9424
23 GLY GLY 0.9420
24 CCD 0.9417
25 3PP 0.9416
26 PAH 0.9416
27 TSU 0.9412
28 HPV 0.9405
29 8K2 0.9400
30 SPV 0.9396
31 GPJ 0.9393
32 PPR 0.9389
33 3SL 0.9378
34 N6C 0.9376
35 AT3 0.9369
36 HPN 0.9368
37 AMS 0.9365
38 NM3 0.9365
39 GPF 0.9363
40 4J8 0.9360
41 0V5 0.9354
42 EHM 0.9340
43 DS0 0.9330
44 GZ3 0.9317
45 G2H 0.9315
46 SAN 0.9310
47 OKG 0.9308
48 51R 0.9303
49 XCZ 0.9293
50 GLN 0.9289
51 IP8 0.9285
52 FBW 0.9282
53 SIN 0.9277
54 LMR 0.9275
55 AKG 0.9265
56 FBS 0.9262
57 OGA 0.9261
58 FUM 0.9258
59 CHH 0.9257
60 MEQ 0.9257
61 MUC 0.9252
62 7OD 0.9250
63 2PG 0.9250
64 ACH 0.9237
65 3S5 0.9234
66 MSL 0.9233
67 A13 0.9231
68 7BC 0.9229
69 R67 0.9228
70 9GB 0.9222
71 1X4 0.9221
72 ROR 0.9216
73 NM2 0.9210
74 1DV 0.9210
75 PMF 0.9208
76 RTK 0.9206
77 QMP 0.9202
78 2HG 0.9200
79 PEQ 0.9197
80 4MV 0.9194
81 TPO 0.9191
82 MJ2 0.9188
83 AAS 0.9188
84 HBU 0.9188
85 NF3 0.9187
86 OPE 0.9187
87 2IT 0.9184
88 9ON 0.9181
89 K5W 0.9180
90 HIS 0.9180
91 449 0.9179
92 GUA 0.9179
93 HX2 0.9177
94 KVV 0.9176
95 HPS 0.9173
96 HGA 0.9166
97 MHN 0.9160
98 E4P 0.9158
99 URP 0.9151
100 Q9Z 0.9144
101 HMS 0.9144
102 AL0 0.9142
103 PSJ 0.9135
104 EDR 0.9134
105 ASP 0.9130
106 DGL 0.9127
107 M4S 0.9126
108 SD4 0.9125
109 PLU 0.9117
110 152 0.9116
111 RNS 0.9113
112 TLA 0.9108
113 PC 0.9106
114 HL5 0.9102
115 7N0 0.9101
116 FBV 0.9100
117 5XA 0.9100
118 3LR 0.9098
119 HSO 0.9097
120 LEU 0.9094
121 FBU 0.9094
122 DIR 0.9092
123 EOU 0.9091
124 SHF 0.9091
125 A09 0.9091
126 BHH 0.9083
127 9J3 0.9083
128 SRT 0.9081
129 GGL 0.9080
130 SME 0.9078
131 S2G 0.9077
132 DLY 0.9074
133 DE5 0.9071
134 A20 0.9070
135 XUL 0.9065
136 ONL 0.9064
137 DQY 0.9062
138 OAA 0.9061
139 LNO 0.9060
140 RBL 0.9059
141 LYN 0.9057
142 FCR 0.9056
143 KMH 0.9055
144 GVM 0.9054
145 SHV 0.9052
146 OEG 0.9052
147 KVP 0.9051
148 6OT 0.9044
149 NMG 0.9043
150 TAR 0.9043
151 H95 0.9040
152 FB1 0.9037
153 HDA 0.9036
154 3OL 0.9035
155 J9N 0.9034
156 ILE 0.9031
157 KBZ 0.9030
158 FOC 0.9028
159 MHO 0.9025
160 COI 0.9024
161 XLS 0.9023
162 IXW 0.9020
163 LYS 0.9019
164 K6V 0.9018
165 9X6 0.9018
166 BNS 0.9014
167 B40 0.9011
168 SDD 0.9007
169 K6H 0.9004
170 GWM 0.9004
171 B85 0.9003
172 GLY ALA 0.9003
173 PZI 0.9001
174 3OM 0.8998
175 AG2 0.8997
176 DAV 0.8997
177 SYC 0.8997
178 DGN 0.8996
179 LUQ 0.8995
180 KPC 0.8994
181 4CS 0.8992
182 THE 0.8992
183 XSP 0.8990
184 PBC 0.8989
185 OVV 0.8989
186 BEZ 0.8989
187 MLT 0.8988
188 RNT 0.8987
189 UN1 0.8986
190 RSO 0.8985
191 PCA 0.8985
192 FEH 0.8983
193 40E 0.8981
194 5FX 0.8980
195 URO 0.8979
196 TIH 0.8978
197 EKZ 0.8978
198 PG0 0.8975
199 HTX 0.8974
200 PHB 0.8972
201 2RH 0.8971
202 GLO 0.8970
203 3FH 0.8969
204 4FH 0.8968
205 3OC 0.8968
206 NPO 0.8967
207 MPH 0.8966
208 X0V 0.8966
209 DHI 0.8964
210 SYM 0.8964
211 SVD 0.8963
212 XYL 0.8962
213 6PC 0.8962
214 P22 0.8959
215 GAB 0.8959
216 3HB 0.8956
217 PAC 0.8955
218 3NT 0.8955
219 2CO 0.8955
220 TEO 0.8954
221 FOM 0.8954
222 PAB 0.8951
223 6NA 0.8949
224 DYT 0.8949
225 ISZ 0.8947
226 MTL 0.8947
227 QY9 0.8944
228 SMN 0.8944
229 53C 0.8942
230 HHI 0.8942
231 MES 0.8942
232 VKC 0.8942
233 4JC 0.8941
234 CFI 0.8940
235 1DQ 0.8940
236 FQI 0.8939
237 AC6 0.8939
238 ZGL 0.8938
239 98J 0.8938
240 JYD 0.8937
241 NLP 0.8936
242 11C 0.8936
243 7WG 0.8929
244 CMS 0.8927
245 4SX 0.8926
246 BHO 0.8926
247 3BU 0.8925
248 TYL 0.8924
249 S8V 0.8922
250 FSG 0.8921
251 GOJ 0.8920
252 PO6 0.8919
253 K34 0.8919
254 ORO 0.8917
255 NSB 0.8916
256 1FD 0.8914
257 2AS 0.8913
258 MZT 0.8913
259 DHM 0.8912
260 3AB 0.8911
261 NIZ 0.8906
262 AEG 0.8906
263 SOL 0.8906
264 7C3 0.8905
265 DAL DAL 0.8905
266 YRL 0.8905
267 1P3 0.8903
268 RB0 0.8903
269 RB5 0.8903
270 CCU 0.8903
271 SHO 0.8903
272 3YP 0.8902
273 ASN 0.8901
274 TZL 0.8901
275 OTR 0.8900
276 SOR 0.8897
277 R2P 0.8896
278 0VT 0.8895
279 CRN 0.8893
280 DEZ 0.8891
281 ICF 0.8891
282 CXF 0.8889
283 HYA 0.8889
284 MET 0.8889
285 GJZ 0.8889
286 ALA ALA 0.8888
287 SPA 0.8888
288 FAN 0.8888
289 NLE 0.8887
290 KTA 0.8887
291 R9M 0.8885
292 MDN 0.8884
293 DOR 0.8884
294 DZA 0.8884
295 K7M 0.8884
296 2FT 0.8882
297 HBD 0.8882
298 0OC 0.8880
299 SS2 0.8879
300 FBJ 0.8877
301 NCA 0.8876
302 O45 0.8875
303 NIO 0.8872
304 KDG 0.8872
305 RUJ 0.8871
306 CP 0.8871
307 3HG 0.8870
308 MPD 0.8870
309 FK8 0.8869
310 XRG 0.8869
311 IZC 0.8868
312 DA4 0.8867
313 I1E 0.8866
314 PIS 0.8865
315 VGL 0.8864
316 1DJ 0.8863
317 5XB 0.8861
318 ITN 0.8860
319 2PN 0.8860
320 QSC 0.8859
321 RHU 0.8859
322 9RW 0.8857
323 DAS 0.8856
324 UGC 0.8855
325 Q07 0.8853
326 3HP 0.8853
327 ORN 0.8853
328 XBT 0.8852
329 UFV 0.8851
330 PBZ 0.8851
331 IFP 0.8851
332 URS 0.8851
333 NBZ 0.8849
334 MEV 0.8847
335 YCP 0.8846
336 SHI 0.8845
337 PHU 0.8845
338 AMH 0.8843
339 49F 0.8842
340 4MA 0.8840
341 B3U 0.8840
342 OK7 0.8839
343 1Y6 0.8839
344 OXC 0.8839
345 PG3 0.8836
346 J9T 0.8835
347 KBB 0.8833
348 4HP 0.8831
349 AHB 0.8828
350 DYA 0.8827
351 AC0 0.8827
352 1HS 0.8823
353 36E 0.8823
354 M58 0.8822
355 3BZ 0.8822
356 0L1 0.8820
357 ANN 0.8820
358 HIC 0.8818
359 PNZ 0.8814
360 8OZ 0.8814
361 TAG 0.8814
362 HHH 0.8813
363 4WL 0.8811
364 MXN 0.8810
365 RJY 0.8808
366 5HN 0.8808
367 16D 0.8807
368 8EW 0.8807
369 ACA 0.8805
370 I4B 0.8804
371 SS1 0.8804
372 D1X 0.8801
373 PEA 0.8801
374 ONH 0.8800
375 FBM 0.8800
376 MSR 0.8799
377 F9P 0.8798
378 PIM 0.8795
379 PRO 0.8795
380 14J 0.8795
381 DPN 0.8793
382 4FA 0.8790
383 S0H 0.8790
384 F4E 0.8790
385 OOG 0.8789
386 SNU 0.8788
387 BRT 0.8786
388 HIO 0.8785
389 DAR 0.8784
390 Z82 0.8783
391 TPA 0.8782
392 WCE 0.8782
393 650 0.8780
394 LFC 0.8778
395 PPV 0.8778
396 3MV 0.8776
397 OCT 0.8776
398 DXP 0.8774
399 2BX 0.8774
400 069 0.8772
401 IOM 0.8772
402 HDH 0.8771
403 4P5 0.8771
404 BPN 0.8770
405 RMN 0.8770
406 M6W 0.8769
407 TB6 0.8768
408 CXP 0.8764
409 MNN 0.8761
410 PH3 0.8761
411 EVF 0.8761
412 DBX 0.8760
413 BEN 0.8760
414 7UC 0.8760
415 268 0.8760
416 8GC 0.8759
417 7VD 0.8758
418 J0Z 0.8757
419 IHG 0.8756
420 NMJ 0.8756
421 5XC 0.8755
422 174 0.8754
423 PCT 0.8753
424 4NZ 0.8752
425 M3H 0.8751
426 4NG 0.8751
427 BAM 0.8750
428 DTY 0.8747
429 TYR 0.8747
430 HCI 0.8746
431 TZF 0.8746
432 2AL 0.8744
433 173 0.8743
434 7A8 0.8743
435 54D 0.8743
436 UNU 0.8740
437 AOS 0.8739
438 MAJ 0.8739
439 QDK 0.8739
440 2EH 0.8738
441 93K 0.8737
442 XIZ 0.8737
443 1CO 0.8736
444 PIY 0.8735
445 AEF 0.8735
446 PKU 0.8733
447 INO 0.8733
448 SMV 0.8732
449 MYJ 0.8731
450 DHB 0.8726
451 8GL 0.8725
452 RAT 0.8725
453 ZBT 0.8725
454 4NC 0.8725
455 KMT 0.8725
456 34D 0.8724
457 3HA 0.8723
458 HYP 0.8723
459 M4T 0.8723
460 3QM 0.8723
461 4LW 0.8722
462 ILO 0.8722
463 CPZ 0.8721
464 ENV 0.8721
465 DER 0.8721
466 MT2 0.8720
467 WOT 0.8720
468 FM4 0.8719
469 X1R 0.8719
470 MED 0.8717
471 69O 0.8717
472 258 0.8716
473 NFA 0.8715
474 PEZ 0.8714
475 BNF 0.8713
476 3AL 0.8711
477 ARG 0.8711
478 NXA 0.8710
479 PHE 0.8710
480 DLT 0.8708
481 TYE 0.8708
482 4SD 0.8707
483 TZE 0.8707
484 HNK 0.8707
485 C21 0.8704
486 6TZ 0.8703
487 APG 0.8701
488 POP 0.8700
489 R9S 0.8700
490 R20 0.8698
491 HFA 0.8697
492 LEA 0.8696
493 SSB 0.8694
494 4ZA 0.8694
495 E5X 0.8692
496 L14 0.8692
497 DBH 0.8690
498 4NM 0.8689
499 P72 0.8688
500 HY1 0.8686
501 AHN 0.8682
502 NTN 0.8681
503 EYK 0.8680
504 M45 0.8680
505 P9P 0.8678
506 NCT 0.8677
507 HQJ 0.8675
508 HX4 0.8675
509 SN4 0.8675
510 2PC 0.8673
511 PZA 0.8669
512 826 0.8668
513 LR5 0.8668
514 DHS 0.8667
515 RBJ 0.8667
516 AOT 0.8666
517 3W8 0.8665
518 5HY 0.8664
519 SW7 0.8663
520 PEL 0.8662
521 AW5 0.8660
522 271 0.8659
523 IWT 0.8659
524 GRO 0.8655
525 MSE 0.8654
526 XM0 0.8654
527 MWP 0.8653
528 QUS 0.8652
529 FBF 0.8651
530 PRA 0.8649
531 23J 0.8649
532 36Y 0.8647
533 JZ5 0.8647
534 NSD 0.8646
535 A3M 0.8645
536 HZP 0.8640
537 ABU 0.8639
538 TCA 0.8638
539 IT2 0.8638
540 5RP 0.8633
541 FOA 0.8633
542 3M0 0.8627
543 Q03 0.8626
544 MD0 0.8624
545 JF6 0.8623
546 7VP 0.8619
547 MAH 0.8616
548 C1M 0.8613
549 JKE 0.8610
550 6M4 0.8604
551 3F0 0.8604
552 MRZ 0.8602
553 9TW 0.8601
554 ZYX 0.8601
555 GVG 0.8600
556 FA1 0.8598
557 7MU 0.8595
558 A5E 0.8592
559 OHP 0.8592
560 2F6 0.8590
561 RUY 0.8585
562 XX2 0.8583
563 SKJ 0.8583
564 PJL 0.8581
565 2HO 0.8581
566 Z13 0.8579
567 DHK 0.8574
568 N9J 0.8570
569 SSN 0.8569
570 SAT 0.8567
571 2D8 0.8564
572 4BZ 0.8560
573 JFJ 0.8559
574 1BN 0.8553
575 EV0 0.8553
576 R9J 0.8552
577 PRS 0.8551
578 TP5 0.8548
579 1DU 0.8547
580 AES 0.8547
581 HHA 0.8545
582 45L 0.8545
583 NNO 0.8544
584 GYE 0.8542
585 4A3 0.8540
586 FHB 0.8529
587 CIR 0.8526
588 BTM 0.8526
589 Q02 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2W5T; Ligand: GP9; 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: 2w5t.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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