Receptor
PDB id Resolution Class Description Source Keywords
1FHV 1.77 Å EC: 4.2.1.- CRYSTAL STRUCTURE ANALYSIS OF O-SUCCINYLBENZOATE SYNTHASE FR COMPLEXED WITH MG AND OSB ESCHERICHIA COLI ENOLASE SUPERFAMILY OXIDOREDUCTASE
Ref.: EVOLUTION OF ENZYMATIC ACTIVITY IN THE ENOLASE SUPE STRUCTURE OF O-SUCCINYLBENZOATE SYNTHASE FROM ESCHE COLI IN COMPLEX WITH MG2+ AND O-SUCCINYLBENZOATE. BIOCHEMISTRY V. 39 10662 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:790;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
OSB A:789;
 Valid;
 none;
 submit data
222.194 C11 H10 O5 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1R6W 1.62 Å EC: 4.2.1.- CRYSTAL STRUCTURE OF THE K133R MUTANT OF O-SUCCINYLBENZOATE SYNTHASE (OSBS) FROM ESCHERICHIA COLI. COMPLEX WITH SHCHC ESCHERICHIA COLI ENOLASE SUPERFAMILY; TIM BARREL; CAPPING ALPHA+BETA DOMAIN LYASE
Ref.: EVOLUTION OF ENZYMATIC ACTIVITY IN THE ENOLASE SUPERFAMILY: STRUCTURAL AND MUTAGENIC STUDIES OF THE MECHANISM OF THE REACTION CATALYZED BY O-SUCCINYLBENZOATE SYNTHASE FROM ESCHERICHIA COLI BIOCHEMISTRY V. 42 14427 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1R6W - 164 C11 H12 O6 C1=C[C@H](....
2 1FHV - OSB C11 H10 O5 c1ccc(c(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1R6W - 164 C11 H12 O6 C1=C[C@H](....
2 1FHV - OSB C11 H10 O5 c1ccc(c(c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1R6W - 164 C11 H12 O6 C1=C[C@H](....
2 1FHV - OSB C11 H10 O5 c1ccc(c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OSB; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 OSB 1 1
2 PHT 0.5625 0.727273
3 Q5M 0.44898 0.692308
Similar Ligands (3D)
Ligand no: 1; Ligand: OSB; Similar ligands found: 419
No: Ligand Similarity coefficient
1 ONZ 0.9445
2 5OF 0.9325
3 5WM 0.9301
4 MBP 0.9282
5 SQP 0.9268
6 NFK 0.9262
7 L21 0.9247
8 QUB 0.9239
9 9E3 0.9218
10 9F8 0.9218
11 FC3 0.9216
12 FUZ 0.9214
13 K3Y 0.9207
14 LLG 0.9193
15 55D 0.9186
16 2VQ 0.9140
17 P0P 0.9140
18 3IB 0.9131
19 TRP 0.9129
20 GZV 0.9128
21 ZIP 0.9119
22 WL3 0.9111
23 O2Y 0.9105
24 ZME 0.9090
25 S0I 0.9083
26 H35 0.9072
27 3B4 0.9069
28 Q2R 0.9069
29 AUY 0.9064
30 C9E 0.9057
31 SYR 0.9055
32 HA6 0.9046
33 3Y7 0.9044
34 A7K 0.9042
35 DTR 0.9038
36 EQA 0.9033
37 BDI 0.9032
38 4MX 0.9030
39 A4V 0.9027
40 78P 0.9025
41 GXG 0.9025
42 4A1 0.9019
43 2LX 0.9015
44 5JT 0.9015
45 3D8 0.9014
46 3IL 0.9014
47 B21 0.9013
48 3AK 0.9010
49 MD6 0.9008
50 6PB 0.9002
51 AKD 0.9002
52 IKY 0.9000
53 TOM 0.8998
54 AEY 0.8997
55 23N 0.8997
56 CMG 0.8993
57 MOK 0.8993
58 5VJ 0.8993
59 NBG 0.8988
60 GRX 0.8986
61 EYA 0.8985
62 IOP 0.8985
63 EXL 0.8984
64 5WT 0.8984
65 2KU 0.8981
66 878 0.8978
67 96R 0.8977
68 BPU 0.8973
69 GHM 0.8965
70 PLP 0.8965
71 IL5 0.8964
72 JR2 0.8963
73 1VQ 0.8963
74 FNA 0.8962
75 ZEA 0.8961
76 8NX 0.8961
77 56N 0.8958
78 E9S 0.8955
79 ALN 0.8952
80 3LJ 0.8947
81 1Z8 0.8945
82 M3Q 0.8945
83 QZ8 0.8945
84 KYN 0.8944
85 D1Y 0.8943
86 G6P 0.8939
87 B23 0.8938
88 6J9 0.8938
89 ZEZ 0.8937
90 61O 0.8937
91 IBC 0.8935
92 KYA 0.8934
93 4ME 0.8932
94 BQ5 0.8932
95 5E4 0.8928
96 EAJ 0.8928
97 F2W 0.8926
98 67Y 0.8925
99 S7B 0.8924
100 MUR 0.8924
101 ENG 0.8924
102 2GQ 0.8923
103 5V7 0.8922
104 TLG 0.8921
105 7M6 0.8921
106 PMP 0.8921
107 F5C 0.8919
108 QMS 0.8918
109 4NO 0.8915
110 GI4 0.8910
111 CX4 0.8909
112 12R 0.8908
113 NLA 0.8907
114 AJD 0.8906
115 W8G 0.8905
116 1X8 0.8905
117 EXD 0.8900
118 6HP 0.8899
119 RGG 0.8898
120 4OG 0.8897
121 8GK 0.8896
122 M02 0.8891
123 BIE 0.8886
124 GXD 0.8885
125 1QP 0.8885
126 NQH 0.8884
127 CR1 0.8883
128 ASE 0.8880
129 TOH 0.8880
130 M6P 0.8879
131 FER 0.8878
132 T6Z 0.8877
133 X04 0.8877
134 PH2 0.8875
135 49N 0.8874
136 GO8 0.8873
137 5WN 0.8873
138 HBO 0.8867
139 BZS 0.8867
140 XQI 0.8867
141 HPT 0.8866
142 AM1 0.8866
143 W29 0.8865
144 9AP 0.8864
145 PW1 0.8864
146 F6P 0.8862
147 DXK 0.8861
148 CPW 0.8861
149 TLM 0.8861
150 EGR 0.8858
151 AX3 0.8856
152 AYS 0.8856
153 SG2 0.8855
154 WA2 0.8853
155 7I2 0.8852
156 KED 0.8848
157 4R1 0.8844
158 XFE 0.8843
159 ELH 0.8842
160 YO5 0.8841
161 54X 0.8839
162 BG6 0.8839
163 TQU 0.8837
164 25O 0.8836
165 PXP 0.8836
166 QIF 0.8836
167 9GP 0.8834
168 ZYV 0.8834
169 GI1 0.8834
170 LDR 0.8833
171 GI3 0.8833
172 EYM 0.8832
173 ACE PHE 0.8831
174 AY4 0.8828
175 CMU 0.8826
176 XD9 0.8826
177 FCD 0.8824
178 M6D 0.8823
179 PVK 0.8823
180 SXX 0.8823
181 GC3 0.8822
182 CGW 0.8820
183 BGU 0.8820
184 78U 0.8819
185 LTN 0.8818
186 8G6 0.8817
187 TL6 0.8816
188 790 0.8815
189 BPS 0.8814
190 VXX 0.8813
191 7NU 0.8812
192 6DP 0.8812
193 TRF 0.8812
194 NHT 0.8810
195 PVQ 0.8809
196 1U7 0.8809
197 BZE 0.8806
198 344 0.8805
199 SLY 0.8804
200 OUB 0.8800
201 512 0.8798
202 B4O 0.8798
203 CHQ 0.8798
204 T2D 0.8797
205 STT 0.8797
206 I59 0.8796
207 TLF 0.8795
208 AZC 0.8794
209 GT1 0.8793
210 6Q3 0.8793
211 UFO 0.8789
212 7ZL 0.8788
213 E35 0.8786
214 HVE 0.8785
215 SNY 0.8781
216 2K8 0.8781
217 MXD 0.8780
218 28S 0.8779
219 HHR 0.8779
220 9OF 0.8778
221 C0W 0.8778
222 DNA 0.8777
223 KFN 0.8777
224 YE6 0.8776
225 3M8 0.8773
226 1QV 0.8772
227 49O 0.8772
228 OX2 0.8771
229 BGP 0.8770
230 IQS 0.8768
231 GLP 0.8766
232 CKI 0.8763
233 164 0.8762
234 61M 0.8762
235 BPY 0.8761
236 QUS 0.8761
237 UAY 0.8760
238 F1X 0.8760
239 2V0 0.8759
240 V1T 0.8758
241 4Z3 0.8756
242 PZP 0.8755
243 CKU 0.8755
244 B61 0.8755
245 EMU 0.8754
246 M1Z 0.8753
247 KTW 0.8752
248 IPT 0.8748
249 ID8 0.8747
250 AC2 0.8747
251 JXT 0.8747
252 SQ4 0.8744
253 89J 0.8744
254 D6G 0.8742
255 NAG 0.8742
256 IOS 0.8740
257 536 0.8740
258 KDN 0.8739
259 SQ7 0.8738
260 RME 0.8737
261 20J 0.8737
262 92P 0.8736
263 L3L 0.8735
264 O2A 0.8735
265 RVE 0.8734
266 5PX 0.8732
267 DRG 0.8732
268 KDM 0.8732
269 B4L 0.8732
270 IAG 0.8730
271 X0W 0.8730
272 4KL 0.8730
273 57O 0.8729
274 LIP 0.8729
275 HHV 0.8729
276 FC2 0.8728
277 9UL 0.8728
278 9BF 0.8728
279 A04 0.8727
280 LP8 0.8727
281 2J9 0.8726
282 NLQ 0.8724
283 G1P 0.8722
284 LL1 0.8722
285 IBM 0.8720
286 7FF 0.8719
287 4Z9 0.8716
288 B5D 0.8716
289 A9O 0.8715
290 0W1 0.8715
291 HHS 0.8715
292 F40 0.8714
293 TSR 0.8713
294 1FF 0.8710
295 BY5 0.8709
296 XQK 0.8705
297 TH4 0.8705
298 4KR 0.8703
299 RE4 0.8702
300 2LT 0.8699
301 CIY 0.8699
302 LEU PRO 0.8697
303 BC3 0.8696
304 WUB 0.8695
305 FF2 0.8692
306 NCV 0.8690
307 EXG 0.8689
308 K3Q 0.8688
309 CE2 0.8686
310 6TJ 0.8686
311 8W9 0.8685
312 DY5 0.8684
313 HJB 0.8684
314 CG8 0.8684
315 692 0.8684
316 CKA 0.8682
317 ZYQ 0.8679
318 IPD 0.8679
319 JP2 0.8676
320 TR7 0.8676
321 B5A 0.8674
322 GI2 0.8674
323 0FR 0.8672
324 NPL 0.8672
325 N2M 0.8671
326 KLK 0.8671
327 BCK 0.8668
328 0J5 0.8668
329 JO8 0.8665
330 N88 0.8662
331 F69 0.8662
332 CH9 0.8661
333 S60 0.8660
334 I4D 0.8659
335 EVO 0.8659
336 4EU 0.8659
337 P4L 0.8658
338 4GP 0.8653
339 ZON 0.8651
340 Q71 0.8650
341 TI7 0.8649
342 HJH 0.8648
343 JXQ 0.8646
344 M4E 0.8643
345 H5B 0.8643
346 GDL 0.8643
347 N7I 0.8641
348 MN9 0.8639
349 6J5 0.8639
350 MPP 0.8639
351 BK9 0.8637
352 15A 0.8633
353 5F5 0.8633
354 TL5 0.8633
355 DNC 0.8632
356 2B4 0.8631
357 AVO 0.8626
358 VM1 0.8621
359 M5H 0.8621
360 ITW 0.8620
361 60Q 0.8620
362 NPA 0.8616
363 DEG 0.8615
364 4A5 0.8615
365 CFA 0.8615
366 S8A 0.8615
367 AMR 0.8614
368 MP5 0.8614
369 H7Y 0.8614
370 ST1 0.8614
371 4V6 0.8612
372 GNV 0.8611
373 44V 0.8611
374 5AV 0.8610
375 PTS 0.8608
376 WVV 0.8606
377 8MO 0.8605
378 YTX 0.8604
379 7L4 0.8603
380 96Z 0.8602
381 9CE 0.8601
382 JTH 0.8601
383 F06 0.8601
384 NIY 0.8601
385 GC2 0.8598
386 Z5P 0.8593
387 5WS 0.8593
388 3IP 0.8593
389 6J3 0.8592
390 68A 0.8591
391 0FK 0.8591
392 NTF 0.8591
393 KW8 0.8588
394 8WT 0.8588
395 KG1 0.8586
396 P9I 0.8585
397 ALR 0.8583
398 7WR 0.8582
399 HSX 0.8573
400 U1K 0.8573
401 CBQ 0.8571
402 5NN 0.8571
403 3GX 0.8569
404 QTS 0.8565
405 AUV 0.8559
406 H05 0.8557
407 8XQ 0.8554
408 H4B 0.8553
409 KWB 0.8553
410 ABJ 0.8550
411 EN1 0.8546
412 3RI 0.8537
413 RH1 0.8532
414 3JN 0.8530
415 AVA 0.8530
416 6QF 0.8525
417 092 0.8513
418 NBV 0.8509
419 XEN 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1R6W; Ligand: 164; 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: 1r6w.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1R6W; Ligand: 164; 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: 1r6w.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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