Receptor
PDB id Resolution Class Description Source Keywords
6TDG 1.74 Å EC: 2.3.1.4 CRYSTAL STRUCTURE OF ASPERGILLUS FUMIGATUS GLUCOSAMINE-6-PHO ACETYLTRANSFERASE 1 IN COMPLEX WITH COMPOUND 2 ASPERGILLUS FUMIGATUS AF293 FRAGMENT SCREENING ANTI FUNGAL ASPERGILLUS FUMIGATUS INHITRANSFERASE
Ref.: TARGETING A CRITICAL STEP IN FUNGAL HEXOSAMINE BIOS J.BIOL.CHEM. V. 295 8678 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:201;
Valid;
none;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
N3W A:202;
Valid;
none;
Kd = 0.8 uM
194.621 C8 H7 Cl N4 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6TDG 1.74 Å EC: 2.3.1.4 CRYSTAL STRUCTURE OF ASPERGILLUS FUMIGATUS GLUCOSAMINE-6-PHO ACETYLTRANSFERASE 1 IN COMPLEX WITH COMPOUND 2 ASPERGILLUS FUMIGATUS AF293 FRAGMENT SCREENING ANTI FUNGAL ASPERGILLUS FUMIGATUS INHITRANSFERASE
Ref.: TARGETING A CRITICAL STEP IN FUNGAL HEXOSAMINE BIOS J.BIOL.CHEM. V. 295 8678 2020
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6TDG Kd = 0.8 uM N3W C8 H7 Cl N4 c1cc(c(c(c....
2 2VXK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 6TDH Kd = 6 uM N2Z C8 H6 Cl N3 c1ccc(c(c1....
4 2VEZ Ki = 2.6 mM G6P C6 H13 O9 P C([C@@H]1[....
5 6TDF Kd = 5 uM N3Q C12 H14 Cl2 N4 O2 c1c(cc(c(c....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6TDG Kd = 0.8 uM N3W C8 H7 Cl N4 c1cc(c(c(c....
2 2VXK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 6TDH Kd = 6 uM N2Z C8 H6 Cl N3 c1ccc(c(c1....
4 2VEZ Ki = 2.6 mM G6P C6 H13 O9 P C([C@@H]1[....
5 6TDF Kd = 5 uM N3Q C12 H14 Cl2 N4 O2 c1c(cc(c(c....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3CXQ - GLP C6 H14 N O8 P C([C@@H]1[....
2 4AG9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 6TDG Kd = 0.8 uM N3W C8 H7 Cl N4 c1cc(c(c(c....
4 2VXK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 6TDH Kd = 6 uM N2Z C8 H6 Cl N3 c1ccc(c(c1....
6 2VEZ Ki = 2.6 mM G6P C6 H13 O9 P C([C@@H]1[....
7 6TDF Kd = 5 uM N3Q C12 H14 Cl2 N4 O2 c1c(cc(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACO; Similar ligands found: 207
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 COS 0.898305 0.944444
4 CAO 0.898305 0.934066
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 1VU 0.885246 0.977528
9 CO6 0.885246 0.988636
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 IVC 0.870968 0.977273
13 MLC 0.870968 0.966292
14 3HC 0.870968 0.977273
15 BCO 0.870968 0.966292
16 1HE 0.870968 0.966667
17 FYN 0.868852 0.965909
18 KFV 0.865079 0.90625
19 COO 0.864 0.966292
20 MCA 0.864 0.977528
21 COK 0.861789 0.944444
22 SCA 0.857143 0.966292
23 YXS 0.857143 0.896907
24 COA 0.857143 0.965909
25 YXR 0.857143 0.896907
26 0T1 0.857143 0.94382
27 DCA 0.855932 0.94382
28 CMC 0.854839 0.944444
29 30N 0.85124 0.885417
30 BYC 0.850394 0.966292
31 IRC 0.850394 0.977273
32 1GZ 0.850394 0.955556
33 COW 0.850394 0.955556
34 HGG 0.850394 0.966292
35 BCA 0.84375 0.955556
36 FAQ 0.84375 0.966292
37 2CP 0.84252 0.955556
38 A1S 0.84127 0.966292
39 ETB 0.840336 0.932584
40 GRA 0.837209 0.966292
41 HXC 0.837209 0.988764
42 AMX 0.836066 0.954545
43 TGC 0.830769 0.955556
44 CMX 0.829268 0.94382
45 SCO 0.829268 0.94382
46 2NE 0.824427 0.945055
47 1CZ 0.824427 0.955556
48 CO8 0.824427 0.988764
49 FAM 0.822581 0.923077
50 FCX 0.822581 0.913043
51 3CP 0.821705 0.944444
52 COF 0.821705 0.923913
53 2KQ 0.821705 0.988764
54 UCC 0.818182 0.988764
55 DCC 0.818182 0.988764
56 5F9 0.818182 0.988764
57 ST9 0.818182 0.988764
58 MFK 0.818182 0.988764
59 MYA 0.818182 0.988764
60 HAX 0.816 0.923077
61 4CA 0.815385 0.934066
62 7L1 0.814516 1
63 CS8 0.80597 0.977778
64 WCA 0.80597 0.945055
65 SCD 0.804688 0.94382
66 KGP 0.80315 0.896907
67 CA6 0.80315 0.896907
68 YZS 0.80315 0.896907
69 MCD 0.80315 0.966292
70 4KX 0.8 0.934783
71 HDC 0.8 0.988764
72 KGJ 0.79845 0.885417
73 CIC 0.796992 0.944444
74 NMX 0.796875 0.875
75 MRS 0.794118 0.988764
76 MRR 0.794118 0.988764
77 0FQ 0.791045 0.944444
78 4CO 0.791045 0.934066
79 CAJ 0.790698 0.944444
80 J5H 0.788321 0.966292
81 YNC 0.788321 0.955556
82 DAK 0.788321 0.934783
83 0ET 0.785185 0.966667
84 01A 0.785185 0.904255
85 8Z2 0.782609 0.977778
86 HFQ 0.781022 0.923913
87 KGA 0.780303 0.876289
88 1CV 0.779412 0.966292
89 YE1 0.778626 0.933333
90 LCV 0.778626 0.887755
91 SO5 0.778626 0.887755
92 UOQ 0.773723 0.966667
93 NHW 0.773723 0.966667
94 NHM 0.773723 0.966667
95 CA8 0.766917 0.877551
96 F8G 0.762238 0.946237
97 1HA 0.760563 0.945055
98 NHQ 0.746479 0.955056
99 S0N 0.744526 0.923077
100 CCQ 0.744526 0.945652
101 01K 0.743056 0.966292
102 COT 0.737931 0.944444
103 CA3 0.727891 0.944444
104 UCA 0.721854 0.988764
105 CO7 0.713235 0.966292
106 CA5 0.703947 0.904255
107 93P 0.699346 0.934066
108 COD 0.692913 0.954545
109 RMW 0.69281 0.945055
110 N9V 0.671329 0.913043
111 93M 0.666667 0.934066
112 5TW 0.656627 0.946237
113 4BN 0.656627 0.946237
114 BUA COA 0.652482 0.933333
115 OXT 0.634731 0.946237
116 COA FLC 0.632353 0.932584
117 6NA COA 0.630137 0.955556
118 HMG 0.62585 0.933333
119 DAO COA 0.61745 0.955556
120 DKA COA 0.61745 0.955556
121 EO3 COA 0.61745 0.955556
122 MYR COA 0.61745 0.955556
123 PLM COA 0.61745 0.955556
124 X90 COA 0.61745 0.955556
125 DCR COA 0.61745 0.955556
126 JBT 0.609195 0.926316
127 BSJ 0.594118 0.913979
128 PAP 0.577586 0.784091
129 ASP ASP ASP ILE NH2 CMC 0.557576 0.902174
130 PPS 0.53719 0.729167
131 RFC 0.53125 0.966667
132 SFC 0.53125 0.966667
133 A3P 0.525862 0.772727
134 ACE SER ASP ALY THR NH2 COA 0.511111 0.923077
135 MET VAL ASN ALA CMC 0.50838 0.923077
136 0WD 0.503497 0.763441
137 5AD NJS 0.479532 0.904255
138 ACE MET LEU GLY PRO NH2 COA 0.466321 0.923077
139 PTJ 0.462687 0.842697
140 3AM 0.461538 0.761364
141 3OD 0.451852 0.797753
142 A22 0.450382 0.786517
143 PUA 0.447368 0.793478
144 A2D 0.446281 0.775281
145 PAJ 0.443609 0.853933
146 HQG 0.442748 0.786517
147 ATR 0.440945 0.772727
148 AGS 0.440945 0.8
149 OAD 0.437037 0.797753
150 9BG 0.436242 0.763441
151 ADP 0.435484 0.795455
152 UBG 0.434524 0.817204
153 A2R 0.431818 0.786517
154 8LE 0.430769 0.820225
155 BA3 0.427419 0.775281
156 9X8 0.426471 0.8
157 NA7 0.426471 0.829545
158 ATP 0.425197 0.795455
159 HEJ 0.425197 0.795455
160 AP5 0.424 0.775281
161 B4P 0.424 0.775281
162 ADQ 0.422222 0.777778
163 AR6 0.421875 0.775281
164 APR 0.421875 0.775281
165 2A5 0.421875 0.818182
166 5FA 0.421875 0.795455
167 AQP 0.421875 0.795455
168 48N 0.42069 0.802198
169 AN2 0.420635 0.786517
170 FYA 0.42029 0.786517
171 JNT 0.419118 0.818182
172 8LQ 0.41791 0.808989
173 QA7 0.41791 0.820225
174 M33 0.417323 0.786517
175 SRP 0.413534 0.808989
176 ANP 0.412214 0.777778
177 YLB 0.412162 0.877778
178 FA5 0.411348 0.788889
179 YLP 0.410959 0.877778
180 ME8 0.410072 0.835165
181 AT4 0.409449 0.808989
182 APU 0.409396 0.76087
183 5AL 0.409091 0.786517
184 7D3 0.408 0.766667
185 F2R 0.407895 0.836957
186 NJP 0.407895 0.78022
187 AD9 0.407692 0.777778
188 25L 0.407143 0.786517
189 CA0 0.40625 0.777778
190 7D4 0.40625 0.766667
191 ATF 0.406015 0.769231
192 A2P 0.404762 0.761364
193 8QN 0.404412 0.786517
194 9ZA 0.404412 0.791209
195 9ZD 0.404412 0.791209
196 LAQ 0.40411 0.815217
197 NDP 0.403974 0.763441
198 KG4 0.403101 0.777778
199 ACP 0.403101 0.797753
200 8LH 0.402985 0.808989
201 ACQ 0.401515 0.797753
202 ATP A A A 0.401408 0.744444
203 ATP A 0.401408 0.744444
204 PAX 0.4 0.768421
205 1ZZ 0.4 0.855556
206 NB8 0.4 0.782609
207 TXA 0.4 0.788889
Ligand no: 2; Ligand: N3W; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 N3W 1 1
2 N2Z 0.44898 0.864865
Similar Ligands (3D)
Ligand no: 1; Ligand: ACO; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: N3W; Similar ligands found: 900
No: Ligand Similarity coefficient
1 52C 0.9748
2 J9Q 0.9693
3 97T 0.9671
4 L5V 0.9649
5 BPY 0.9647
6 R20 0.9638
7 HQJ 0.9634
8 6TZ 0.9599
9 AY4 0.9594
10 CH9 0.9539
11 PJW 0.9530
12 1WC 0.9518
13 DC5 0.9518
14 0F9 0.9491
15 PIM 0.9490
16 XDK 0.9489
17 JRB 0.9487
18 PIY 0.9458
19 Z5P 0.9443
20 F69 0.9419
21 BP3 0.9414
22 GF4 0.9412
23 ONR 0.9410
24 MPV 0.9407
25 MSR 0.9401
26 0W1 0.9386
27 2F6 0.9369
28 MPK 0.9358
29 5RO 0.9356
30 TZF 0.9349
31 46P 0.9349
32 DHB 0.9347
33 BNL 0.9346
34 2ZM 0.9340
35 3A9 0.9338
36 6J9 0.9338
37 M1Z 0.9332
38 CPZ 0.9332
39 IWT 0.9331
40 B4O 0.9321
41 6XI 0.9319
42 ICB 0.9318
43 0BP 0.9317
44 5NI 0.9303
45 M3H 0.9301
46 SNU 0.9293
47 BZ2 0.9290
48 9FL 0.9288
49 GVG 0.9283
50 BEA 0.9280
51 EXD 0.9279
52 7VP 0.9276
53 977 0.9269
54 B2Y 0.9268
55 L99 0.9268
56 INO 0.9264
57 36Y 0.9263
58 HX4 0.9258
59 8WO 0.9258
60 8NX 0.9256
61 93K 0.9255
62 A29 0.9249
63 4P5 0.9245
64 1F1 0.9245
65 54X 0.9243
66 5VL 0.9242
67 0HO 0.9240
68 KTA 0.9237
69 1A7 0.9237
70 J9T 0.9237
71 A1Y 0.9236
72 M5H 0.9233
73 209 0.9230
74 X0V 0.9224
75 15N 0.9218
76 GZL 0.9218
77 P9P 0.9217
78 3FH 0.9217
79 6FZ 0.9214
80 6NI 0.9213
81 L13 0.9211
82 M3E 0.9211
83 DHK 0.9201
84 GCU 0.9198
85 0HN 0.9194
86 3HA 0.9193
87 4NC 0.9193
88 6RQ 0.9188
89 XFE 0.9186
90 JF6 0.9185
91 9TW 0.9182
92 QSB 0.9182
93 HQD 0.9182
94 36E 0.9181
95 JAW 0.9181
96 JG8 0.9180
97 0JD 0.9180
98 23J 0.9178
99 57O 0.9175
100 DNF 0.9175
101 MYJ 0.9173
102 LNR 0.9173
103 92K 0.9172
104 AOT 0.9171
105 BDP 0.9170
106 428 0.9170
107 JTH 0.9169
108 AX3 0.9167
109 2AL 0.9165
110 VNL 0.9165
111 12T 0.9164
112 GDE 0.9162
113 VXX 0.9161
114 3NY 0.9158
115 IJZ 0.9156
116 ISZ 0.9154
117 NCT 0.9153
118 JR2 0.9151
119 6NT 0.9150
120 IHB 0.9149
121 PRZ 0.9148
122 DBH 0.9148
123 92P 0.9145
124 4XS 0.9139
125 LL1 0.9133
126 069 0.9132
127 UFV 0.9132
128 LT8 0.9132
129 GJP 0.9127
130 HNH 0.9126
131 HNL 0.9125
132 CHB 0.9124
133 9KH 0.9121
134 4SX 0.9119
135 4V2 0.9117
136 2HC 0.9117
137 URC 0.9116
138 SHA 0.9115
139 293 0.9115
140 R9Y 0.9113
141 173 0.9111
142 5GU 0.9108
143 D3G 0.9106
144 ICO 0.9103
145 TT4 0.9102
146 C1M 0.9101
147 L22 0.9101
148 R9S 0.9101
149 IV2 0.9100
150 NNO 0.9099
151 PPY 0.9097
152 FHB 0.9096
153 BP7 0.9095
154 45L 0.9095
155 CK2 0.9094
156 BZE 0.9092
157 505 0.9092
158 TZM 0.9089
159 4ME 0.9087
160 6ME 0.9086
161 ES2 0.9085
162 4A3 0.9084
163 BHO 0.9083
164 KYA 0.9081
165 HDH 0.9081
166 J9N 0.9081
167 BPS 0.9080
168 3PF 0.9080
169 XX2 0.9079
170 8OZ 0.9078
171 2O6 0.9077
172 KTJ 0.9076
173 K5W 0.9074
174 4WL 0.9074
175 HHH 0.9073
176 CN0 0.9072
177 ET2 0.9072
178 X48 0.9072
179 EN1 0.9071
180 MQB 0.9071
181 FOT 0.9070
182 8NB 0.9068
183 R2P 0.9067
184 60Q 0.9065
185 P7Y 0.9061
186 SAF 0.9061
187 FK8 0.9060
188 4FH 0.9060
189 H33 0.9059
190 7MU 0.9057
191 5QY 0.9056
192 363 0.9055
193 CFA 0.9054
194 9FE 0.9053
195 DEE 0.9052
196 NAG 0.9052
197 KJU 0.9052
198 K34 0.9051
199 6DP 0.9051
200 OMD 0.9051
201 QX4 0.9050
202 HIS 0.9049
203 ZYR 0.9048
204 UNJ 0.9048
205 CLU 0.9046
206 QSH 0.9046
207 27B 0.9045
208 GJZ 0.9044
209 8HC 0.9042
210 2CL 0.9041
211 44V 0.9041
212 ODO 0.9040
213 TWO 0.9037
214 RUY 0.9037
215 IFP 0.9037
216 B62 0.9036
217 FBB 0.9035
218 ESP 0.9035
219 ESI 0.9034
220 GTR 0.9033
221 92G 0.9033
222 2CZ 0.9033
223 PHU 0.9032
224 CTS 0.9032
225 O2A 0.9030
226 IAC 0.9028
227 7ME 0.9027
228 TTY 0.9027
229 LYL 0.9026
230 LEL 0.9025
231 5XC 0.9025
232 22L 0.9024
233 NIZ 0.9023
234 E1T 0.9022
235 CLW 0.9021
236 EVA 0.9021
237 M45 0.9019
238 HA5 0.9018
239 F4K 0.9018
240 FGZ 0.9018
241 4JQ 0.9015
242 5RN 0.9015
243 GZ2 0.9015
244 GCB 0.9014
245 DHY 0.9013
246 4ZA 0.9012
247 E7S 0.9012
248 SKM 0.9011
249 K2T 0.9011
250 9FH 0.9010
251 D48 0.9010
252 PH2 0.9010
253 BGC 0.9008
254 F31 0.9008
255 AMQ 0.9007
256 JLZ 0.9006
257 GNM 0.9005
258 OTR 0.9004
259 RAT 0.9003
260 4BL 0.9003
261 VM1 0.9003
262 GAB 0.9001
263 4AA 0.9001
264 APS 0.9001
265 SV4 0.9000
266 8GK 0.8999
267 PQK 0.8999
268 1M2 0.8999
269 9UL 0.8999
270 NVU 0.8998
271 F4E 0.8998
272 1XA 0.8995
273 J6W 0.8994
274 QZ8 0.8993
275 K3Q 0.8992
276 YPN 0.8991
277 4BY 0.8990
278 C9E 0.8990
279 1P8 0.8990
280 XIZ 0.8990
281 4Z4 0.8990
282 2HO 0.8989
283 TYL 0.8989
284 APZ 0.8989
285 I1E 0.8987
286 HNQ 0.8987
287 M4E 0.8986
288 IOS 0.8986
289 M4T 0.8986
290 GLC 0.8985
291 3OC 0.8985
292 G3E 0.8985
293 EKZ 0.8985
294 36R 0.8981
295 OA3 0.8981
296 4KL 0.8980
297 FTV 0.8980
298 ABI 0.8979
299 S2G 0.8977
300 A5E 0.8976
301 DIN 0.8974
302 3C4 0.8974
303 CLZ 0.8974
304 5OB 0.8973
305 344 0.8973
306 ADA 0.8972
307 3AB 0.8970
308 1Z6 0.8969
309 LDP 0.8966
310 PNZ 0.8966
311 PQ0 0.8966
312 2LY 0.8966
313 8WT 0.8964
314 ORO 0.8964
315 EWG 0.8963
316 E7Z 0.8963
317 NDG 0.8962
318 3F0 0.8962
319 2D0 0.8961
320 JP2 0.8961
321 STT 0.8960
322 HHS 0.8960
323 A7W 0.8959
324 2JM 0.8958
325 CK1 0.8958
326 AKG 0.8958
327 3ZB 0.8958
328 4RU 0.8957
329 0N7 0.8956
330 5QX 0.8956
331 SJ5 0.8956
332 0NX 0.8955
333 GV9 0.8952
334 DNA 0.8952
335 A9P 0.8951
336 BY5 0.8951
337 MS9 0.8951
338 DOR 0.8950
339 HHI 0.8950
340 DHI 0.8950
341 1FF 0.8948
342 XQI 0.8947
343 PAC 0.8947
344 OGA 0.8947
345 PRF 0.8944
346 3HB 0.8943
347 H42 0.8943
348 2HU 0.8942
349 HKD 0.8941
350 C2Y 0.8941
351 61O 0.8941
352 4LV 0.8941
353 3M0 0.8940
354 5WU 0.8940
355 QBK 0.8939
356 PO6 0.8939
357 DEW 0.8938
358 75K 0.8936
359 PHB 0.8935
360 F12 0.8935
361 ASC 0.8935
362 F52 0.8933
363 LQ2 0.8933
364 DNC 0.8933
365 FHC 0.8932
366 4XF 0.8931
367 FBM 0.8928
368 Q6T 0.8927
369 61M 0.8926
370 ES0 0.8925
371 JA8 0.8925
372 3AL 0.8925
373 G3F 0.8925
374 S0G 0.8924
375 8TX 0.8924
376 2FQ 0.8923
377 1L5 0.8922
378 E5X 0.8922
379 T2D 0.8921
380 FA3 0.8920
381 NPO 0.8920
382 9CA 0.8919
383 692 0.8919
384 3Y7 0.8919
385 2D3 0.8919
386 53C 0.8918
387 1QP 0.8917
388 MAJ 0.8915
389 X11 0.8914
390 EVF 0.8914
391 GDL 0.8914
392 JND 0.8913
393 1IT 0.8911
394 SE2 0.8911
395 5F5 0.8910
396 15L 0.8909
397 JDN 0.8909
398 B57 0.8909
399 FMQ 0.8908
400 P80 0.8908
401 F9P 0.8906
402 TCA 0.8906
403 51R 0.8906
404 LAO 0.8905
405 4LW 0.8905
406 SYA 0.8903
407 8D6 0.8902
408 GCS 0.8902
409 PH3 0.8901
410 TAG 0.8901
411 1VK 0.8901
412 HBD 0.8901
413 CWM 0.8899
414 7MX 0.8899
415 8CM 0.8899
416 2K8 0.8899
417 AN3 0.8898
418 KDG 0.8897
419 DI6 0.8897
420 BZJ 0.8897
421 2FY 0.8897
422 LI6 0.8895
423 3ID 0.8894
424 BZ3 0.8894
425 12Q 0.8894
426 XQK 0.8892
427 TQU 0.8892
428 GLN 0.8890
429 JKE 0.8889
430 HNK 0.8889
431 5NS 0.8889
432 FA1 0.8888
433 7I2 0.8888
434 K32 0.8887
435 TSS 0.8887
436 42C 0.8886
437 FE DB1 0.8885
438 SG2 0.8883
439 HHA 0.8883
440 MRW 0.8882
441 RKV 0.8882
442 3HM 0.8881
443 34D 0.8881
444 56D 0.8881
445 HFA 0.8880
446 492 0.8879
447 Q88 0.8879
448 FA0 0.8879
449 9PY 0.8878
450 PAB 0.8878
451 D1X 0.8876
452 7WR 0.8875
453 HC4 0.8875
454 6KT 0.8875
455 MOK 0.8873
456 TPA 0.8873
457 CFI 0.8872
458 ROI 0.8872
459 EV0 0.8871
460 DQU 0.8870
461 KJH 0.8870
462 M2K 0.8869
463 K7M 0.8869
464 2EC 0.8868
465 SKA 0.8868
466 GLU 0.8867
467 AIN 0.8867
468 4XV 0.8867
469 KF5 0.8867
470 FCR 0.8866
471 94W 0.8866
472 268 0.8864
473 A13 0.8863
474 BGU 0.8863
475 DIU 0.8862
476 SYV 0.8860
477 PHE 0.8859
478 MXD 0.8859
479 QMS 0.8859
480 5VM 0.8859
481 J5I 0.8858
482 261 0.8858
483 1Y6 0.8856
484 AA 0.8855
485 PBZ 0.8854
486 S2P 0.8853
487 XHP 0.8852
488 AVI 0.8852
489 PZI 0.8852
490 DMD 0.8851
491 NOJ 0.8851
492 9KT 0.8850
493 X6P 0.8850
494 FDR 0.8849
495 SAL 0.8849
496 6VD 0.8848
497 8XQ 0.8848
498 JBK 0.8846
499 9R5 0.8845
500 FP1 0.8845
501 SBK 0.8843
502 PEY 0.8843
503 DX3 0.8843
504 AMH 0.8841
505 THA 0.8841
506 RMN 0.8841
507 HJH 0.8841
508 7W1 0.8840
509 BE2 0.8839
510 AX7 0.8839
511 3IT 0.8839
512 EGR 0.8838
513 TEP 0.8836
514 4TU 0.8835
515 KMY 0.8835
516 OVV 0.8835
517 AZ9 0.8833
518 SRO 0.8833
519 NOK 0.8832
520 XCG 0.8831
521 PD2 0.8831
522 5NE 0.8831
523 BP6 0.8830
524 TYR 0.8830
525 TGX 0.8830
526 X0W 0.8830
527 4HC 0.8830
528 5CU 0.8829
529 BTY 0.8829
530 FBU 0.8828
531 AVA 0.8827
532 HBO 0.8827
533 270 0.8826
534 FUD 0.8825
535 YIE 0.8825
536 ANN 0.8825
537 XAZ 0.8825
538 FDB 0.8825
539 HQT 0.8825
540 XXG 0.8824
541 5JQ 0.8824
542 TMG 0.8823
543 GZQ 0.8823
544 MNP 0.8823
545 8XL 0.8822
546 DPN 0.8820
547 EYV 0.8820
548 PDC 0.8819
549 GRO 0.8817
550 NGO 0.8817
551 RHU 0.8816
552 795 0.8816
553 68A 0.8815
554 DQA 0.8813
555 ZXD 0.8812
556 XIY 0.8810
557 N2M 0.8809
558 6HX 0.8809
559 GAL 0.8809
560 ENO 0.8809
561 7O4 0.8808
562 LR5 0.8808
563 MQN 0.8808
564 B55 0.8808
565 URS 0.8808
566 H5B 0.8807
567 463 0.8806
568 S7J 0.8805
569 I3A 0.8805
570 OW4 0.8804
571 SHI 0.8804
572 ALE 0.8804
573 AMS 0.8803
574 C53 0.8803
575 3HP 0.8802
576 4CS 0.8801
577 4M0 0.8801
578 NMJ 0.8799
579 DTY 0.8798
580 4I8 0.8798
581 OQC 0.8798
582 3AE 0.8797
583 1HN 0.8796
584 44W 0.8795
585 2JK 0.8794
586 NFA 0.8794
587 3U4 0.8792
588 AEG 0.8792
589 DHS 0.8792
590 ABV 0.8792
591 49N 0.8790
592 4NB 0.8790
593 3BU 0.8789
594 NDH 0.8789
595 MUA 0.8787
596 3SK 0.8785
597 9H2 0.8784
598 E35 0.8783
599 258 0.8783
600 QPR 0.8783
601 HL4 0.8782
602 CTL 0.8782
603 BQ5 0.8782
604 FBW 0.8780
605 2KU 0.8780
606 0FO 0.8779
607 BNF 0.8779
608 PBQ 0.8779
609 SNO 0.8778
610 NQH 0.8778
611 T9G 0.8778
612 OCH 0.8776
613 5F8 0.8776
614 RNO 0.8775
615 YZM 0.8774
616 7WV 0.8773
617 NLA 0.8772
618 DHR 0.8771
619 H70 0.8771
620 ARP 0.8769
621 LGC 0.8768
622 5FL 0.8766
623 L46 0.8765
624 3NT 0.8765
625 QWW 0.8764
626 EA1 0.8764
627 CFF 0.8763
628 C2U 0.8763
629 8GC 0.8763
630 CWJ 0.8762
631 PFL 0.8762
632 AKH 0.8761
633 TRP 0.8761
634 NGA 0.8760
635 3VX 0.8760
636 QX2 0.8759
637 6QF 0.8758
638 OVM 0.8758
639 AJV 0.8756
640 V55 0.8756
641 717 0.8756
642 SHG 0.8755
643 GCO 0.8755
644 TSU 0.8754
645 0LO 0.8753
646 J9W 0.8753
647 HHT 0.8753
648 82I 0.8752
649 HJP 0.8751
650 NBG 0.8751
651 4HM 0.8750
652 QMP 0.8749
653 GHM 0.8748
654 EOL 0.8748
655 HCI 0.8748
656 6PB 0.8748
657 2ZQ 0.8748
658 5LA 0.8745
659 QWN 0.8744
660 VNJ 0.8743
661 S60 0.8743
662 AJ2 0.8743
663 KT7 0.8742
664 VK3 0.8741
665 I3E 0.8740
666 15E 0.8740
667 KOJ 0.8738
668 ASO 0.8738
669 4MA 0.8738
670 UAN 0.8738
671 EMZ 0.8737
672 N1E 0.8735
673 5JL 0.8735
674 LJ3 0.8735
675 RSO 0.8734
676 LIP 0.8734
677 ANF 0.8734
678 50C 0.8734
679 8GL 0.8733
680 Q24 0.8733
681 ANC 0.8732
682 2QC 0.8732
683 67N 0.8732
684 SMN 0.8732
685 2H5 0.8731
686 HA7 0.8731
687 DOB 0.8731
688 QY9 0.8730
689 WCE 0.8730
690 FWD 0.8730
691 ZZZ 0.8729
692 K22 0.8729
693 YRL 0.8728
694 TYE 0.8727
695 FLV 0.8727
696 37T 0.8726
697 BEN 0.8725
698 SW7 0.8725
699 NDM 0.8723
700 OHP 0.8722
701 2HG 0.8722
702 K25 0.8721
703 COU 0.8720
704 5TY 0.8719
705 AEF 0.8719
706 86J 0.8718
707 KG1 0.8718
708 L14 0.8717
709 HXX 0.8717
710 P72 0.8717
711 KFH 0.8716
712 NCV 0.8716
713 INE 0.8716
714 2KA 0.8716
715 JZA 0.8716
716 QIC 0.8713
717 NCD 0.8712
718 FBS 0.8712
719 DDU 0.8712
720 DPT 0.8711
721 NID 0.8709
722 UN1 0.8708
723 BHA 0.8708
724 NFM 0.8707
725 DGL 0.8707
726 BEZ 0.8705
727 KP2 0.8704
728 SQ7 0.8704
729 M5K 0.8703
730 B40 0.8700
731 549 0.8699
732 SD4 0.8699
733 1BN 0.8698
734 ZZA 0.8698
735 SAN 0.8698
736 A2G 0.8697
737 L7T 0.8695
738 3BZ 0.8695
739 54E 0.8695
740 JCZ 0.8694
741 APG 0.8692
742 XCZ 0.8691
743 3MB 0.8691
744 PLP 0.8691
745 M1Q 0.8690
746 KGK 0.8689
747 ES6 0.8688
748 091 0.8688
749 5NU 0.8687
750 3C5 0.8687
751 2BG 0.8686
752 NQ 0.8686
753 5HN 0.8685
754 SKF 0.8684
755 2LP 0.8684
756 03V 0.8684
757 SVD 0.8684
758 HHR 0.8683
759 HPT 0.8682
760 5RG 0.8679
761 0XT 0.8679
762 9RW 0.8678
763 DTR 0.8676
764 E0O 0.8676
765 QXW 0.8676
766 P3K 0.8676
767 HJ8 0.8675
768 80G 0.8675
769 826 0.8675
770 2D2 0.8675
771 X05 0.8673
772 2AQ 0.8673
773 LZ2 0.8673
774 M5E 0.8673
775 HIC 0.8673
776 AQO 0.8672
777 DUR 0.8670
778 89J 0.8670
779 I4D 0.8669
780 SQ4 0.8669
781 G5V 0.8668
782 PE0 0.8668
783 TB8 0.8668
784 7N0 0.8666
785 CP7 0.8666
786 F0J 0.8664
787 Q02 0.8664
788 FBV 0.8663
789 BAM 0.8663
790 RNT 0.8663
791 CP6 0.8662
792 8IG 0.8661
793 6OT 0.8659
794 P9E 0.8659
795 9ZE 0.8659
796 JB5 0.8658
797 GLA 0.8657
798 DA4 0.8656
799 BRH 0.8656
800 K80 0.8655
801 8U3 0.8655
802 XX3 0.8654
803 HPS 0.8651
804 4J8 0.8651
805 6R8 0.8651
806 AMR 0.8649
807 1CY 0.8647
808 KBB 0.8646
809 4FS 0.8645
810 1GN 0.8645
811 RVE 0.8644
812 IFL 0.8644
813 MJ2 0.8642
814 P84 0.8642
815 G2F 0.8640
816 ES5 0.8635
817 OXC 0.8634
818 B85 0.8634
819 CC5 0.8634
820 DGJ 0.8633
821 6HP 0.8633
822 CIT 0.8633
823 SOE 0.8632
824 AM1 0.8632
825 AZ8 0.8632
826 GLO 0.8632
827 4NM 0.8631
828 SOV 0.8631
829 KKN 0.8630
830 9RH 0.8630
831 I4B 0.8626
832 IPD 0.8624
833 M6Z 0.8624
834 NCA 0.8623
835 30G 0.8620
836 FF2 0.8620
837 HWD 0.8619
838 CXF 0.8619
839 FZM 0.8619
840 W29 0.8619
841 NTN 0.8618
842 AC6 0.8617
843 FB1 0.8617
844 AAN 0.8616
845 N9J 0.8613
846 Z82 0.8613
847 MEW 0.8609
848 TIY 0.8609
849 2PG 0.8607
850 PXL 0.8607
851 FBT 0.8603
852 JKZ 0.8603
853 5V7 0.8602
854 I59 0.8602
855 B2T 0.8602
856 SQP 0.8600
857 VGL 0.8599
858 M1E 0.8599
859 NIO 0.8595
860 CXH 0.8594
861 67Y 0.8593
862 MBG 0.8592
863 LDR 0.8591
864 6SD 0.8590
865 4NZ 0.8590
866 FA6 0.8583
867 ZON 0.8583
868 AVJ 0.8583
869 23A 0.8582
870 SWX 0.8582
871 2AK 0.8581
872 SYR 0.8581
873 WVV 0.8579
874 149 0.8578
875 KLK 0.8577
876 PZ8 0.8576
877 BNT 0.8576
878 TLA 0.8576
879 A5H 0.8575
880 AUV 0.8574
881 G6P 0.8573
882 BDF 0.8572
883 M3Q 0.8571
884 LFQ 0.8569
885 E4P 0.8568
886 ZME 0.8567
887 9AP 0.8565
888 N7I 0.8564
889 FLC 0.8564
890 MHK 0.8556
891 5OO 0.8555
892 AOS 0.8552
893 0TU 0.8549
894 FB2 0.8547
895 DIR 0.8546
896 9TZ 0.8545
897 BSX 0.8528
898 K37 0.8527
899 PMB 0.8525
900 2FG 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6TDG; Ligand: N3W; 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: 6tdg.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6TDG; Ligand: N3W; 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: 6tdg.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6TDG; Ligand: ACO; 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: 6tdg.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6TDG; Ligand: ACO; 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: 6tdg.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
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