Receptor
PDB id Resolution Class Description Source Keywords
1M1B 2.25 Å EC: 5.4.2.9 CRYSTAL STRUCTURE OF PHOSPHOENOLPYRUVATE MUTASE COMPLEXED WI SULFOPYRUVATE MYTILUS EDULIS PHOSPHOENOLPYRUVATE MUTASE PEP MUTASE SULFOPYRUVATE ISOME
Ref.: DISSOCIATIVE PHOSPHORYL TRANSFER IN PEP MUTASE CATA STRUCTURE OF THE ENZYME/SULFOPYRUVATE COMPLEX AND K PROPERTIES OF MUTANTS. BIOCHEMISTRY V. 41 10270 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:998;
B:999;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
SPV A:996;
B:997;
Valid;
Valid;
none;
none;
Ki = 22 uM
168.125 C3 H4 O6 S C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M1B 2.25 Å EC: 5.4.2.9 CRYSTAL STRUCTURE OF PHOSPHOENOLPYRUVATE MUTASE COMPLEXED WI SULFOPYRUVATE MYTILUS EDULIS PHOSPHOENOLPYRUVATE MUTASE PEP MUTASE SULFOPYRUVATE ISOME
Ref.: DISSOCIATIVE PHOSPHORYL TRANSFER IN PEP MUTASE CATA STRUCTURE OF THE ENZYME/SULFOPYRUVATE COMPLEX AND K PROPERTIES OF MUTANTS. BIOCHEMISTRY V. 41 10270 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1PYM - OXL C2 O4 C(=O)(C(=O....
2 1M1B Ki = 22 uM SPV C3 H4 O6 S C(C(=O)C(=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1PYM - OXL C2 O4 C(=O)(C(=O....
2 1M1B Ki = 22 uM SPV C3 H4 O6 S C(C(=O)C(=....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1PYM - OXL C2 O4 C(=O)(C(=O....
2 1M1B Ki = 22 uM SPV C3 H4 O6 S C(C(=O)C(=....
3 1XG3 - PYR C3 H4 O3 CC(=O)C(=O....
4 2DUA Ki = 17 uM OXL C2 O4 C(=O)(C(=O....
5 2HJP - PPR C3 H5 O6 P C(C(=O)C(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SPV; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 SPV 1 1
2 SAT 0.571429 0.894737
3 R67 0.541667 0.714286
Similar Ligands (3D)
Ligand no: 1; Ligand: SPV; Similar ligands found: 652
No: Ligand Similarity coefficient
1 PEP 1.0000
2 0V5 0.9840
3 GZ3 0.9802
4 PPR 0.9777
5 AL0 0.9737
6 3SL 0.9717
7 GPJ 0.9705
8 GPF 0.9705
9 HL5 0.9688
10 PGA 0.9681
11 X1S 0.9640
12 ACH 0.9638
13 PEQ 0.9623
14 FB2 0.9609
15 PMB 0.9590
16 MLT 0.9546
17 CRN 0.9540
18 OAA 0.9536
19 PAH 0.9532
20 COI 0.9522
21 ASP 0.9515
22 ASN 0.9504
23 SEP 0.9498
24 LEU 0.9496
25 LTL 0.9493
26 PGH 0.9483
27 1GP 0.9474
28 IOM 0.9456
29 G3P 0.9452
30 LMR 0.9449
31 1SA 0.9448
32 DS0 0.9442
33 PEZ 0.9436
34 TEO 0.9431
35 SAN 0.9428
36 13P 0.9419
37 CYX 0.9412
38 129 0.9410
39 XSP 0.9410
40 G3H 0.9408
41 CMS 0.9408
42 DYA 0.9406
43 DAS 0.9404
44 ITN 0.9399
45 GP9 0.9396
46 QMP 0.9375
47 AKG 0.9374
48 2PG 0.9374
49 FB1 0.9373
50 UGC 0.9370
51 TSU 0.9368
52 PSE 0.9346
53 SIN 0.9334
54 FBV 0.9329
55 2RH 0.9323
56 LLQ 0.9323
57 PMF 0.9315
58 PZI 0.9306
59 SRT 0.9305
60 PCA 0.9304
61 DGN 0.9304
62 FSG 0.9303
63 152 0.9301
64 G2H 0.9297
65 3PG 0.9294
66 NXA 0.9294
67 HG3 0.9289
68 DGL 0.9282
69 2IT 0.9282
70 URF 0.9279
71 SD4 0.9278
72 JYD 0.9272
73 FUM 0.9272
74 HBU 0.9270
75 URP 0.9269
76 3PP 0.9261
77 3S5 0.9261
78 3LR 0.9260
79 ORN 0.9257
80 GLN 0.9257
81 FBS 0.9257
82 FOC 0.9252
83 RSO 0.9251
84 FBW 0.9251
85 GUA 0.9250
86 XCZ 0.9243
87 TPA 0.9241
88 SMN 0.9239
89 EKZ 0.9234
90 4J8 0.9231
91 A20 0.9229
92 SKG 0.9229
93 SPA 0.9229
94 4NG 0.9228
95 X0V 0.9228
96 MAE 0.9227
97 FCR 0.9224
98 CIZ 0.9222
99 2HG 0.9222
100 HX2 0.9218
101 PAC 0.9216
102 HDA 0.9215
103 1DV 0.9213
104 98J 0.9212
105 TLA 0.9212
106 NLE 0.9209
107 DMV 0.9209
108 NIO 0.9208
109 PAF 0.9199
110 S2G 0.9198
111 ISZ 0.9194
112 BEZ 0.9189
113 IZC 0.9187
114 ZGL 0.9187
115 AAS 0.9183
116 1DQ 0.9182
117 7N0 0.9179
118 WBU 0.9178
119 BEN 0.9178
120 URQ 0.9177
121 TAR 0.9177
122 P22 0.9177
123 NBZ 0.9175
124 LNO 0.9175
125 SVD 0.9167
126 OPE 0.9166
127 NCA 0.9164
128 K5W 0.9163
129 RIP 0.9163
130 RHU 0.9162
131 PHB 0.9162
132 A09 0.9162
133 CFI 0.9162
134 BAM 0.9162
135 6PC 0.9162
136 HSO 0.9160
137 PZA 0.9160
138 HIO 0.9155
139 ONL 0.9150
140 IXW 0.9147
141 GJZ 0.9145
142 QY9 0.9143
143 OSE 0.9143
144 2CO 0.9141
145 RNT 0.9140
146 NPO 0.9139
147 BNS 0.9136
148 SHF 0.9133
149 GLU 0.9133
150 8K2 0.9133
151 NTN 0.9132
152 FCN 0.9130
153 IFP 0.9126
154 2TQ 0.9124
155 4MV 0.9123
156 MRZ 0.9121
157 8EW 0.9119
158 HPS 0.9115
159 ICF 0.9115
160 HIS 0.9115
161 PRO 0.9114
162 URO 0.9111
163 ILE 0.9110
164 3V4 0.9109
165 CCE 0.9104
166 GAG 0.9103
167 1Y6 0.9102
168 MLE 0.9100
169 SYC 0.9100
170 7A8 0.9100
171 SS1 0.9099
172 GRO 0.9096
173 I4B 0.9094
174 2PC 0.9093
175 OEM 0.9093
176 UY7 0.9093
177 IDM 0.9091
178 OKG 0.9089
179 51R 0.9089
180 BZX 0.9088
181 SC2 0.9088
182 HBD 0.9085
183 ALA ALA 0.9083
184 AC0 0.9081
185 XLS 0.9080
186 XUL 0.9080
187 HYP 0.9077
188 F9P 0.9076
189 PBC 0.9074
190 BHO 0.9074
191 FK8 0.9073
192 6JN 0.9070
193 SS2 0.9070
194 TZE 0.9068
195 JZ7 0.9068
196 DAL DAL 0.9066
197 9ON 0.9066
198 OK7 0.9066
199 AHB 0.9065
200 UNU 0.9064
201 MED 0.9064
202 GGL 0.9063
203 UYA 0.9062
204 NIZ 0.9061
205 YCP 0.9061
206 PC 0.9061
207 0VT 0.9059
208 URS 0.9057
209 RMN 0.9054
210 NMG 0.9052
211 M4T 0.9050
212 LY0 0.9050
213 R2P 0.9048
214 HHI 0.9048
215 H95 0.9047
216 2D8 0.9046
217 OHP 0.9040
218 IP8 0.9040
219 B85 0.9039
220 40E 0.9038
221 7WG 0.9038
222 VGL 0.9037
223 69O 0.9035
224 OGA 0.9034
225 4CS 0.9033
226 CXF 0.9031
227 FA1 0.9030
228 HBA 0.9029
229 Q88 0.9029
230 SAL 0.9028
231 9X7 0.9027
232 RB5 0.9027
233 XYL 0.9027
234 HSE 0.9026
235 MUC 0.9025
236 PHU 0.9024
237 MET 0.9024
238 R9S 0.9023
239 DAB 0.9023
240 PAB 0.9023
241 HPA 0.9023
242 DCO 0.9022
243 MPD 0.9021
244 JBN 0.9021
245 3FH 0.9017
246 9RW 0.9017
247 1SH 0.9010
248 0OC 0.9009
249 FBM 0.9009
250 AMS 0.9009
251 KMH 0.9006
252 51F 0.9005
253 ROR 0.9005
254 9X6 0.9004
255 DLY 0.9003
256 BE2 0.9002
257 RNS 0.9002
258 DHI 0.9001
259 M58 0.9001
260 2FT 0.9000
261 2AS 0.8999
262 QSC 0.8999
263 3YP 0.8999
264 LFC 0.8998
265 I1E 0.8998
266 DFU 0.8997
267 TFB 0.8997
268 IHG 0.8996
269 ADE 0.8995
270 R2B 0.8995
271 PCT 0.8995
272 HY3 0.8995
273 3HG 0.8994
274 HZP 0.8994
275 2MH 0.8994
276 P72 0.8993
277 5FX 0.8993
278 FPY 0.8991
279 TIU 0.8990
280 PBZ 0.8989
281 F05 0.8988
282 173 0.8987
283 FYU 0.8985
284 9J3 0.8984
285 AHR 0.8982
286 FEH 0.8982
287 DPN 0.8979
288 DYT 0.8978
289 GLY GLY 0.8977
290 XBT 0.8977
291 PLU 0.8977
292 HF2 0.8975
293 3OC 0.8974
294 PEA 0.8973
295 FAN 0.8973
296 RBL 0.8972
297 PAE 0.8972
298 SYN 0.8971
299 PG3 0.8968
300 CP 0.8967
301 TZC 0.8965
302 PPV 0.8965
303 RAT 0.8965
304 OTR 0.8964
305 SNE 0.8963
306 ES6 0.8962
307 JZ5 0.8962
308 3HB 0.8961
309 AT3 0.8960
310 8EZ 0.8959
311 KOJ 0.8959
312 PIS 0.8959
313 SYM 0.8958
314 DHB 0.8957
315 NVA 0.8955
316 RUJ 0.8955
317 HHA 0.8954
318 R9M 0.8952
319 6M4 0.8952
320 TB6 0.8952
321 0MK 0.8952
322 K7M 0.8951
323 FOA 0.8951
324 HBX 0.8951
325 ZBT 0.8948
326 M6W 0.8947
327 IQ0 0.8946
328 GAB 0.8945
329 ISD 0.8944
330 S0H 0.8944
331 2AL 0.8941
332 GLL 0.8941
333 TP5 0.8940
334 THE 0.8939
335 XM0 0.8939
336 PYC 0.8938
337 4NC 0.8938
338 1P3 0.8938
339 I2M 0.8937
340 3U4 0.8937
341 RSF 0.8937
342 7VD 0.8935
343 GG6 0.8934
344 K6H 0.8932
345 ABN 0.8932
346 SOL 0.8931
347 4LR 0.8931
348 HMH 0.8928
349 DAV 0.8925
350 TZL 0.8924
351 24B 0.8924
352 OEG 0.8923
353 RIB 0.8922
354 LYS 0.8921
355 HCI 0.8919
356 ASC 0.8918
357 SHO 0.8917
358 8OZ 0.8914
359 NMJ 0.8913
360 B40 0.8913
361 MYJ 0.8912
362 PEL 0.8911
363 273 0.8911
364 3AB 0.8910
365 IPM 0.8907
366 SOR 0.8907
367 OVV 0.8907
368 3NT 0.8906
369 FLA 0.8906
370 1PT 0.8905
371 Z82 0.8904
372 L3Q 0.8903
373 P9P 0.8903
374 C21 0.8901
375 8GC 0.8898
376 WCE 0.8898
377 GVM 0.8897
378 NCT 0.8893
379 AC6 0.8893
380 TPO 0.8893
381 NK2 0.8892
382 JZ9 0.8892
383 53C 0.8886
384 HFA 0.8885
385 FUB 0.8884
386 TIH 0.8883
387 POP 0.8883
388 282 0.8883
389 826 0.8882
390 5XB 0.8882
391 MEQ 0.8882
392 271 0.8881
393 49F 0.8881
394 DHS 0.8881
395 HCS 0.8880
396 DCL 0.8874
397 T2C 0.8874
398 HY1 0.8870
399 3BU 0.8870
400 JKE 0.8868
401 6NA 0.8867
402 FQI 0.8867
403 HSM 0.8865
404 GWM 0.8865
405 5AC 0.8864
406 4MA 0.8864
407 E4P 0.8862
408 2CK 0.8861
409 4JT 0.8861
410 1DU 0.8861
411 S2P 0.8860
412 GYE 0.8860
413 7UC 0.8858
414 APG 0.8858
415 4SX 0.8856
416 N4B 0.8855
417 EHM 0.8855
418 60P 0.8855
419 EDR 0.8854
420 JAE 0.8854
421 KMT 0.8854
422 VAL 0.8853
423 PHE 0.8853
424 HDH 0.8852
425 APY 0.8850
426 GLY ALA 0.8846
427 3AL 0.8846
428 IT2 0.8845
429 FP1 0.8843
430 3SK 0.8841
431 AG2 0.8840
432 2PN 0.8840
433 HGA 0.8840
434 EDG 0.8840
435 AC5 0.8839
436 A13 0.8839
437 KVP 0.8838
438 1AB 0.8838
439 4VP 0.8836
440 TAG 0.8836
441 HTX 0.8836
442 SME 0.8835
443 ZXD 0.8835
444 FBJ 0.8835
445 DOB 0.8833
446 1MR 0.8832
447 1DJ 0.8830
448 H42 0.8829
449 4FA 0.8827
450 MRY 0.8825
451 NNO 0.8824
452 THR 0.8823
453 ALO 0.8823
454 1LN 0.8821
455 F60 0.8818
456 CEE 0.8818
457 DPR 0.8817
458 261 0.8816
459 DGJ 0.8816
460 O7U 0.8816
461 5H1 0.8815
462 5HN 0.8815
463 6AI 0.8814
464 MXN 0.8812
465 1WD 0.8811
466 5CU 0.8811
467 Q02 0.8811
468 14O 0.8811
469 IMR 0.8809
470 LDU 0.8809
471 MCT 0.8808
472 45L 0.8808
473 BSX 0.8808
474 XX2 0.8804
475 911 0.8803
476 PRS 0.8802
477 5MB 0.8800
478 5NU 0.8799
479 3HP 0.8798
480 GLO 0.8797
481 174 0.8796
482 MYQ 0.8794
483 23W 0.8793
484 SMV 0.8792
485 M3H 0.8792
486 MNN 0.8791
487 CSS 0.8790
488 FPI 0.8790
489 AOS 0.8789
490 JLZ 0.8787
491 BE7 0.8787
492 9YT 0.8787
493 VAH 0.8786
494 LEA 0.8786
495 3QM 0.8785
496 SHA 0.8785
497 MAK 0.8782
498 OAF 0.8781
499 ODV 0.8780
500 JZ4 0.8779
501 PSJ 0.8778
502 TDR 0.8777
503 OXQ 0.8777
504 KPL 0.8777
505 BAE 0.8775
506 DOR 0.8772
507 C5A 0.8771
508 MTL 0.8771
509 TMH 0.8771
510 MDN 0.8770
511 G4D 0.8769
512 CCD 0.8769
513 5MI 0.8768
514 3BZ 0.8768
515 2K4 0.8767
516 5HY 0.8761
517 PRA 0.8758
518 M45 0.8757
519 MLA 0.8756
520 BRT 0.8756
521 ABU 0.8753
522 SDD 0.8752
523 3MV 0.8751
524 2CL 0.8751
525 IFM 0.8750
526 SW7 0.8748
527 4SV 0.8747
528 ABV 0.8746
529 AMC 0.8746
530 VNJ 0.8746
531 41K 0.8745
532 J9T 0.8743
533 DTL 0.8743
534 3DO 0.8742
535 11S 0.8741
536 MWM 0.8741
537 CDV 0.8740
538 CHH 0.8737
539 MLI 0.8735
540 R8A 0.8735
541 NBE 0.8734
542 NK 0.8733
543 IFL 0.8733
544 FA0 0.8733
545 NSP 0.8731
546 PBE 0.8730
547 K34 0.8730
548 R1X 0.8728
549 9TY 0.8728
550 IP0 0.8728
551 MNM 0.8727
552 54D 0.8727
553 2LP 0.8726
554 BNF 0.8724
555 ABE 0.8723
556 KTA 0.8722
557 5RG 0.8719
558 AX7 0.8717
559 GOJ 0.8715
560 Z6J 0.8715
561 IVA 0.8713
562 N8P 0.8713
563 ZZT 0.8712
564 T9G 0.8712
565 4ZE 0.8712
566 PYF 0.8710
567 4HP 0.8709
568 4XR 0.8707
569 NM2 0.8707
570 R8V 0.8707
571 BHA 0.8706
572 SSN 0.8706
573 449 0.8705
574 FUD 0.8705
575 GBD 0.8705
576 JFJ 0.8704
577 7WV 0.8703
578 ORO 0.8702
579 2XX 0.8701
580 PYJ 0.8700
581 N7P 0.8699
582 FK1 0.8696
583 23B 0.8696
584 KYD 0.8692
585 4M0 0.8688
586 KIV 0.8688
587 6M9 0.8688
588 ET2 0.8688
589 069 0.8688
590 GTQ 0.8688
591 PRZ 0.8679
592 HMU 0.8678
593 DEN 0.8675
594 AEF 0.8675
595 Q07 0.8674
596 PBA 0.8672
597 QFH 0.8660
598 SKM 0.8659
599 IND 0.8650
600 WOT 0.8650
601 GCO 0.8649
602 YRL 0.8648
603 270 0.8647
604 Q03 0.8643
605 RUU 0.8643
606 DHK 0.8641
607 MSE 0.8640
608 QUZ 0.8640
609 95Z 0.8639
610 LER 0.8639
611 NM3 0.8638
612 BZF 0.8637
613 BZI 0.8634
614 DMJ 0.8632
615 MAN 0.8629
616 RM1 0.8629
617 3PO 0.8629
618 LZ1 0.8629
619 MPI 0.8628
620 PY7 0.8625
621 RBJ 0.8624
622 TYE 0.8624
623 4SD 0.8623
624 LSA 0.8623
625 IT9 0.8623
626 AHN 0.8621
627 X1R 0.8618
628 92K 0.8618
629 24W 0.8617
630 AKB 0.8616
631 23J 0.8607
632 DBX 0.8607
633 1SP 0.8605
634 4JP 0.8605
635 0R1 0.8604
636 MZW 0.8603
637 SJ5 0.8600
638 NPY 0.8600
639 PG0 0.8597
640 0CT 0.8596
641 FPK 0.8593
642 280 0.8591
643 GVH 0.8591
644 0CG 0.8589
645 6CS 0.8576
646 6LW 0.8567
647 BDF 0.8565
648 2MI 0.8565
649 9EW 0.8558
650 M1A 0.8552
651 BP9 0.8540
652 10L 0.8529
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M1B; Ligand: SPV; 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: 1m1b.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1M1B; Ligand: SPV; 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: 1m1b.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1M1B; Ligand: SPV; 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: 1m1b.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1M1B; Ligand: SPV; 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: 1m1b.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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