Receptor
PDB id Resolution Class Description Source Keywords
7CIB 1.61 Å EC: 3.5.1.- CRYSTAL STRUCTURE OF P.AERUGINOSA LPXC IN COMPLEX WITH INHIB PSEUDOMONAS AERUGINOSA PAO1 UDP-3-O-ACYL-N-ACETYLGLUCOSAMINE DEACETYLASE ENVA LPXC PSAERUGINOSA HYDROLASE
Ref.: FRAGMENT-BASED DISCOVERY OF NOVEL NON-HYDROXAMATE L INHIBITORS WITH ANTIBACTERIAL ACTIVITY. J.MED.CHEM. V. 63 14805 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:1304;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
DMS A:1303;
A:1302;
A:1301;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
FYR A:1300;
 Valid;
 none;
 submit data
214.217 C13 H10 O3 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6MAE 1.8 Å EC: 3.5.1.- CHAIN A. UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE DE PA-LPXC COMPLEXED WITH (R)-3-((S)-3-(4-(CYCLOPROPYLETHYNYL)O XOOXAZOLIDIN-5-YL)-N-HYDROXY-2-METHYL-2-(METHYLSULFONYL)PR PSEUDOMONAS AERUGINOSA (STRAIN ATCC 1522644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 /ORGANISM_TAXID: 208964 LPXC HYDROLASE
Ref.: APPLICATION OF VIRTUAL SCREENING TO THE IDENTIFICAT NEW LPXC INHIBITOR CHEMOTYPES, OXAZOLIDINONE AND ISOXAZOLINE. J. MED. CHEM. V. 61 9360 2018
Members (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 3UHM ic50 = 3.6 nM RFN C17 H20 N2 O5 S C[C@@](CCN....
2 7CI4 ic50 = 8.97 uM FXU C12 H15 F3 N2 O4 S CS(=O)(=O)....
3 4LCH - 1WN C27 H23 N3 O5 C[C@](c1cc....
4 5U3B ic50 = 1.5 nM 7TD C16 H21 N3 O4 CC#CCOc1cc....
5 7CI9 ic50 = 20 nM FYL C21 H24 N4 O5 C[C@@H](c1....
6 7CI5 ic50 = 5.69 uM FXX C11 H11 F3 N2 O4 c1cc(cc(c1....
7 6MO5 ic50 = 0.3 nM JWP C22 H26 N2 O7 S CC(C)([C@@....
8 4J3D ic50 = 5.3 nM 1JS C23 H25 N3 O5 c1ccc(cc1)....
9 2VES - GVR C23 H20 N2 O4 S c1ccc2cc(c....
10 5DRR - 5EN C22 H19 F2 N3 O4 C[C@]([C@@....
11 4LCG - 1WM C26 H21 N3 O5 c1cc(ccc1C....
12 7CIC ic50 = 54.9 uM FZ0 C9 H9 F3 N2 O2 c1cc(cc(c1....
13 3P3E - 3P3 C21 H18 N2 O4 C[C@H]([C@....
14 6MO4 ic50 = 4.6 nM JWM C19 H22 N2 O6 S CC(C)([C@@....
15 5N8C - 8Q8 C27 H31 N5 O3 CC(C)([C@@....
16 7K99 - W4M C23 H27 N5 O3 S CS[C@@H](C....
17 5DRQ - 5EM C22 H22 N4 O3 CC(C)([C@@....
18 5U39 - C90 C24 H27 N3 O5 C[C@H]([C@....
19 3U1Y ic50 < 2.13 nM 03I C25 H34 N2 O6 S C[C@@](CCc....
20 7CIB - FYR C13 H10 O3 c1ccc(cc1)....
21 6MOO ic50 = 19 nM A5F C20 H23 N3 O4 CC(C)([C@@....
22 7CIE ic50 = 12.8 uM FZ6 C10 H11 F3 N2 O3 c1cc(cc(c1....
23 4LCF - 1WL C23 H19 N5 O3 c1cc(ccc1C....
24 7CID ic50 = 125 uM FZ3 C12 H13 Cl N2 c1cc(ccc1C....
25 7CI7 ic50 = 0.00603 uM FY9 C26 H32 N2 O5 S CS(=O)(=O)....
26 6MAE Kd = 0.065 nM JBA C19 H22 N2 O6 S C[C@@](C[C....
27 7K9A - W8P C23 H22 N6 O3 S CS[C@H](Cn....
28 6MOD ic50 = 0.71 nM JWV C19 H20 N2 O7 S COC1(CS(=O....
70% Homology Family (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 3UHM ic50 = 3.6 nM RFN C17 H20 N2 O5 S C[C@@](CCN....
2 7CI4 ic50 = 8.97 uM FXU C12 H15 F3 N2 O4 S CS(=O)(=O)....
3 4LCH - 1WN C27 H23 N3 O5 C[C@](c1cc....
4 5U3B ic50 = 1.5 nM 7TD C16 H21 N3 O4 CC#CCOc1cc....
5 7CI9 ic50 = 20 nM FYL C21 H24 N4 O5 C[C@@H](c1....
6 7CI5 ic50 = 5.69 uM FXX C11 H11 F3 N2 O4 c1cc(cc(c1....
7 6MO5 ic50 = 0.3 nM JWP C22 H26 N2 O7 S CC(C)([C@@....
8 4J3D ic50 = 5.3 nM 1JS C23 H25 N3 O5 c1ccc(cc1)....
9 2VES - GVR C23 H20 N2 O4 S c1ccc2cc(c....
10 5DRR - 5EN C22 H19 F2 N3 O4 C[C@]([C@@....
11 4LCG - 1WM C26 H21 N3 O5 c1cc(ccc1C....
12 7CIC ic50 = 54.9 uM FZ0 C9 H9 F3 N2 O2 c1cc(cc(c1....
13 3P3E - 3P3 C21 H18 N2 O4 C[C@H]([C@....
14 6MO4 ic50 = 4.6 nM JWM C19 H22 N2 O6 S CC(C)([C@@....
15 5N8C - 8Q8 C27 H31 N5 O3 CC(C)([C@@....
16 7K99 - W4M C23 H27 N5 O3 S CS[C@@H](C....
17 5DRQ - 5EM C22 H22 N4 O3 CC(C)([C@@....
18 5U39 - C90 C24 H27 N3 O5 C[C@H]([C@....
19 3U1Y ic50 < 2.13 nM 03I C25 H34 N2 O6 S C[C@@](CCc....
20 7CIB - FYR C13 H10 O3 c1ccc(cc1)....
21 6MOO ic50 = 19 nM A5F C20 H23 N3 O4 CC(C)([C@@....
22 7CIE ic50 = 12.8 uM FZ6 C10 H11 F3 N2 O3 c1cc(cc(c1....
23 4LCF - 1WL C23 H19 N5 O3 c1cc(ccc1C....
24 7CID ic50 = 125 uM FZ3 C12 H13 Cl N2 c1cc(ccc1C....
25 7CI7 ic50 = 0.00603 uM FY9 C26 H32 N2 O5 S CS(=O)(=O)....
26 6MAE Kd = 0.065 nM JBA C19 H22 N2 O6 S C[C@@](C[C....
27 7K9A - W8P C23 H22 N6 O3 S CS[C@H](Cn....
28 6MOD ic50 = 0.71 nM JWV C19 H20 N2 O7 S COC1(CS(=O....
29 3NZK Ki = 0.54 nM C90 C24 H27 N3 O5 C[C@H]([C@....
30 4MQY - UKW C13 H12 N2 O4 C[C@H]([C@....
31 4IS9 - LTF C15 H20 N2 O5 CCCc1cc(cc....
32 3PS1 - UKW C13 H12 N2 O4 C[C@H]([C@....
33 4ISA - GVR C23 H20 N2 O4 S c1ccc2cc(c....
34 3P3G Ki = 0.18 nM 3P3 C21 H18 N2 O4 C[C@H]([C@....
35 3PS2 - UKW C13 H12 N2 O4 C[C@H]([C@....
36 3PS3 - L53 C21 H17 N3 O4 C[C@@H]([C....
50% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3UHM ic50 = 3.6 nM RFN C17 H20 N2 O5 S C[C@@](CCN....
2 7CI4 ic50 = 8.97 uM FXU C12 H15 F3 N2 O4 S CS(=O)(=O)....
3 4LCH - 1WN C27 H23 N3 O5 C[C@](c1cc....
4 5U3B ic50 = 1.5 nM 7TD C16 H21 N3 O4 CC#CCOc1cc....
5 7CI9 ic50 = 20 nM FYL C21 H24 N4 O5 C[C@@H](c1....
6 7CI5 ic50 = 5.69 uM FXX C11 H11 F3 N2 O4 c1cc(cc(c1....
7 6MO5 ic50 = 0.3 nM JWP C22 H26 N2 O7 S CC(C)([C@@....
8 4J3D ic50 = 5.3 nM 1JS C23 H25 N3 O5 c1ccc(cc1)....
9 2VES - GVR C23 H20 N2 O4 S c1ccc2cc(c....
10 5DRR - 5EN C22 H19 F2 N3 O4 C[C@]([C@@....
11 4LCG - 1WM C26 H21 N3 O5 c1cc(ccc1C....
12 7CIC ic50 = 54.9 uM FZ0 C9 H9 F3 N2 O2 c1cc(cc(c1....
13 3P3E - 3P3 C21 H18 N2 O4 C[C@H]([C@....
14 6MO4 ic50 = 4.6 nM JWM C19 H22 N2 O6 S CC(C)([C@@....
15 5N8C - 8Q8 C27 H31 N5 O3 CC(C)([C@@....
16 7K99 - W4M C23 H27 N5 O3 S CS[C@@H](C....
17 5DRQ - 5EM C22 H22 N4 O3 CC(C)([C@@....
18 5U39 - C90 C24 H27 N3 O5 C[C@H]([C@....
19 3U1Y ic50 < 2.13 nM 03I C25 H34 N2 O6 S C[C@@](CCc....
20 7CIB - FYR C13 H10 O3 c1ccc(cc1)....
21 6MOO ic50 = 19 nM A5F C20 H23 N3 O4 CC(C)([C@@....
22 7CIE ic50 = 12.8 uM FZ6 C10 H11 F3 N2 O3 c1cc(cc(c1....
23 4LCF - 1WL C23 H19 N5 O3 c1cc(ccc1C....
24 7CID ic50 = 125 uM FZ3 C12 H13 Cl N2 c1cc(ccc1C....
25 7CI7 ic50 = 0.00603 uM FY9 C26 H32 N2 O5 S CS(=O)(=O)....
26 6MAE Kd = 0.065 nM JBA C19 H22 N2 O6 S C[C@@](C[C....
27 7K9A - W8P C23 H22 N6 O3 S CS[C@H](Cn....
28 6MOD ic50 = 0.71 nM JWV C19 H20 N2 O7 S COC1(CS(=O....
29 5DRP - 5EP C23 H23 N3 O3 CC[C@H](C)....
30 4U3D - 3BX C26 H30 N2 O5 c1cc(ccc1C....
31 5U86 - 81V C25 H27 F2 N3 O5 C[C@]([C@@....
32 4U3B - 3BW C19 H20 Cl N O4 S c1cc(ccc1O....
33 5DRO - ZH2 C21 H19 N3 O4 C[C@H]([C@....
34 2J65 - MYR C14 H28 O2 CCCCCCCCCC....
35 3P3C - 3P3 C21 H18 N2 O4 C[C@H]([C@....
36 1P42 - MYR C14 H28 O2 CCCCCCCCCC....
37 3P76 - P76 C24 H27 N3 O4 C[C@H]([C@....
38 2O3Z Kd = 2 uM AI7 C14 H20 O3 CCCCCCCOc1....
39 3NZK Ki = 0.54 nM C90 C24 H27 N3 O5 C[C@H]([C@....
40 4MQY - UKW C13 H12 N2 O4 C[C@H]([C@....
41 4IS9 - LTF C15 H20 N2 O5 CCCc1cc(cc....
42 3PS1 - UKW C13 H12 N2 O4 C[C@H]([C@....
43 4ISA - GVR C23 H20 N2 O4 S c1ccc2cc(c....
44 3P3G Ki = 0.18 nM 3P3 C21 H18 N2 O4 C[C@H]([C@....
45 3PS2 - UKW C13 H12 N2 O4 C[C@H]([C@....
46 3PS3 - L53 C21 H17 N3 O4 C[C@@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FYR; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 FYR 1 1
2 BP7 0.5 0.72
3 5P3 0.423077 0.821429
4 DOB 0.418605 0.833333
5 BHA 0.4 0.645161
Similar Ligands (3D)
Ligand no: 1; Ligand: FYR; Similar ligands found: 546
No: Ligand Similarity coefficient
1 6P3 0.9778
2 PQM 0.9721
3 7EH 0.9708
4 PQS 0.9664
5 4FC 0.9617
6 LR8 0.9611
7 VC3 0.9587
8 S0D 0.9584
9 QME 0.9576
10 0OK 0.9574
11 P4T 0.9570
12 KF5 0.9528
13 0SY 0.9522
14 ZRK 0.9512
15 L2K 0.9508
16 9JT 0.9502
17 4CN 0.9498
18 JAH 0.9484
19 SWX 0.9475
20 3VS 0.9471
21 6DQ 0.9460
22 TID 0.9453
23 92O 0.9446
24 XCG 0.9443
25 8D6 0.9442
26 OLU 0.9441
27 F40 0.9439
28 9FH 0.9437
29 FZM 0.9431
30 C4E 0.9428
31 7AP 0.9415
32 BIO 0.9411
33 5B2 0.9403
34 363 0.9392
35 2D2 0.9392
36 H4B 0.9389
37 JMG 0.9381
38 5E5 0.9378
39 833 0.9372
40 X48 0.9372
41 TMG 0.9370
42 72D 0.9365
43 1A5 0.9363
44 ZTW 0.9354
45 6H2 0.9342
46 0UL 0.9342
47 AVX 0.9341
48 7L4 0.9339
49 6SD 0.9334
50 397 0.9322
51 613 0.9313
52 4GU 0.9311
53 WA1 0.9304
54 ZRL 0.9303
55 5VU 0.9298
56 3F4 0.9291
57 EES 0.9289
58 80G 0.9287
59 RGK 0.9286
60 LR2 0.9285
61 ZSP 0.9283
62 2QV 0.9283
63 SZ5 0.9282
64 QIV 0.9282
65 2J1 0.9281
66 4FF 0.9280
67 47V 0.9279
68 CBE 0.9279
69 NKI 0.9276
70 P4L 0.9274
71 5OR 0.9269
72 AP6 0.9267
73 FMQ 0.9267
74 54E 0.9266
75 H75 0.9259
76 OA4 0.9255
77 25F 0.9248
78 MR4 0.9247
79 2QU 0.9247
80 WCU 0.9247
81 KLS 0.9243
82 3D8 0.9234
83 4FE 0.9233
84 2P3 0.9228
85 2JX 0.9226
86 0DF 0.9223
87 DFL 0.9214
88 AWE 0.9208
89 F4K 0.9208
90 FCW 0.9203
91 E6Q 0.9203
92 ZZA 0.9203
93 8V8 0.9201
94 GEN 0.9194
95 2GQ 0.9191
96 7G0 0.9189
97 PRL 0.9183
98 4G2 0.9180
99 G14 0.9179
100 WLH 0.9179
101 MR6 0.9175
102 MR5 0.9175
103 LZ5 0.9174
104 9CE 0.9172
105 H2B 0.9172
106 5TT 0.9171
107 26C 0.9168
108 FHV 0.9166
109 120 0.9165
110 BX4 0.9161
111 0FR 0.9160
112 ODK 0.9160
113 C53 0.9159
114 5NN 0.9159
115 NYJ 0.9156
116 20D 0.9155
117 HBI 0.9155
118 UAY 0.9153
119 3VX 0.9150
120 1V1 0.9150
121 EQW 0.9150
122 3Y7 0.9149
123 4AB 0.9149
124 FY8 0.9147
125 LJ3 0.9140
126 57D 0.9136
127 KW7 0.9135
128 PIQ 0.9134
129 SNV 0.9132
130 A9B 0.9128
131 NDD 0.9122
132 DHC 0.9120
133 1EB 0.9113
134 A73 0.9099
135 Y0V 0.9099
136 M4N 0.9098
137 NY4 0.9097
138 N91 0.9096
139 4AU 0.9095
140 E3X 0.9094
141 RA7 0.9093
142 G2V 0.9089
143 789 0.9089
144 LOT 0.9089
145 28A 0.9085
146 1HP 0.9085
147 H35 0.9077
148 1DR 0.9077
149 DXK 0.9076
150 BGU 0.9076
151 NQ7 0.9074
152 Q0K 0.9074
153 0NJ 0.9072
154 KLE 0.9070
155 5H6 0.9069
156 5TU 0.9068
157 92G 0.9067
158 3VQ 0.9066
159 38E 0.9065
160 1V3 0.9063
161 72E 0.9062
162 NE2 0.9056
163 EI1 0.9056
164 2QC 0.9049
165 AJ4 0.9048
166 1Q4 0.9046
167 ERZ 0.9046
168 A5Q 0.9044
169 22T 0.9043
170 9NB 0.9039
171 47X 0.9039
172 OQC 0.9038
173 6BK 0.9037
174 3JC 0.9037
175 6FB 0.9035
176 7FZ 0.9034
177 J1K 0.9034
178 CHQ 0.9033
179 1V4 0.9032
180 TR4 0.9031
181 5S9 0.9027
182 RKV 0.9025
183 7EL 0.9024
184 1FE 0.9024
185 II4 0.9021
186 3GX 0.9021
187 3UG 0.9020
188 68B 0.9020
189 XYP XYP 0.9019
190 2PV 0.9019
191 EAT 0.9019
192 D64 0.9017
193 DAH 0.9015
194 B1J 0.9015
195 4I8 0.9013
196 DDC 0.9013
197 HRM 0.9010
198 4ZF 0.9010
199 A51 0.9010
200 5AD 0.9009
201 YE6 0.9009
202 SOJ 0.9008
203 RKN 0.9007
204 MJW 0.9005
205 2WU 0.9003
206 FER 0.9002
207 AOY 0.8999
208 7G2 0.8999
209 BHS 0.8999
210 3L1 0.8996
211 BFL 0.8993
212 GO8 0.8991
213 CDJ 0.8991
214 S60 0.8986
215 1XS 0.8984
216 F02 0.8984
217 697 0.8981
218 6QT 0.8979
219 FLP 0.8979
220 AGI 0.8971
221 8M5 0.8970
222 NIF 0.8964
223 CPZ 0.8963
224 3D3 0.8961
225 HH6 0.8957
226 ITE 0.8956
227 WV7 0.8956
228 DX7 0.8950
229 3AK 0.8948
230 F18 0.8945
231 657 0.8944
232 JCZ 0.8943
233 X6W 0.8942
234 S98 0.8941
235 U13 0.8940
236 MXD 0.8939
237 JA5 0.8939
238 Q11 0.8937
239 XYS XYS 0.8934
240 SQM 0.8933
241 08C 0.8932
242 LL1 0.8931
243 M3W 0.8930
244 D25 0.8930
245 A5E 0.8927
246 36Y 0.8927
247 91F 0.8924
248 SNU 0.8924
249 L15 0.8923
250 VT3 0.8921
251 15Q 0.8920
252 PLP 0.8920
253 2PK 0.8916
254 2L1 0.8915
255 A6W 0.8914
256 D9Z 0.8914
257 0K7 0.8913
258 XDL XYP 0.8913
259 HNT 0.8910
260 3WL 0.8910
261 ZHA 0.8907
262 LWS 0.8907
263 LJ2 0.8906
264 CC5 0.8905
265 51Y 0.8904
266 7MW 0.8904
267 KYN 0.8903
268 BZQ 0.8902
269 H2W 0.8900
270 ZAR 0.8899
271 ALE 0.8898
272 MSR 0.8898
273 5TO 0.8898
274 PTB 0.8896
275 28B 0.8893
276 LU2 0.8892
277 8CC 0.8891
278 E9L 0.8890
279 W8L 0.8889
280 3VW 0.8885
281 P2L 0.8885
282 8NB 0.8885
283 SYD 0.8881
284 NAG 0.8879
285 G6P 0.8876
286 3D1 0.8875
287 5V7 0.8875
288 LUM 0.8874
289 9H2 0.8874
290 O9T 0.8873
291 LIG 0.8871
292 Q4G 0.8870
293 1BW 0.8870
294 LI7 0.8869
295 27F 0.8867
296 CUH 0.8866
297 WS7 0.8865
298 K3D 0.8864
299 4HB 0.8861
300 4NP 0.8860
301 FF2 0.8860
302 UN3 0.8857
303 6Q3 0.8856
304 EE8 0.8853
305 GVY 0.8852
306 PCQ 0.8852
307 GJK 0.8851
308 0X2 0.8847
309 MMJ 0.8846
310 ZEA 0.8841
311 CG 0.8840
312 ESE 0.8840
313 P81 0.8839
314 42R 0.8838
315 3WK 0.8837
316 FCD 0.8834
317 0NX 0.8833
318 LVY 0.8832
319 PNP 0.8830
320 5ZM 0.8826
321 IDZ 0.8825
322 O9Q 0.8823
323 DFV 0.8822
324 EV2 0.8820
325 RYV 0.8817
326 BBY 0.8817
327 50C 0.8816
328 A63 0.8816
329 SOV 0.8815
330 CUQ 0.8814
331 NAR 0.8812
332 X0T 0.8811
333 3CA 0.8810
334 4R1 0.8807
335 6HP 0.8804
336 M28 0.8804
337 5WK 0.8801
338 MI2 0.8801
339 ADN 0.8799
340 DX2 0.8797
341 4F8 0.8797
342 WG8 0.8797
343 K7H 0.8796
344 CWE 0.8795
345 1FL 0.8794
346 1R5 0.8792
347 K4V 0.8792
348 PUE 0.8791
349 TYR 0.8789
350 5SJ 0.8789
351 97K 0.8788
352 6L6 0.8788
353 TJM 0.8788
354 1ZC 0.8784
355 7ZL 0.8782
356 O9Z 0.8782
357 OUA 0.8779
358 5TZ 0.8779
359 NK5 0.8778
360 OA1 0.8776
361 NU3 0.8775
362 AU8 0.8774
363 1Z6 0.8771
364 2FX 0.8769
365 KWB 0.8768
366 JBZ 0.8767
367 EAE 0.8766
368 4MB 0.8766
369 3DE 0.8766
370 5WT 0.8765
371 9KZ 0.8764
372 OUG 0.8763
373 5FL 0.8763
374 A5P 0.8761
375 8NX 0.8759
376 6HO 0.8759
377 LJ1 0.8757
378 12T 0.8756
379 D26 0.8753
380 4NS 0.8752
381 7LU 0.8750
382 6WL 0.8750
383 QC1 0.8747
384 A6Z 0.8745
385 C0H 0.8744
386 72G 0.8742
387 4L2 0.8740
388 1KN 0.8739
389 A9K 0.8739
390 DT7 0.8736
391 CL9 0.8730
392 VJJ 0.8730
393 JGB 0.8729
394 JTE 0.8729
395 W29 0.8728
396 6ZW 0.8727
397 23M 0.8726
398 BIH 0.8726
399 205 0.8723
400 HRD 0.8722
401 QBP 0.8721
402 J84 0.8721
403 6C5 0.8720
404 94X 0.8720
405 801 0.8719
406 RVE 0.8717
407 6WR 0.8716
408 A05 0.8716
409 5F1 0.8716
410 L3L 0.8716
411 5TY 0.8716
412 CXH 0.8712
413 PH3 0.8712
414 V1T 0.8711
415 8HH 0.8710
416 GO2 0.8710
417 244 0.8709
418 OSY 0.8708
419 FMC 0.8708
420 WS6 0.8707
421 HFT 0.8706
422 54X 0.8705
423 SJK 0.8702
424 N7I 0.8702
425 0OO 0.8702
426 VFM 0.8699
427 J38 0.8698
428 NFZ 0.8696
429 VGS 0.8696
430 I2E 0.8693
431 5F8 0.8692
432 MUK 0.8691
433 6MW 0.8691
434 ANC 0.8690
435 HO6 0.8689
436 J27 0.8688
437 BG6 0.8687
438 XYS XYP 0.8685
439 5XM 0.8685
440 UL1 0.8684
441 1UZ 0.8682
442 90M 0.8681
443 27K 0.8681
444 2M7 0.8680
445 5CK 0.8679
446 CR4 0.8678
447 GDL 0.8678
448 7O4 0.8678
449 BPY 0.8677
450 XDK 0.8676
451 A 0.8675
452 M78 0.8675
453 PZ8 0.8672
454 HNK 0.8670
455 ZYQ 0.8669
456 PH2 0.8668
457 NRA 0.8668
458 6QF 0.8665
459 F4E 0.8665
460 JY2 0.8664
461 121 0.8664
462 TES 0.8664
463 GLP 0.8663
464 SQ4 0.8663
465 5GV 0.8663
466 S0A 0.8663
467 MMS 0.8662
468 BZE 0.8657
469 HWB 0.8652
470 9ZE 0.8652
471 1OT 0.8649
472 7D7 0.8648
473 BMZ 0.8644
474 CH9 0.8644
475 4XF 0.8643
476 3AD 0.8640
477 3R4 0.8638
478 344 0.8638
479 0FK 0.8636
480 L13 0.8636
481 LFN 0.8635
482 5FD 0.8633
483 2O8 0.8630
484 XI7 0.8630
485 TYP 0.8625
486 BNL 0.8624
487 S8G 0.8621
488 J3Z 0.8619
489 AJ1 0.8618
490 IS2 0.8616
491 FQX 0.8615
492 JF8 0.8613
493 CIY 0.8612
494 STL 0.8612
495 536 0.8611
496 AN3 0.8611
497 Q9T 0.8610
498 6JO 0.8608
499 6FG 0.8608
500 2B4 0.8605
501 A4N 0.8603
502 0F3 0.8601
503 ESJ 0.8601
504 1VK 0.8600
505 PMP 0.8595
506 K82 0.8595
507 9UL 0.8594
508 C1M 0.8594
509 M3E 0.8593
510 QUE 0.8591
511 NIY 0.8590
512 428 0.8590
513 MKN 0.8589
514 U55 0.8588
515 TCR 0.8588
516 THA 0.8587
517 6VW 0.8586
518 JO5 0.8584
519 H50 0.8584
520 AJD 0.8583
521 5RP 0.8583
522 CC6 0.8582
523 SJR 0.8578
524 IQZ 0.8575
525 HX4 0.8575
526 AMR 0.8574
527 LO1 0.8572
528 JTK 0.8570
529 S0G 0.8567
530 3Q0 0.8565
531 0GA 0.8563
532 BVB 0.8560
533 SQ7 0.8560
534 A2G 0.8558
535 ARP 0.8558
536 N0Z 0.8558
537 HC4 0.8557
538 FHI 0.8557
539 A7H 0.8556
540 A4D 0.8552
541 S0E 0.8549
542 CP6 0.8547
543 A7K 0.8543
544 L22 0.8539
545 TEF 0.8535
546 LFQ 0.8531
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6MAE; Ligand: JBA; 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: 6mae.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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