Receptor
PDB id Resolution Class Description Source Keywords
5CAK 1.99 Å EC: 2.3.3.9 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTH COMPLEX WITH 2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) FRAGMENT COMPLEX ACETYLTRANSFERASE TRANSFERASE
Ref.: MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE STRUCTUR FRAGMENTS REVEAL A PORTAL FOR SUBSTRATE/PRODUCT EXC J. BIOL. CHEM. V. 291 27421 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:801;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
4Z9 A:802;
 Valid;
 none;
 submit data
205.21 C11 H11 N O3 c1ccc...
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: 4Z9; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 4Z9 1 1
2 3IL 1 1
3 DTR 0.666667 0.75
4 TRP 0.666667 0.75
5 IAC 0.54902 0.870968
6 R59 0.546875 0.622222
7 R38 0.546875 0.622222
8 TR7 0.534483 0.625
9 IOP 0.528302 0.84375
10 TSR 0.509804 0.605263
11 3IB 0.5 0.818182
12 ITW 0.5 0.714286
13 TRP GLY 0.484375 0.608696
14 ZIQ 0.474576 0.658537
15 IAD 0.46875 0.674419
16 IAV 0.46875 0.674419
17 IAG 0.466667 0.674419
18 9BF 0.464286 0.628571
19 C5Q 0.408451 0.651163
Similar Ligands (3D)
Ligand no: 1; Ligand: 4Z9; Similar ligands found: 718
No: Ligand Similarity coefficient
1 EXR 0.9855
2 78U 0.9630
3 NAL 0.9606
4 96Z 0.9602
5 C0W 0.9553
6 MMS 0.9529
7 ZON 0.9521
8 IOS 0.9513
9 CTE 0.9490
10 2UD 0.9456
11 LZ5 0.9447
12 5WN 0.9444
13 DTE 0.9434
14 DAH 0.9433
15 8XL 0.9428
16 I2E 0.9424
17 4OG 0.9418
18 363 0.9418
19 B41 0.9411
20 5TO 0.9410
21 RVE 0.9402
22 LTN 0.9384
23 3SU 0.9380
24 3EB 0.9359
25 KF5 0.9354
26 CC5 0.9353
27 YOF 0.9344
28 B5A 0.9341
29 5B2 0.9330
30 BZM 0.9320
31 XI7 0.9320
32 NVU 0.9316
33 XEN 0.9315
34 LL1 0.9315
35 JCZ 0.9311
36 AVA 0.9311
37 7L4 0.9301
38 ALN 0.9297
39 MQB 0.9293
40 JY2 0.9286
41 TOH 0.9278
42 VM1 0.9277
43 9JT 0.9275
44 F40 0.9275
45 HWH 0.9270
46 ASE 0.9268
47 0GA 0.9265
48 C4E 0.9264
49 S7G 0.9264
50 C53 0.9256
51 BY5 0.9256
52 NIY 0.9254
53 P93 0.9254
54 6C8 0.9253
55 6HO 0.9248
56 TCR 0.9248
57 JXT 0.9247
58 BB4 0.9246
59 5E5 0.9246
60 JYW 0.9244
61 X6P 0.9239
62 IYR 0.9239
63 FF2 0.9237
64 SYE 0.9232
65 6C5 0.9230
66 AMR 0.9228
67 0A1 0.9228
68 EXG 0.9226
69 AC2 0.9225
70 WA2 0.9224
71 2LT 0.9221
72 AZY 0.9219
73 DHC 0.9215
74 KWB 0.9214
75 ZZA 0.9213
76 BQ2 0.9211
77 9F8 0.9210
78 N1E 0.9209
79 H35 0.9209
80 2JX 0.9209
81 QUB 0.9205
82 0ON 0.9200
83 6C9 0.9197
84 9CE 0.9197
85 833 0.9196
86 M3Q 0.9190
87 BZQ 0.9188
88 M5H 0.9188
89 P4L 0.9188
90 PIQ 0.9188
91 TYR 0.9186
92 6FG 0.9184
93 S3C 0.9184
94 68B 0.9180
95 0DF 0.9180
96 S0D 0.9179
97 SKF 0.9178
98 EV2 0.9172
99 DXK 0.9168
100 JGB 0.9166
101 3L1 0.9161
102 5AD 0.9161
103 ENO 0.9160
104 HA6 0.9159
105 11X 0.9154
106 9UL 0.9154
107 HH6 0.9154
108 6DQ 0.9152
109 2GQ 0.9152
110 3VW 0.9151
111 FNA 0.9150
112 2FX 0.9143
113 CBE 0.9142
114 1QP 0.9140
115 6J9 0.9139
116 3AK 0.9138
117 II4 0.9137
118 BIO 0.9135
119 54E 0.9135
120 848 0.9132
121 FER 0.9127
122 0UL 0.9126
123 XFE 0.9122
124 2D2 0.9121
125 BC3 0.9117
126 TYC 0.9116
127 ZIP 0.9115
128 NFZ 0.9113
129 A6W 0.9113
130 0LO 0.9112
131 Q5M 0.9111
132 FWD 0.9110
133 FPL 0.9109
134 EYY 0.9106
135 5JT 0.9105
136 GO2 0.9104
137 CK2 0.9104
138 BBY 0.9103
139 5FL 0.9103
140 4FF 0.9102
141 RQD 0.9101
142 5F8 0.9098
143 PFF 0.9097
144 NK5 0.9096
145 52F 0.9096
146 CUT 0.9093
147 H75 0.9090
148 9B3 0.9089
149 54X 0.9089
150 PLP 0.9087
151 SLY 0.9083
152 D1Y 0.9081
153 NQ7 0.9080
154 EYV 0.9080
155 3B4 0.9079
156 LR2 0.9079
157 7EH 0.9079
158 DTY 0.9079
159 6J5 0.9078
160 KYN 0.9076
161 JXK 0.9076
162 PW1 0.9074
163 EYJ 0.9073
164 G14 0.9072
165 XCG 0.9066
166 F06 0.9066
167 QMS 0.9066
168 5TZ 0.9065
169 APS 0.9065
170 EQW 0.9064
171 TSS 0.9063
172 WLH 0.9062
173 NPA 0.9062
174 ABF 0.9060
175 ZEA 0.9060
176 ODK 0.9058
177 CLU 0.9058
178 JSX 0.9057
179 P2L 0.9055
180 IQQ 0.9055
181 EN1 0.9054
182 Q4G 0.9054
183 3VQ 0.9054
184 G6P 0.9052
185 0OL 0.9051
186 8U3 0.9051
187 GJK 0.9050
188 7AP 0.9050
189 5ER 0.9049
190 JYT 0.9049
191 2P3 0.9044
192 L5D 0.9042
193 TMG 0.9042
194 3IP 0.9041
195 RNK 0.9041
196 DDU 0.9041
197 XRX 0.9040
198 2QU 0.9038
199 ERZ 0.9038
200 5V7 0.9038
201 BPY 0.9037
202 4I8 0.9036
203 0FR 0.9033
204 MD6 0.9032
205 4GP 0.9030
206 EQA 0.9030
207 GB4 0.9029
208 QH3 0.9029
209 4AF 0.9028
210 GXG 0.9028
211 BG6 0.9025
212 5F5 0.9024
213 20D 0.9024
214 4ZF 0.9024
215 JF5 0.9024
216 X48 0.9024
217 7N8 0.9022
218 HLP 0.9022
219 EWG 0.9022
220 WCU 0.9018
221 CIY 0.9018
222 BSA 0.9017
223 CWD 0.9016
224 JGY 0.9016
225 1V3 0.9015
226 ZEZ 0.9014
227 5NN 0.9014
228 LSQ 0.9012
229 H4B 0.9012
230 8D6 0.9011
231 M02 0.9011
232 FZM 0.9007
233 SWX 0.9007
234 THM 0.9005
235 1AJ 0.9005
236 1V4 0.9005
237 HVE 0.9004
238 I59 0.9004
239 HBI 0.9004
240 Y3L 0.9003
241 MP5 0.9002
242 3D8 0.9002
243 2QV 0.9002
244 1V1 0.9002
245 092 0.8999
246 TB8 0.8999
247 1YO 0.8998
248 EXL 0.8998
249 ZME 0.8997
250 SRO 0.8996
251 LEL 0.8994
252 NKI 0.8994
253 S1D 0.8993
254 M01 0.8993
255 KLE 0.8993
256 CX4 0.8993
257 H7S 0.8992
258 AOJ 0.8992
259 8CC 0.8992
260 JXQ 0.8991
261 LLG 0.8990
262 28A 0.8988
263 BK9 0.8988
264 KMY 0.8987
265 N7I 0.8987
266 3F4 0.8987
267 6DP 0.8986
268 QIV 0.8986
269 49P 0.8986
270 FCW 0.8986
271 L12 0.8986
272 PPN 0.8985
273 3GX 0.8985
274 GO8 0.8984
275 CUH 0.8984
276 RGK 0.8984
277 AVX 0.8982
278 VBC 0.8981
279 C82 0.8980
280 A73 0.8980
281 1PS 0.8979
282 1Q4 0.8977
283 MJ5 0.8976
284 SZ5 0.8975
285 0OK 0.8973
286 0SY 0.8972
287 ZRK 0.8970
288 4GU 0.8970
289 1ZC 0.8970
290 42R 0.8968
291 4G2 0.8968
292 2KU 0.8968
293 2L1 0.8967
294 P7Y 0.8967
295 4CF 0.8965
296 A5H 0.8965
297 LWS 0.8961
298 HWD 0.8961
299 4BX 0.8961
300 RCV 0.8961
301 BVS 0.8960
302 DBS 0.8958
303 FMQ 0.8957
304 6SD 0.8957
305 4FP 0.8955
306 F52 0.8955
307 1A5 0.8955
308 6C4 0.8954
309 JPQ 0.8954
310 5GT 0.8953
311 5OO 0.8952
312 5WK 0.8950
313 4K2 0.8948
314 GXD 0.8947
315 0XR 0.8947
316 P80 0.8946
317 YE7 0.8946
318 3VX 0.8945
319 SOJ 0.8945
320 92O 0.8945
321 AP6 0.8945
322 AUV 0.8944
323 PLR 0.8944
324 25F 0.8943
325 8OB 0.8942
326 PMP 0.8942
327 CFA 0.8942
328 4BF 0.8942
329 MBP 0.8942
330 1HP 0.8942
331 SBK 0.8940
332 EUH 0.8940
333 S7D 0.8939
334 BWD 0.8938
335 61M 0.8938
336 4NS 0.8938
337 4NP 0.8937
338 GNW 0.8935
339 SSY 0.8934
340 6HP 0.8932
341 X2M 0.8931
342 78Y 0.8931
343 E9S 0.8931
344 BP7 0.8927
345 0OM 0.8927
346 STV 0.8925
347 6H2 0.8925
348 DPN 0.8924
349 FTV 0.8921
350 0LH 0.8919
351 PH3 0.8917
352 NEO 0.8917
353 FT6 0.8915
354 ZSP 0.8913
355 MDR 0.8913
356 5P3 0.8912
357 22T 0.8912
358 LRW 0.8912
359 22L 0.8912
360 0K7 0.8910
361 ARP 0.8909
362 9FH 0.8908
363 4CN 0.8908
364 5I5 0.8908
365 3WN 0.8907
366 3WO 0.8907
367 1FE 0.8906
368 3WJ 0.8906
369 NIR 0.8905
370 IDZ 0.8905
371 CSN 0.8904
372 TYE 0.8904
373 47V 0.8903
374 CR1 0.8902
375 4AU 0.8902
376 4XF 0.8902
377 YE6 0.8901
378 CMU 0.8900
379 67Y 0.8899
380 DFL 0.8898
381 C9E 0.8897
382 TU0 0.8897
383 8OE 0.8896
384 1QV 0.8896
385 2B4 0.8892
386 TRF 0.8892
387 7ZL 0.8891
388 VC3 0.8889
389 IWD 0.8888
390 FCD 0.8888
391 272 0.8887
392 C9M 0.8887
393 2J5 0.8886
394 6P3 0.8886
395 GNG 0.8885
396 AWE 0.8884
397 C0H 0.8883
398 QUS 0.8883
399 RSV 0.8881
400 9VZ 0.8881
401 ML1 0.8881
402 MXD 0.8880
403 N91 0.8879
404 0QV 0.8878
405 3TC 0.8877
406 XIF XYP 0.8876
407 0OY 0.8876
408 4FE 0.8876
409 0NX 0.8874
410 HX8 0.8873
411 EYA 0.8870
412 3D1 0.8870
413 HC4 0.8869
414 HXY 0.8868
415 6MW 0.8867
416 OA1 0.8867
417 XDK 0.8866
418 657 0.8866
419 ET0 0.8866
420 5S9 0.8865
421 TOM 0.8864
422 7ZO 0.8863
423 1XS 0.8862
424 4MP 0.8861
425 PHI 0.8859
426 GA2 0.8859
427 HIC 0.8859
428 EVO 0.8858
429 U7E 0.8857
430 XJ2 0.8857
431 JFS 0.8856
432 J38 0.8856
433 EMU 0.8855
434 NTF 0.8855
435 5H6 0.8855
436 WVV 0.8855
437 6GP 0.8853
438 GHQ 0.8853
439 5WU 0.8853
440 VJJ 0.8852
441 TCC 0.8852
442 RA7 0.8852
443 GZV 0.8851
444 PE2 0.8850
445 DE7 0.8850
446 PTB 0.8850
447 28S 0.8850
448 7VY 0.8849
449 0OP 0.8849
450 MEX 0.8848
451 E9L 0.8848
452 CXH 0.8846
453 NFM 0.8845
454 ZYQ 0.8844
455 YF3 0.8843
456 XYP XIF 0.8841
457 MPU 0.8841
458 F5C 0.8838
459 F90 0.8837
460 5RP 0.8835
461 MPP 0.8834
462 RCM 0.8832
463 MW5 0.8830
464 Q0K 0.8828
465 CDJ 0.8826
466 VT3 0.8826
467 CUQ 0.8826
468 ONZ 0.8824
469 M3W 0.8823
470 HPP 0.8822
471 3WK 0.8818
472 EYM 0.8817
473 536 0.8815
474 A9B 0.8813
475 12R 0.8813
476 A7K 0.8812
477 GC2 0.8811
478 89J 0.8808
479 5O5 0.8808
480 H2W 0.8808
481 ZYW 0.8807
482 TXW 0.8807
483 SQV 0.8807
484 7MX 0.8807
485 PXP 0.8807
486 9E3 0.8807
487 4R1 0.8807
488 0DN 0.8806
489 PYU 0.8805
490 DBE 0.8805
491 YIH 0.8805
492 7MW 0.8804
493 AVO 0.8804
494 ETV 0.8801
495 CHQ 0.8800
496 ARJ 0.8800
497 3D3 0.8799
498 4BY 0.8799
499 P81 0.8798
500 Y4L 0.8798
501 W8L 0.8796
502 26C 0.8796
503 MIL 0.8795
504 TI7 0.8795
505 R9G 0.8792
506 UN4 0.8792
507 D9Z 0.8790
508 BL0 0.8789
509 2FD 0.8788
510 TIA 0.8788
511 8MP 0.8788
512 3Y7 0.8787
513 0X2 0.8786
514 OJD 0.8784
515 50C 0.8783
516 B21 0.8783
517 531 0.8782
518 4NR 0.8781
519 F1X 0.8778
520 B4L 0.8776
521 L21 0.8776
522 0QA 0.8775
523 790 0.8774
524 NYJ 0.8774
525 LI7 0.8773
526 4Z1 0.8773
527 A4V 0.8772
528 NIP 0.8772
529 3CA 0.8771
530 NPL 0.8771
531 27K 0.8769
532 LVP 0.8768
533 GLP 0.8768
534 ZRL 0.8768
535 GZ2 0.8768
536 KCH 0.8766
537 NEU 0.8766
538 9NB 0.8765
539 M78 0.8765
540 D8Y 0.8765
541 F6P 0.8764
542 J4K 0.8764
543 3LJ 0.8763
544 NFK 0.8763
545 KLV 0.8762
546 5ZM 0.8761
547 JA3 0.8761
548 7O4 0.8760
549 5WT 0.8760
550 XRS 0.8757
551 4ZD 0.8756
552 YX1 0.8755
553 STZ 0.8755
554 GB5 0.8755
555 A7Q 0.8755
556 14W 0.8753
557 XEV 0.8753
558 M4E 0.8752
559 QR2 0.8750
560 36M 0.8750
561 TNX 0.8749
562 3VS 0.8748
563 0OO 0.8748
564 ALE 0.8748
565 DX5 0.8747
566 3G3 0.8747
567 5E4 0.8746
568 FHV 0.8746
569 XYP XYP 0.8745
570 6L6 0.8744
571 PLP PMP 0.8744
572 PZP 0.8744
573 AHL 0.8742
574 92G 0.8740
575 THU 0.8740
576 E0O 0.8740
577 A51 0.8739
578 5F1 0.8735
579 AOY 0.8734
580 M6Z 0.8733
581 SNV 0.8731
582 HJH 0.8729
583 F63 0.8728
584 XDN XYP 0.8728
585 MUX 0.8728
586 V2Z 0.8728
587 XYP XDN 0.8727
588 B86 0.8725
589 A6P 0.8723
590 D25 0.8721
591 W23 0.8721
592 NOC 0.8721
593 7G1 0.8720
594 HFA 0.8720
595 1BW 0.8720
596 2L2 0.8719
597 3GV 0.8719
598 5WM 0.8719
599 ZHA 0.8719
600 HPT 0.8718
601 QIF 0.8718
602 ZYV 0.8718
603 FUZ 0.8718
604 L2K 0.8718
605 R9J 0.8716
606 OSB 0.8716
607 33S 0.8715
608 G30 0.8715
609 M6D 0.8714
610 OLU 0.8714
611 1ER 0.8714
612 5SJ 0.8712
613 XDL XYP 0.8710
614 6XC 0.8710
615 9VQ 0.8709
616 XIL 0.8709
617 D8Q 0.8709
618 LI4 0.8709
619 TA6 0.8709
620 88R 0.8708
621 3C5 0.8705
622 HHV 0.8705
623 M4N 0.8704
624 6Q3 0.8703
625 4MB 0.8703
626 A8K 0.8703
627 LO1 0.8701
628 HSX 0.8701
629 39Z 0.8701
630 BGP 0.8699
631 NWD 0.8699
632 7D7 0.8697
633 EY7 0.8695
634 IQW 0.8693
635 2HC 0.8691
636 4AB 0.8689
637 X29 0.8685
638 6N4 0.8684
639 PNP 0.8684
640 IMH 0.8680
641 STX 0.8676
642 MCY 0.8675
643 9PL 0.8672
644 FC2 0.8670
645 KLS 0.8669
646 D64 0.8668
647 IPO 0.8667
648 D1G 0.8667
649 PPT 0.8664
650 A7H 0.8664
651 CL9 0.8663
652 P1J 0.8662
653 T03 0.8661
654 PF1 0.8658
655 ISA 0.8655
656 D6G 0.8655
657 PZX 0.8654
658 BXZ 0.8653
659 7PJ 0.8652
660 5M2 0.8651
661 N9J 0.8650
662 LJ3 0.8649
663 6NZ 0.8648
664 NIF 0.8648
665 SU9 0.8646
666 3WL 0.8642
667 CCV 0.8641
668 M9N 0.8640
669 SNR 0.8636
670 L07 0.8635
671 AKD 0.8635
672 TZP 0.8635
673 NQH 0.8631
674 L1T 0.8631
675 ACE TRP 0.8628
676 HL4 0.8628
677 3XH 0.8622
678 D2G 0.8621
679 KPV 0.8619
680 69K 0.8618
681 8UY 0.8616
682 Z70 0.8608
683 JVD 0.8607
684 EAT 0.8604
685 16Z 0.8604
686 4L2 0.8604
687 VFM 0.8604
688 BHS 0.8602
689 8Y7 0.8599
690 B61 0.8598
691 263 0.8597
692 9X3 0.8596
693 GOE 0.8595
694 PMM 0.8595
695 F18 0.8592
696 TID 0.8591
697 AJD 0.8578
698 S0I 0.8576
699 5SP 0.8574
700 2LW 0.8572
701 3JM 0.8571
702 AHC 0.8570
703 NAR 0.8567
704 D3G 0.8567
705 E3X 0.8566
706 AJ1 0.8564
707 UA2 0.8562
708 FTK 0.8556
709 S7S 0.8553
710 PCS 0.8547
711 A5Q 0.8547
712 SJR 0.8546
713 ID8 0.8543
714 K82 0.8539
715 FM2 0.8534
716 4BL 0.8525
717 78P 0.8519
718 8YH 0.8518
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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