Receptor
PDB id Resolution Class Description Source Keywords
6ASU 2.32 Å EC: 2.3.3.9 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTH COMPLEX WITH 4-METHYL-PHENYLDIKETOACID MYCOBACTERIUM TUBERCULOSIS ACETYLTRANSFERASE STRUCTURAL GENOMICS TB STRUCTURAL GENOMICONSORTIUM TBSGC TRANSFERASE TRANSFERASE-TRANSFERASE INHCOMPLEX
Ref.: ANION-PI INTERACTIONS IN COMPUTER-AIDED DRUG DESIGN MODELING THE INHIBITION OF MALATE SYNTHASE BY PHENY ACIDS. J CHEM INF MODEL V. 58 2085 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BVS A:802;
 Valid;
 none;
 ic50 = 6.1 uM
206.195 C11 H10 O4 Cc1cc...
MG A:801;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
NI A:803;
 Part of Protein;
 none;
 submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6C6O 2.3 Å EC: 2.3.3.9 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTH COMPLEX WITH 2-BR-4-OH-PHENYLDIKETOACID MYCOBACTERIUM TUBERCULOSIS ACETYLTRANSFERASE STRUCTURAL GENOMICS TB STRUCTURAL GENOMICONSORTIUM TBSGC TRANSFERASE TRANSFERASE-TRANSFERASE INHCOMPLEX
Ref.: ANION-PI INTERACTIONS IN COMPUTER-AIDED DRUG DESIGN MODELING THE INHIBITION OF MALATE SYNTHASE BY PHENY ACIDS. J CHEM INF MODEL V. 58 2085 2018
Members (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6BU1 ic50 = 0.06 uM E9S C10 H7 Br O5 c1cc(c(c(c....
2 5C9W - 4Z3 C8 H7 Br N2 O2 c1ccc(c(c1....
3 6C8P ic50 = 0.2 uM EQA C10 H7 F O4 c1ccc(c(c1....
4 5DRC - 5ER C12 H9 N O4 c1ccc2c(c1....
5 5DX7 - 5H6 C8 H4 Cl N O3 S c1cc(sc1c2....
6 5ECV - 5M2 C13 H11 N O4 Cc1c2cc[nH....
7 5CBB - 4ZF C12 H9 N3 O2 c1ccc2c(c1....
8 5C7V - PYC C5 H4 N O2 c1cc([nH]c....
9 2GQ3 - MLT C4 H6 O5 C([C@H](C(....
10 5E9X - 5LA C7 H4 Cl N O2 S c1c2cc(sc2....
11 5C9U - 4Z1 C8 H6 Cl2 N2 O3 c1cc(c(cc1....
12 6BA7 ic50 = 0.007 uM D1Y C10 H7 Cl O5 c1cc(c(cc1....
13 5CBI - 4ZC C7 H4 Cl N O c1cc(c(cc1....
14 1N8I - GLV C2 H2 O3 C(=O)C(=O)....
15 5C9R - 4YZ C9 H9 Cl O2 S c1cc(ccc1S....
16 5CBJ - 4ZD C9 H8 O2 S c1ccc(cc1)....
17 5CAH - 4ZA C7 H5 N O2 S c1csc2c1cc....
18 5C9X - 4Z4 C7 H3 Cl2 F O2 c1c(c(cc(c....
19 6AS6 ic50 = 15.2 uM BSV C14 H14 O4 Cc1ccc(cc1....
20 5CJN - 52F C11 H10 N2 O3 c1ccc2c(c1....
21 6DNP ic50 = 6.6 uM GZV C11 H8 F2 O4 Cc1ccc(c(c....
22 5CCZ - 50C C10 H10 F N3 Cc1c(n[nH]....
23 6DKO ic50 = 1.6 uM GXG C10 H6 F2 O4 c1cc(c(c(c....
24 6C6O ic50 = 0.005 uM ENG C10 H7 Br O5 c1cc(c(cc1....
25 6APZ ic50 = 0.15 uM BQ4 C10 H8 O5 c1cc(cc(c1....
26 6AXB ic50 = 0.5 uM C0V C14 H10 O4 c1ccc2cc(c....
27 6C7B ic50 = 1.5 uM ENY C15 H12 O5 COc1ccc2cc....
28 5CEW - 6MW C9 H10 N2 O2 S c1cnccc1[C....
29 5CAK - 4Z9 C11 H11 N O3 c1ccc2c(c1....
30 6ASU ic50 = 6.1 uM BVS C11 H10 O4 Cc1ccc(cc1....
31 6AU9 ic50 = 1.1 uM BXS C12 H10 O6 c1cc2c(cc1....
32 5CJM - 4WL C7 H5 N O2 S c1csc2c1[n....
33 6DL9 ic50 = 1 uM GXD C10 H6 Cl2 O4 c1cc(c(c(c....
34 5T8G - 4Z0 C9 H6 O5 S c1cc(sc1)C....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6BU1 ic50 = 0.06 uM E9S C10 H7 Br O5 c1cc(c(c(c....
2 5C9W - 4Z3 C8 H7 Br N2 O2 c1ccc(c(c1....
3 6C8P ic50 = 0.2 uM EQA C10 H7 F O4 c1ccc(c(c1....
4 5DRC - 5ER C12 H9 N O4 c1ccc2c(c1....
5 5DX7 - 5H6 C8 H4 Cl N O3 S c1cc(sc1c2....
6 5ECV - 5M2 C13 H11 N O4 Cc1c2cc[nH....
7 5CBB - 4ZF C12 H9 N3 O2 c1ccc2c(c1....
8 5C7V - PYC C5 H4 N O2 c1cc([nH]c....
9 6C7B ic50 = 1.5 uM ENY C15 H12 O5 COc1ccc2cc....
10 5CEW - 6MW C9 H10 N2 O2 S c1cnccc1[C....
11 5CAK - 4Z9 C11 H11 N O3 c1ccc2c(c1....
12 6ASU ic50 = 6.1 uM BVS C11 H10 O4 Cc1ccc(cc1....
13 6AU9 ic50 = 1.1 uM BXS C12 H10 O6 c1cc2c(cc1....
14 5CJM - 4WL C7 H5 N O2 S c1csc2c1[n....
15 6DL9 ic50 = 1 uM GXD C10 H6 Cl2 O4 c1cc(c(c(c....
16 5T8G - 4Z0 C9 H6 O5 S c1cc(sc1)C....
50% Homology Family (35)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6BU1 ic50 = 0.06 uM E9S C10 H7 Br O5 c1cc(c(c(c....
2 5C9W - 4Z3 C8 H7 Br N2 O2 c1ccc(c(c1....
3 6C8P ic50 = 0.2 uM EQA C10 H7 F O4 c1ccc(c(c1....
4 5DRC - 5ER C12 H9 N O4 c1ccc2c(c1....
5 5DX7 - 5H6 C8 H4 Cl N O3 S c1cc(sc1c2....
6 5ECV - 5M2 C13 H11 N O4 Cc1c2cc[nH....
7 5CBB - 4ZF C12 H9 N3 O2 c1ccc2c(c1....
8 5C7V - PYC C5 H4 N O2 c1cc([nH]c....
9 2GQ3 - MLT C4 H6 O5 C([C@H](C(....
10 5E9X - 5LA C7 H4 Cl N O2 S c1c2cc(sc2....
11 5C9U - 4Z1 C8 H6 Cl2 N2 O3 c1cc(c(cc1....
12 6BA7 ic50 = 0.007 uM D1Y C10 H7 Cl O5 c1cc(c(cc1....
13 5CBI - 4ZC C7 H4 Cl N O c1cc(c(cc1....
14 1N8I - GLV C2 H2 O3 C(=O)C(=O)....
15 5C9R - 4YZ C9 H9 Cl O2 S c1cc(ccc1S....
16 5CBJ - 4ZD C9 H8 O2 S c1ccc(cc1)....
17 5CAH - 4ZA C7 H5 N O2 S c1csc2c1cc....
18 5C9X - 4Z4 C7 H3 Cl2 F O2 c1c(c(cc(c....
19 6AS6 ic50 = 15.2 uM BSV C14 H14 O4 Cc1ccc(cc1....
20 5CJN - 52F C11 H10 N2 O3 c1ccc2c(c1....
21 6DNP ic50 = 6.6 uM GZV C11 H8 F2 O4 Cc1ccc(c(c....
22 5CCZ - 50C C10 H10 F N3 Cc1c(n[nH]....
23 6DKO ic50 = 1.6 uM GXG C10 H6 F2 O4 c1cc(c(c(c....
24 6C6O ic50 = 0.005 uM ENG C10 H7 Br O5 c1cc(c(cc1....
25 6APZ ic50 = 0.15 uM BQ4 C10 H8 O5 c1cc(cc(c1....
26 6AXB ic50 = 0.5 uM C0V C14 H10 O4 c1ccc2cc(c....
27 6C7B ic50 = 1.5 uM ENY C15 H12 O5 COc1ccc2cc....
28 5CEW - 6MW C9 H10 N2 O2 S c1cnccc1[C....
29 5CAK - 4Z9 C11 H11 N O3 c1ccc2c(c1....
30 6ASU ic50 = 6.1 uM BVS C11 H10 O4 Cc1ccc(cc1....
31 6AU9 ic50 = 1.1 uM BXS C12 H10 O6 c1cc2c(cc1....
32 5CJM - 4WL C7 H5 N O2 S c1csc2c1[n....
33 6DL9 ic50 = 1 uM GXD C10 H6 Cl2 O4 c1cc(c(c(c....
34 5T8G - 4Z0 C9 H6 O5 S c1cc(sc1)C....
35 1D8C - SOR C6 H14 O6 C([C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BVS; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 BVS 1 1
2 BQ4 0.434783 0.833333
Similar Ligands (3D)
Ligand no: 1; Ligand: BVS; Similar ligands found: 547
No: Ligand Similarity coefficient
1 0K7 0.9672
2 D1Y 0.9645
3 XI7 0.9506
4 1XS 0.9497
5 A9B 0.9488
6 G14 0.9473
7 6MW 0.9464
8 EQA 0.9430
9 0UL 0.9421
10 ZZA 0.9419
11 6FG 0.9413
12 4AU 0.9412
13 MKN 0.9412
14 3SU 0.9391
15 8YH 0.9386
16 PIQ 0.9365
17 FHV 0.9362
18 5F8 0.9361
19 3VQ 0.9357
20 U4J 0.9352
21 VBC 0.9338
22 JSX 0.9337
23 S1D 0.9331
24 E9S 0.9323
25 PUE 0.9318
26 AJG 0.9313
27 6C8 0.9308
28 TCR 0.9299
29 5H6 0.9299
30 DBE 0.9296
31 Y3L 0.9293
32 Q4G 0.9288
33 SJR 0.9283
34 F18 0.9281
35 S0D 0.9280
36 JMG 0.9277
37 RSV 0.9274
38 7KE 0.9265
39 AJ1 0.9260
40 2FX 0.9259
41 A5H 0.9257
42 47V 0.9252
43 4FP 0.9250
44 LZ5 0.9250
45 ENG 0.9244
46 6C4 0.9242
47 5M2 0.9241
48 1SF 0.9241
49 OLU 0.9240
50 5TO 0.9237
51 MD6 0.9237
52 JVD 0.9235
53 WV7 0.9234
54 4CF 0.9225
55 D2G 0.9222
56 E3X 0.9222
57 LIG 0.9220
58 795 0.9219
59 9JT 0.9219
60 4FF 0.9215
61 GXD 0.9210
62 KLE 0.9207
63 EQW 0.9206
64 TYR 0.9204
65 27K 0.9203
66 TRP 0.9203
67 0NX 0.9199
68 P7V 0.9196
69 272 0.9194
70 CUQ 0.9194
71 ODK 0.9192
72 5FL 0.9187
73 TVZ 0.9187
74 PRL 0.9186
75 7MW 0.9185
76 LR2 0.9181
77 68B 0.9180
78 AUV 0.9180
79 6C5 0.9179
80 S0A 0.9176
81 L03 0.9176
82 5VU 0.9176
83 8CC 0.9174
84 1FE 0.9172
85 S0F 0.9171
86 QME 0.9171
87 D25 0.9171
88 BZQ 0.9171
89 60L 0.9169
90 B1J 0.9168
91 0DF 0.9165
92 92G 0.9162
93 U13 0.9161
94 IQQ 0.9158
95 7EH 0.9155
96 GB5 0.9155
97 D1G 0.9149
98 NK5 0.9147
99 HH6 0.9147
100 2PK 0.9143
101 KLS 0.9141
102 OJD 0.9138
103 2D2 0.9137
104 H4B 0.9136
105 5O6 0.9133
106 XCG 0.9132
107 DTY 0.9130
108 JCZ 0.9129
109 S7D 0.9125
110 SX2 0.9123
111 M4N 0.9121
112 YE6 0.9119
113 A6W 0.9117
114 A51 0.9117
115 TMG 0.9117
116 J1K 0.9116
117 36M 0.9115
118 HC4 0.9115
119 1FL 0.9115
120 IDZ 0.9114
121 1HP 0.9111
122 11X 0.9110
123 NKI 0.9110
124 L5D 0.9109
125 0OY 0.9106
126 363 0.9106
127 6ZX 0.9105
128 2PV 0.9103
129 RA7 0.9103
130 GXG 0.9103
131 JFS 0.9100
132 0LO 0.9097
133 78Y 0.9096
134 5E5 0.9095
135 ERZ 0.9094
136 PFF 0.9094
137 HPP 0.9092
138 JF5 0.9091
139 C82 0.9090
140 5C1 0.9087
141 5B2 0.9085
142 HNM 0.9084
143 L1T 0.9082
144 H2B 0.9082
145 FZM 0.9080
146 GO2 0.9079
147 ENO 0.9079
148 VM1 0.9079
149 28A 0.9075
150 5WK 0.9073
151 P93 0.9071
152 2QU 0.9070
153 NPX 0.9069
154 BSA 0.9067
155 KMY 0.9063
156 7FU 0.9061
157 NFZ 0.9061
158 ESE 0.9058
159 KWV 0.9056
160 0ON 0.9055
161 CBE 0.9054
162 4I8 0.9054
163 3XH 0.9054
164 LFQ 0.9054
165 3CA 0.9053
166 4Z1 0.9051
167 FT6 0.9048
168 HBI 0.9048
169 GZV 0.9047
170 3VW 0.9047
171 GB4 0.9046
172 0XR 0.9046
173 X6W 0.9046
174 AVA 0.9043
175 AOY 0.9042
176 6H2 0.9040
177 II4 0.9039
178 FCW 0.9037
179 90G 0.9036
180 BIO 0.9036
181 7G2 0.9035
182 1Q1 0.9032
183 VC3 0.9031
184 A73 0.9030
185 DAH 0.9029
186 F40 0.9029
187 28B 0.9028
188 EUH 0.9027
189 1V1 0.9026
190 49P 0.9026
191 LL1 0.9025
192 1AJ 0.9021
193 V2Z 0.9017
194 20D 0.9017
195 SWX 0.9015
196 4AB 0.9014
197 6P3 0.9013
198 RGK 0.9013
199 6KT 0.9007
200 TPM 0.9005
201 C53 0.9005
202 IOP 0.9004
203 DFL 0.9003
204 U14 0.9001
205 FF2 0.9000
206 RPN 0.8999
207 6C9 0.8998
208 I2E 0.8998
209 AWE 0.8996
210 5TZ 0.8994
211 GVY 0.8988
212 1ER 0.8987
213 7O4 0.8987
214 EAT 0.8982
215 5ER 0.8982
216 5F5 0.8982
217 WCU 0.8980
218 NAL 0.8976
219 492 0.8976
220 N9J 0.8975
221 3R4 0.8975
222 GHQ 0.8973
223 245 0.8968
224 0SY 0.8968
225 FCD 0.8968
226 RKV 0.8967
227 FMQ 0.8967
228 3CX 0.8965
229 2JX 0.8963
230 C4E 0.8963
231 ZRK 0.8963
232 9FH 0.8962
233 5TT 0.8962
234 3C5 0.8962
235 D3G 0.8961
236 4Z9 0.8960
237 STV 0.8959
238 S7S 0.8956
239 A7Q 0.8955
240 D26 0.8953
241 G30 0.8952
242 NPS 0.8952
243 DHC 0.8951
244 D8Q 0.8943
245 Q2S 0.8942
246 4HB 0.8939
247 NIF 0.8938
248 H75 0.8937
249 6FB 0.8937
250 VFG 0.8937
251 3GV 0.8936
252 VGS 0.8935
253 2P3 0.8933
254 8D6 0.8932
255 LVD 0.8930
256 GGB 0.8929
257 S0B 0.8929
258 N9M 0.8929
259 6HO 0.8928
260 QIV 0.8927
261 DUR 0.8927
262 EV2 0.8927
263 848 0.8926
264 S0W 0.8926
265 1A5 0.8925
266 WLH 0.8923
267 K7H 0.8923
268 TYC 0.8921
269 37E 0.8919
270 4CN 0.8919
271 EUE 0.8919
272 WDW 0.8918
273 L2K 0.8917
274 MMS 0.8916
275 P4T 0.8914
276 08C 0.8911
277 TOH 0.8909
278 IPO 0.8909
279 ZEA 0.8908
280 MJW 0.8906
281 1L5 0.8905
282 80G 0.8904
283 AMR 0.8904
284 657 0.8903
285 KWB 0.8902
286 EWG 0.8901
287 BIK 0.8901
288 SJK 0.8899
289 42R 0.8895
290 25F 0.8894
291 PHI 0.8892
292 4UM 0.8892
293 3IP 0.8889
294 ZEC 0.8888
295 SSY 0.8887
296 VFJ 0.8887
297 1PS 0.8885
298 XEV 0.8885
299 0OK 0.8885
300 22F 0.8884
301 RDV 0.8883
302 PTB 0.8881
303 S8P 0.8880
304 S0E 0.8878
305 W23 0.8877
306 6SD 0.8874
307 3VS 0.8872
308 6L6 0.8871
309 VFM 0.8870
310 833 0.8868
311 94X 0.8868
312 F90 0.8864
313 MQR 0.8864
314 BQ2 0.8864
315 JA5 0.8864
316 AVX 0.8864
317 A63 0.8864
318 7ZO 0.8863
319 DXK 0.8863
320 UN3 0.8862
321 S46 0.8862
322 P81 0.8861
323 GT4 0.8855
324 1KN 0.8855
325 S45 0.8854
326 K80 0.8853
327 C0V 0.8853
328 MMJ 0.8851
329 A8D 0.8851
330 IQ5 0.8850
331 HXY 0.8849
332 DBS 0.8845
333 TB8 0.8842
334 X48 0.8842
335 4G2 0.8841
336 LEL 0.8840
337 GNW 0.8840
338 4YZ 0.8839
339 M78 0.8839
340 GJG 0.8838
341 1EB 0.8837
342 1Q2 0.8834
343 FQX 0.8833
344 KYN 0.8832
345 XDL XYP 0.8830
346 HX8 0.8829
347 613 0.8829
348 JX7 0.8828
349 BP7 0.8828
350 6J5 0.8827
351 ARG 0.8826
352 9CE 0.8824
353 TID 0.8824
354 3D8 0.8822
355 YE7 0.8822
356 4AF 0.8820
357 1OT 0.8820
358 5OO 0.8820
359 YZ9 0.8818
360 D9Z 0.8817
361 6WR 0.8816
362 A8K 0.8815
363 3F4 0.8811
364 PZX 0.8809
365 FY8 0.8808
366 YZM 0.8808
367 A98 0.8808
368 JGY 0.8806
369 7G0 0.8803
370 ESJ 0.8803
371 NY4 0.8803
372 1YO 0.8801
373 SZ5 0.8801
374 4BX 0.8799
375 Z70 0.8798
376 SB7 0.8795
377 5S9 0.8795
378 G6Q 0.8794
379 BXS 0.8790
380 6DQ 0.8790
381 IWT 0.8790
382 C0W 0.8789
383 LTN 0.8788
384 K3D 0.8787
385 YIP 0.8784
386 4ZF 0.8783
387 2GQ 0.8782
388 1HR 0.8782
389 IPJ 0.8781
390 20N 0.8780
391 B21 0.8779
392 IYR 0.8777
393 3D3 0.8776
394 IS2 0.8775
395 7N8 0.8772
396 EYJ 0.8770
397 7AP 0.8770
398 LI7 0.8770
399 HRD 0.8767
400 S8G 0.8766
401 RGP 0.8765
402 52F 0.8764
403 5CQ 0.8764
404 856 0.8764
405 1VK 0.8761
406 Q92 0.8760
407 5R8 0.8758
408 HL6 0.8754
409 PLP 0.8754
410 TIA 0.8754
411 TCA 0.8750
412 A9E 0.8750
413 SOJ 0.8749
414 JL7 0.8749
415 P4L 0.8746
416 A05 0.8746
417 AZY 0.8743
418 531 0.8742
419 XYP XIF 0.8742
420 2UV 0.8742
421 JF8 0.8741
422 9BF 0.8740
423 5ZM 0.8740
424 MR6 0.8739
425 N4E 0.8737
426 AD6 0.8737
427 A7H 0.8736
428 PQM 0.8735
429 3H2 0.8735
430 RQD 0.8734
431 RYJ 0.8733
432 4BF 0.8730
433 GF7 0.8729
434 NE2 0.8727
435 6CL 0.8724
436 OA1 0.8723
437 R9J 0.8722
438 AZM 0.8722
439 LO1 0.8721
440 API 0.8720
441 NIY 0.8720
442 TJM 0.8719
443 HRM 0.8716
444 BBP 0.8715
445 HHB 0.8713
446 U7E 0.8711
447 4FE 0.8710
448 JBZ 0.8709
449 PBN 0.8709
450 4GU 0.8709
451 90M 0.8708
452 KW7 0.8708
453 G2V 0.8707
454 MGB 0.8706
455 3IL 0.8702
456 96Z 0.8701
457 PPY 0.8701
458 XIL 0.8700
459 L15 0.8698
460 2WU 0.8697
461 2L1 0.8696
462 EAJ 0.8696
463 2QC 0.8696
464 S98 0.8695
465 AGP 0.8694
466 PPN 0.8689
467 J38 0.8689
468 MVH 0.8688
469 XIF XYP 0.8685
470 5TY 0.8685
471 T1N 0.8683
472 4BY 0.8681
473 9NB 0.8681
474 P9E 0.8679
475 61M 0.8678
476 H35 0.8678
477 S60 0.8677
478 5P3 0.8676
479 HSA 0.8675
480 KU1 0.8673
481 XDK 0.8673
482 CHQ 0.8671
483 5CK 0.8667
484 0FR 0.8666
485 0X2 0.8666
486 0NJ 0.8666
487 T21 0.8663
488 EZL 0.8663
489 2J1 0.8659
490 S62 0.8648
491 Z3R 0.8648
492 HRG 0.8644
493 BGU 0.8639
494 7VP 0.8639
495 8V8 0.8638
496 PQS 0.8636
497 EP1 0.8636
498 F6R 0.8628
499 ET0 0.8627
500 X0U 0.8627
501 SKF 0.8621
502 SZ7 0.8620
503 JOT 0.8620
504 L22 0.8620
505 IOS 0.8615
506 LGT 0.8615
507 RYV 0.8615
508 C0H 0.8613
509 F02 0.8613
510 CFA 0.8612
511 FC2 0.8612
512 BX4 0.8610
513 ZYC 0.8608
514 F63 0.8608
515 GZ2 0.8605
516 HX4 0.8605
517 5WN 0.8604
518 3ZB 0.8604
519 AX4 0.8598
520 RAY 0.8597
521 2QV 0.8595
522 WG8 0.8591
523 FNT 0.8580
524 CT0 0.8578
525 XYP XDN 0.8578
526 6PG 0.8578
527 3L1 0.8577
528 M25 0.8577
529 TCC 0.8569
530 NU3 0.8566
531 4XF 0.8564
532 NEU 0.8563
533 SYE 0.8563
534 M3L 0.8562
535 1ZC 0.8560
536 XDN XYP 0.8560
537 PO6 0.8560
538 K4V 0.8559
539 Q06 0.8559
540 ALY 0.8549
541 RK4 0.8546
542 GJK 0.8545
543 1A7 0.8543
544 HPX 0.8533
545 2PW 0.8521
546 UNJ 0.8519
547 PLR 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6C6O; Ligand: ENG; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 6c6o.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 4L9Z OXL 5.01475
2 4L9Z OXL 5.01475
3 4L9Z OXL 5.01475
4 4L9Z OXL 5.01475
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