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Receptor
PDB id Resolution Class Description Source Keywords
5L4S 1.41 Å EC: 1.3.1.82 ISOPIPERITENONE REDUCTASE FROM MENTHA PIPERITA IN COMPLEX WI AND BETA-CYCLOCITRAL MENTHA PIPERITA SHORT-CHAIN DEHYDROGENASE/REDUCTASES (SDR) ROSSMANN FOLD BCYCLOCITRAL ISOPIPERITENONE OXIDOREDUCTASE
Ref.: PINPOINTING A MECHANISTIC SWITCH BETWEEN KETOREDUCT "ENE" REDUCTION IN SHORT-CHAIN DEHYDROGENASES/REDUC ANGEW.CHEM.INT.ED.ENGL. V. 55 9596 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6KX A:401;
Valid;
none;
submit data
152.233 C10 H16 O CC1=C...
NAP A:402;
Valid;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L4S 1.41 Å EC: 1.3.1.82 ISOPIPERITENONE REDUCTASE FROM MENTHA PIPERITA IN COMPLEX WI AND BETA-CYCLOCITRAL MENTHA PIPERITA SHORT-CHAIN DEHYDROGENASE/REDUCTASES (SDR) ROSSMANN FOLD BCYCLOCITRAL ISOPIPERITENONE OXIDOREDUCTASE
Ref.: PINPOINTING A MECHANISTIC SWITCH BETWEEN KETOREDUCT "ENE" REDUCTION IN SHORT-CHAIN DEHYDROGENASES/REDUC ANGEW.CHEM.INT.ED.ENGL. V. 55 9596 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5LCX - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5L4S - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 5LDG - IT9 C10 H14 O CC1=CC(=O)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5LCX - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5L4S - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 5LDG - IT9 C10 H14 O CC1=CC(=O)....
4 5L53 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5LCX - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5L4S - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 5LDG - IT9 C10 H14 O CC1=CC(=O)....
4 3O26 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 5O98 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 5L53 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6KX; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 6KX 1 1
2 RET 0.425926 0.952381
3 BCR 0.403846 0.818182
Ligand no: 2; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5L4S; Ligand: NAP; Similar sites found with APoc: 673
This union binding pocket(no: 1) in the query (biounit: 5l4s.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 5C2N NAG None
2 3KIF GDL None
3 4CJX NAP 0.943396
4 4OKE AMP 1.19048
5 3ZVS MLI 1.25
6 6BWL NAD 1.25786
7 6A0S NDP 1.25786
8 6A0S HSE 1.25786
9 4E5N NAD 1.25786
10 1V6A TRE 1.57233
11 3B20 NAD 1.57233
12 2ZSC BTN 1.57233
13 2D2I NAP 1.57233
14 3B1J NAD 1.57233
15 1RM0 D6P 1.57233
16 3ORF NAD 1.59363
17 1HYH NAD 1.61812
18 5XVH NAP 1.63399
19 3GU3 SAH 1.76056
20 2WA2 SAM 1.81159
21 5T9E NAP 1.84502
22 5NM7 GLY 1.8797
23 4TQG NDP 1.88679
24 5UAV NDP 1.88679
25 5UAV TFB 1.88679
26 1BW9 NAD 1.88679
27 3T2W BTN 1.88679
28 5FI3 NAP 1.88679
29 1C1X NAD 1.88679
30 1BXG NAD 1.88679
31 5O9F 9ON 1.88679
32 5O9F NAD 1.88679
33 2X7I CIT 1.94805
34 1TL2 NDG 2.11864
35 2V2G BEZ 2.14592
36 1DRV A3D 2.1978
37 2PZM UDP 2.20126
38 2PZM NAD 2.20126
39 5DF1 58X 2.20126
40 5DF1 NAP 2.20126
41 2Q1S NAI 2.20126
42 5T9F NAP 2.20126
43 5T9F TYR 2.20126
44 3BAZ NAP 2.20126
45 1MV8 NAD 2.20126
46 1MUU NAD 2.20126
47 6C4N NAP 2.20126
48 4JX1 CAM 2.20126
49 2BHZ MAL 2.20126
50 3CIF G3H 2.20126
51 1SC6 NAD 2.20126
52 1O0S NAI 2.20126
53 2GLX NDP 2.20126
54 3CIF NAD 2.20126
55 1J49 NAD 2.20126
56 5C3R HMU 2.20126
57 5C3R AKG 2.20126
58 5E9W SAH 2.24359
59 1GV0 NAD 2.25806
60 4D3F NAP 2.25806
61 1I36 NAP 2.27273
62 5JE8 NAD 2.31788
63 1J5P NAD 2.37154
64 2GN3 MMA 2.38095
65 1UKG MMA 2.38095
66 2GND MAN 2.38095
67 1Q8S MAN MMA 2.38095
68 2PHX MAN MAN 2.38095
69 5LPG 71V 2.43902
70 4E13 NAD 2.4735
71 2F1K NAP 2.50896
72 1LTH NAD 2.51572
73 9LDT NAD 2.51572
74 5THY SAH 2.51572
75 3V1Y NAD 2.51572
76 2V7B BEZ 2.51572
77 5Z21 NAI 2.51572
78 3LKZ SFG 2.51572
79 5THZ SAH 2.51572
80 4BXF AKG 2.51572
81 4XDZ NDP 2.51572
82 3DRW AMP 2.51572
83 1U1I NAD 2.51572
84 2GCG NDP 2.51572
85 9LDB NAD 2.51572
86 1KEV NDP 2.51572
87 4Z0H NAD 2.51572
88 4DVE BTN 2.52525
89 3GGO ENO 2.54777
90 3GGO NAI 2.54777
91 1KYQ NAD 2.55474
92 1GUZ NAD 2.58065
93 2UYQ SAM 2.58065
94 1LK7 DER 2.62009
95 3RFV NAI 2.62172
96 3RFV 15L 2.62172
97 1WOG 16D 2.62295
98 5N6C NAD 2.66667
99 2PWY SAH 2.71318
100 3O7W SAM 2.72109
101 3OJO NAD 2.78422
102 5Y1G AKB 2.83019
103 5Y1G NAD 2.83019
104 1OC2 NAD 2.83019
105 1OC2 TDX 2.83019
106 3CK8 BCD 2.83019
107 3ULK NDP 2.83019
108 4HNN LYS 2.83019
109 1D1T NAD 2.83019
110 1YJQ NAP 2.83019
111 4JK3 NAD 2.83019
112 1TUU ADP 2.83019
113 4JBI NDP 2.83019
114 2IXB NAD 2.83019
115 1HKU NAD 2.83019
116 2G5C NAD 2.84698
117 3WBF NAP 2.95082
118 4DE3 DN8 3.04183
119 1V35 NAI 3.14465
120 5Z75 NAD 3.14465
121 5MLR NAP 3.14465
122 5MLR GRQ 3.14465
123 3A06 NDP 3.14465
124 2V6G NAP 3.14465
125 5H81 NAP 3.14465
126 4R5M NAP 3.14465
127 2QZZ NAP 3.14465
128 2QZZ EMF 3.14465
129 1E5Q NDP 3.14465
130 4XQC 13D 3.14465
131 4XQC NAD 3.14465
132 5LD5 NAD 3.14465
133 1IXI 2HP 3.14465
134 1PL6 NAD 3.14465
135 3U7Q HCA 3.14465
136 4R5M 4NO 3.14465
137 3GVL SLB SIA 3.14465
138 1YKF NAP 3.14465
139 2IV3 UDP 3.14465
140 1GZ4 ATP 3.14465
141 5W7R SAH 3.14465
142 1E3I CXF 3.14465
143 4C4A SAH 3.17919
144 1NVM NAD 3.20513
145 1TZD ADP 3.27273
146 1LES GLC FRU 3.31492
147 2A92 NAI 3.42679
148 5HC8 61G 3.44828
149 5JAQ NAI 3.45912
150 2HJR APR 3.45912
151 6EL3 NAP 3.45912
152 1EZ4 NAD 3.45912
153 1ZGS XMM 3.45912
154 2OOR NAD 3.45912
155 2J5B TYE 3.45912
156 1FDJ 2FP 3.45912
157 6C3C EJ1 3.45912
158 1FDJ 13P 3.45912
159 6C4T NA7 3.45912
160 1PZG A3D 3.45912
161 1RJD SAM 3.45912
162 2CVQ NDP 3.45912
163 4LWP SAH 3.45912
164 4XZ3 COA 3.47826
165 2YY8 MTA 3.48259
166 1LUA NAP 3.48432
167 5A7Y SAH 3.52564
168 5KO1 6UY 3.53357
169 3VPD CIT 3.55872
170 1CF2 NAP 3.56083
171 2WPB ZZI 3.61842
172 2I3G NAP 3.69318
173 1D7O TCL 3.7037
174 1D7O NAD 3.7037
175 5EIN NAP 3.7037
176 5U5G NAP 3.72881
177 1U3U BNF 3.74332
178 1U3U NAD 3.74332
179 3H8V ATP 3.76712
180 4EUE NAI 3.77358
181 1GY8 NAD 3.77358
182 2GZ3 NAP 3.77358
183 1P77 ATR 3.77358
184 5A1T NAI 3.77358
185 4CCK OGA 3.77358
186 6IKG MET ALA ALA 3.77358
187 4CCN OGA 3.77358
188 3WLE NAD 3.77358
189 4Y3O OGA 3.77358
190 5A1T OXM 3.77358
191 3VGL BGC 3.77358
192 3L4S NAD 3.77358
193 2GN4 NDP 3.77907
194 2GN4 UD1 3.77907
195 5ZZ6 ADP 3.84615
196 5ZZ6 NAD 3.84615
197 1DCP HBI 3.84615
198 4PLG NAI 3.89222
199 4PLG OXM 3.89222
200 4PLT NAI 3.92749
201 4PLT OXM 3.92749
202 4U60 SIA 3.92857
203 4U60 SIA GAL NGA 3.92857
204 4PIV NDP 3.93939
205 5L95 AMP 3.94265
206 3EVG SAH 4
207 1KEW NAD 4.08805
208 1BXK NAD 4.08805
209 1KEW TYD 4.08805
210 4XB2 NDP 4.08805
211 1OFL ASG GCD 4.08805
212 6FDF SAH 4.08805
213 2PV7 NAD 4.08805
214 4XB2 HSE 4.08805
215 2DFV NAD 4.08805
216 4GKV NAD 4.08805
217 2ZWA SAH 4.08805
218 5OCM NAP 4.12371
219 3B1F NAD 4.13793
220 5F5N NAD 4.15225
221 2FCU AKG 4.15335
222 5KVS NAP 4.15584
223 4K7O EKZ 4.16667
224 2JL1 NAP 4.18118
225 5LUB 3Y7 4.19847
226 5AEW BNL 4.25532
227 6CS8 F9Y 4.29043
228 4DS0 A2G GAL NAG FUC 4.29448
229 6AA8 NAD 4.30464
230 1EK6 NAI 4.40252
231 1EK6 UPG 4.40252
232 1ORR NAD 4.40252
233 6DNT NAD 4.40252
234 5MDH NAD 4.40252
235 1LDM NAD 4.40252
236 1B8U NAD 4.40252
237 3GFB NAD 4.40252
238 2B4R NAD 4.40252
239 4MDH NAD 4.40252
240 4ZVV NAD 4.40252
241 5I34 GDP 4.40252
242 3QDK QDK 4.40252
243 4ZVV GN0 4.40252
244 1T26 GBD 4.40252
245 1T26 NAI 4.40252
246 4ZU3 4SD 4.40529
247 3A4V PYR 4.4164
248 3A4V NAD 4.4164
249 2XVM SAH 4.52261
250 3RK0 AMP 4.64135
251 5U5N NAD 4.6595
252 5BSH PRO 4.69314
253 5BJX NAD 4.71698
254 5BJX UDP 4.71698
255 5MPT SAH 4.71698
256 1VM6 NAD 4.71698
257 1F8G NAD 4.71698
258 5ERG SAM 4.71698
259 4ODT GP1 Z9M 4.71698
260 3EZ2 ADP 4.71698
261 5DN9 NAD 4.71698
262 2CDU ADP 4.71698
263 5W0N UPU 4.71698
264 2Q46 NAP 4.74308
265 5Y8L NAD 4.74576
266 1C3M MAN MAN 4.7619
267 4YCA NDP 4.7619
268 5KKA 6V0 4.80769
269 5OOH 9ZZ 4.85437
270 5OOH NAP 4.85437
271 5L4L 7OX 4.93421
272 5L4L NAP 4.93421
273 5X9D 80F 4.93421
274 1WDK NAD 5.03145
275 2IZ1 ATR 5.03145
276 3H5N ATP 5.03145
277 1CDO NAD 5.03145
278 1LJ8 NAD 5.03145
279 3TWO NDP 5.03145
280 5XGX DAS DLY 5.03145
281 1M2W NAD 5.03145
282 2HK9 ATR 5.09091
283 2HK9 NAP 5.09091
284 3A4T SFG 5.10949
285 1HYE NAP 5.11182
286 4OM8 NAD 5.17799
287 1WP4 NDP 5.19031
288 2CVZ NDP 5.19031
289 3AIA SAM 5.21327
290 3OIG NAD 5.26316
291 1F4F TP3 5.30303
292 3C8F MT2 5.30612
293 4GLL NAD 5.34591
294 3L9W AMP 5.34591
295 3H41 ALA DGL 5.34591
296 5LV1 78T 5.34591
297 6C4M NAP 5.34591
298 1OH2 SUC 5.34591
299 1A0T SUC 5.34591
300 3M6W SAM 5.34591
301 3KB6 NAD 5.38922
302 3MMH SME 5.38922
303 1NYT NAP 5.53506
304 4PVD NDP 5.55556
305 2HMT NAI 5.55556
306 2VT3 ATP 5.5814
307 2C5A GDC 5.66038
308 2C5A NAD 5.66038
309 1I2B USQ 5.66038
310 1I2B UPG 5.66038
311 1I2B NAD 5.66038
312 5N2I NAP 5.66038
313 4ZNO SUC 5.66038
314 3WV8 ATP 5.66038
315 5Z20 NAI 5.66038
316 2DBZ NAP 5.68862
317 5OJL TXP 5.7047
318 6C0B MLI 5.76923
319 5X2N ALA 5.77778
320 1FK8 NAD 5.83658
321 2DKN NAI 5.88235
322 1P0F NAP 5.89812
323 1UDB NAD 5.97484
324 1UDB UFG 5.97484
325 5NUF NAD 5.97484
326 1YS4 NAP 5.97484
327 1PJS NAD 5.97484
328 5NUE NAD 5.97484
329 5AOV NAP 5.97484
330 5L1O 7PF 5.97484
331 1LLU NAD 5.97484
332 5WGG SAM 5.97484
333 1HDG NAD 5.97484
334 1R37 NAD 5.97484
335 2GAG FOA 6.06061
336 1VL0 NAI 6.16438
337 4ZGS NAD 6.28931
338 1EBF NAD 6.28931
339 1SOW NAD 6.28931
340 3ABI NAD 6.28931
341 3H9E NAD 6.28931
342 2CYC TYR 6.28931
343 5O96 SAM 6.28931
344 3X0D SAH 6.28931
345 1SQF SAM 6.28931
346 1EB9 HBA 6.48855
347 2AG5 NAD 6.50407
348 2GUD MAN 6.55738
349 2GUC MAN 6.55738
350 2NU5 NAG 6.55738
351 2GUD BMA 6.55738
352 2NUO BGC 6.55738
353 2HYR BGC GLC 6.55738
354 2HYQ MAN MAN 6.55738
355 3C1O NAP 6.60377
356 4DPL NAP 6.60377
357 1X87 NAD 6.60377
358 1T36 ORN 6.60377
359 5XNC MTA 6.60377
360 1X7D NAD 6.60377
361 1H2B NAJ 6.60377
362 5JJR SAH 6.60377
363 1TE2 PGA 6.63717
364 5DOZ NDP 6.80473
365 1CER NAD 6.91824
366 2DT5 NAD 7.109
367 1WOQ BGC 7.11611
368 1O6Z NAD 7.2327
369 1TI7 NAP 7.2327
370 2VUT NAD 7.2327
371 2OS2 OGA 7.2327
372 2YBP 2HG 7.2327
373 4FGC PQ0 7.27273
374 5X20 NAD 7.37179
375 4LHD GLY 7.54717
376 6D6Y SAH 7.54717
377 3VPH NAD 7.54717
378 3VPH OXM 7.54717
379 4LZB URA 7.56302
380 5I7S NAD 7.6087
381 5I7S E9P 7.6087
382 5CAE COA 7.66773
383 4YGM URA 7.75862
384 3OJF IMJ 7.7821
385 3OJF NDP 7.7821
386 1HDR NAD 7.78689
387 2FR1 NDP 7.86164
388 5UR0 NAD 7.86164
389 5CUQ NSC 7.86517
390 4RDH AMP 7.98611
391 3IP8 B85 8.06452
392 5XWV NDP 8.1761
393 5XWV 8H6 8.1761
394 5IN4 6CK 8.1761
395 5IN4 GDP 8.1761
396 5IN4 NAP 8.1761
397 1J0X NAD 8.1761
398 4OOE FOM 8.1761
399 4OOE NDP 8.1761
400 4CQM NAP 8.19672
401 5ULP KB1 8.20895
402 1LDN NAD 8.22785
403 1UAY ADN 8.26446
404 3UDG TMP 8.30565
405 1RM4 NDP 8.30861
406 1Z0N BCD 8.33333
407 4D79 ATP 8.33333
408 1EQ2 NAP 8.3871
409 2X6T NAP 8.49057
410 5ZEC NAP 8.49057
411 1JAY NAP 8.49057
412 5EES NAP 8.50202
413 3LU1 NAD 8.51648
414 6D5X 5AD 8.67347
415 5Z49 RUB 8.78661
416 5MSO NAP 8.80503
417 4U7W NDP 8.80503
418 4KOA NDP 8.80503
419 4RQU NAD 8.80503
420 1QH8 HCA 8.80503
421 1DSS NAD 8.80503
422 1XK5 TPG 8.82353
423 1RKX NAD 9.43396
424 5AYV NAP 9.43396
425 3FSY SCA 9.43396
426 5AYV KPL 9.43396
427 5CWA 0GA 9.43396
428 1GQ2 NAP 9.43396
429 1A5Z NAD 9.71787
430 2C29 NAP 9.74843
431 4R1S NAP 9.74843
432 2C29 DQH 9.74843
433 6CEP NAD 9.74843
434 6CEP OXM 9.74843
435 2VYN NAD 9.74843
436 1GAD NAD 9.74843
437 2YY7 NAD 9.9359
438 1VI2 NAD 10
439 2Q1W NAD 10.0629
440 1XSE NDP 10.1695
441 1SB8 UD2 10.2273
442 1SB8 NAD 10.2273
443 3WMX NAD 10.3774
444 1NVT NAP 10.453
445 5YRL GLC GLC 10.5634
446 5YRM BGC GLC 10.5634
447 3MB5 SAM 10.5882
448 1N7G NDP 10.6918
449 1N7G GDR 10.6918
450 5X3R 7Y3 10.6918
451 5YEC ATP 10.9244
452 4JP3 CIT 11.2971
453 1RPN NDP 11.3208
454 4G5H NAP 11.3208
455 4G5H UD7 11.3208
456 1WVG APR 11.3208
457 6AM8 TRP 11.3208
458 6BII NAP 11.3208
459 5E8J SAH 11.3636
460 3I6I NDP 11.6352
461 3QV1 NAD 11.8694
462 5WQP NAP 11.9658
463 5WQP NCA 11.9658
464 4ZRN NAD 12.1795
465 4ZRN UPG 12.1795
466 4RHE FMN 12.4402
467 4M38 SAH 12.5364
468 4M37 SAH 12.5364
469 1R6D NAD 12.5786
470 1R6D DAU 12.5786
471 5ZI2 ADP 12.5786
472 5ZI2 NAD 12.5786
473 2EXX NAP 12.7451
474 1LSS NAD 12.8571
475 3I73 ADP 12.8931
476 1W8D NAP 12.9139
477 1W73 NAP 12.9139
478 1SNY NAP 13.1086
479 4O1M NAD 13.2075
480 5YRG BGC GLC 13.3803
481 5YRJ BGC GLC 13.3803
482 5K4W THR 13.522
483 5K4W NAI 13.522
484 1Z45 NAD 13.522
485 1W6U NAP 13.5762
486 1W6U HXC 13.5762
487 2BKA NDP 13.6364
488 2PD4 NAD 13.8182
489 2PD4 DCN 13.8182
490 1BDB NAD 14.0794
491 1Y1P NMN AMP PO4 14.1509
492 5WP4 SAH 14.1509
493 4D42 W0I 14.1844
494 4D42 NAP 14.1844
495 2BGM NAJ 14.3885
496 2DC1 NAD 14.4068
497 3KO8 NAD 14.4231
498 3V1U NAD 14.4654
499 4HXY NDP 14.4654
500 4HXY ACA 14.4654
501 4ITU 1HS 14.4981
502 4ITU NAI 14.4981
503 3ZV6 4HB 14.5907
504 3ZV6 NAD 14.5907
505 4J1Q NDP 14.7799
506 4O0L NDP 14.9091
507 5OVL NAP 15
508 1NNU NAD 15
509 1NNU TCT 15
510 2FOI JPA 15
511 1ZBQ NAD 15.0943
512 1YXM ADE 15.1815
513 4OHU NAD 15.2249
514 4OHU 2TK 15.2249
515 5JDI NAP 15.2778
516 5K6A NAP 15.2778
517 4CM9 NAP 15.2778
518 3BMN NAP 15.2778
519 5JDC NAP 15.2778
520 5JCJ NAP 15.2778
521 4CLR NAP 15.2778
522 4CMI NAP 15.2778
523 3JQ9 NAP 15.2778
524 4CM8 NAP 15.2778
525 3BMO NAP 15.2778
526 4CM4 NAP 15.2778
527 3BMQ NAP 15.2778
528 3JQA NAP 15.2778
529 3JQF NAP 15.2778
530 3JQ7 NAP 15.2778
531 3JQG NAP 15.2778
532 4CLO NAP 15.2778
533 4CME NAP 15.2778
534 3JQB NAP 15.2778
535 3JQ8 NAP 15.2778
536 3JQ7 DX2 15.2778
537 1E3W NAD 15.3257
538 1E6W NAD 15.3846
539 1GZ6 NAI 15.4088
540 2PK3 A2R 15.4088
541 4Y9D NAI 15.4098
542 3SJU NDP 15.4122
543 4Q9N NAI 15.4362
544 5EJ2 NAD 15.5844
545 5WUW NAP 15.6794
546 1U7T TDT 15.7088
547 1U7T NAD 15.7088
548 6F9Q NAD 15.8088
549 4YAC NAI 15.8249
550 4YAG NAI 15.917
551 3H4V NAP 15.9722
552 3H4V DVP 15.9722
553 5CG1 NAD BBN 16.0656
554 3AFN NAP 16.2791
555 1ZEM NAD 16.4122
556 2VZ0 NAP 16.4179
557 2VZ0 D64 16.4179
558 2WD7 NAP 16.4179
559 2WD7 VGD 16.4179
560 3GEG NAD 16.5992
561 2B4Q NAP 16.6667
562 2WYV NAD 16.8582
563 5FFF NAP 17.1206
564 5FFF 5XC 17.1206
565 1IY8 NAD 17.2285
566 2EWM NAD 17.2691
567 5THQ NDP 17.2794
568 1HDC CBO 17.3228
569 1MXH DHF 17.3913
570 1MXH NAP 17.3913
571 5FEU NAP 17.5258
572 5OVK NDP 17.5781
573 3RJ5 NAD 17.7165
574 4URF NAD 17.7419
575 3AY6 BGC 17.8439
576 3AY6 NAI 17.8439
577 2GDZ NAD 17.9775
578 4FC7 COA 18.0505
579 4FC7 NAP 18.0505
580 6CI9 NAP 18.1467
581 6CI9 F3V 18.1467
582 3QWI CUE 18.1481
583 3QWI NAP 18.1481
584 3U4C NDP 18.1495
585 4KWI 1TJ 18.2509
586 4KWI NAP 18.2509
587 4RF2 NAP 18.3824
588 2WSB NAD 18.5039
589 1ZK4 NAP 18.7251
590 1ZK4 AC0 18.7251
591 2RH4 EMO 18.7726
592 1QG6 NAD 18.7739
593 1QG6 TCL 18.7739
594 4FN4 NAD 18.8976
595 4ZA2 NAD 18.9723
596 1JA9 NDP 18.9781
597 1XG5 NAP 18.9964
598 2JAH NDP 19.0283
599 2JAP NDP 19.0283
600 1UZN NAP 19.0283
601 1GEG NAD 19.1406
602 3ICC NAP 19.2157
603 2ZAT NAP 19.2308
604 4OSP NAP 19.3916
605 5GWT SIN 19.4245
606 5GWT NAD 19.4245
607 5Z2L NDP 19.5918
608 2Q2V NAD 19.6078
609 1X1T NAD 19.6154
610 1O5I NAD 19.6787
611 3NUG NAD 19.8381
612 5OJI ISN 20
613 5OJI NAP 20
614 1UXG FUM 20.0647
615 1UXG NAD 20.0647
616 2DTX BMA 20.0758
617 1EDO NAP 20.082
618 3AI3 SOL 20.1521
619 3A28 NAD 20.155
620 5T2U NAP 20.1613
621 1H5Q NAP 20.3774
622 3RKR NAP 20.6107
623 3SJ7 NDP 20.6349
624 3HB5 NAP 20.7547
625 5YSS NAD 21.0938
626 1E7S NAP 21.1838
627 3O03 NAP 21.3058
628 3D3W NAP 21.3115
629 1PR9 NAP 21.3115
630 4QED NAP 21.371
631 1GXU 2HP 21.978
632 5O42 NAD 22.0126
633 5O42 BGC 22.0126
634 5O42 9JW 22.0126
635 3OID NDP 22.093
636 3OID TCL 22.093
637 5B4T NAD 22.327
638 5B4T 3HR 22.327
639 1A27 NAP 22.4914
640 1XHL NDP 22.5589
641 1XHL TNE 22.5589
642 4K26 SFF 22.8261
643 4K26 NDP 22.8261
644 4J7U YTZ 22.9167
645 4J7U NAP 22.9167
646 1GEE NAD 22.9885
647 1OAA OAA 23.166
648 3VZS CAA 23.3463
649 3VZS NAP 23.3463
650 1Z6Z NAP 23.4043
651 5G4L NDP 23.4266
652 1AE1 NAP 24.1758
653 3TN7 NJP 24.5136
654 2BD0 NAP 24.5902
655 4NBW NAD 25.1572
656 5EPO NAP 25.1908
657 5EPO TUD 25.1908
658 2AE2 PTO 25.3846
659 2AE2 NAP 25.3846
660 1XKQ NDP 25.7143
661 5GT9 NAP 26.616
662 4NBU NAI 26.8
663 1NFQ NAI 29.6154
664 2CFC NAD 31.1321
665 4NBT NAD 31.1321
666 2CFC KPC 31.1321
667 1G0N NDP 31.4488
668 1G0N PHH 31.4488
669 1Q7B NAP 34.2767
670 3CH6 311 34.6154
671 3CH6 NAP 34.6154
672 3WXB NDP 36.1635
673 1VL8 NAP 41.9476
Pocket No.: 2; Query (leader) PDB : 5L4S; Ligand: 6KX; Similar sites found with APoc: 673
This union binding pocket(no: 2) in the query (biounit: 5l4s.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 5C2N NAG None
2 3KIF GDL None
3 4CJX NAP 0.943396
4 4OKE AMP 1.19048
5 3ZVS MLI 1.25
6 6BWL NAD 1.25786
7 6A0S NDP 1.25786
8 6A0S HSE 1.25786
9 4E5N NAD 1.25786
10 1V6A TRE 1.57233
11 3B20 NAD 1.57233
12 2ZSC BTN 1.57233
13 2D2I NAP 1.57233
14 3B1J NAD 1.57233
15 1RM0 D6P 1.57233
16 3ORF NAD 1.59363
17 1HYH NAD 1.61812
18 5XVH NAP 1.63399
19 3GU3 SAH 1.76056
20 2WA2 SAM 1.81159
21 5T9E NAP 1.84502
22 5NM7 GLY 1.8797
23 4TQG NDP 1.88679
24 5UAV NDP 1.88679
25 5UAV TFB 1.88679
26 1BW9 NAD 1.88679
27 3T2W BTN 1.88679
28 5FI3 NAP 1.88679
29 1C1X NAD 1.88679
30 1BXG NAD 1.88679
31 5O9F 9ON 1.88679
32 5O9F NAD 1.88679
33 2X7I CIT 1.94805
34 1TL2 NDG 2.11864
35 2V2G BEZ 2.14592
36 1DRV A3D 2.1978
37 2PZM UDP 2.20126
38 2PZM NAD 2.20126
39 5DF1 58X 2.20126
40 5DF1 NAP 2.20126
41 2Q1S NAI 2.20126
42 5T9F NAP 2.20126
43 5T9F TYR 2.20126
44 3BAZ NAP 2.20126
45 1MV8 NAD 2.20126
46 1MUU NAD 2.20126
47 6C4N NAP 2.20126
48 4JX1 CAM 2.20126
49 2BHZ MAL 2.20126
50 3CIF G3H 2.20126
51 1SC6 NAD 2.20126
52 1O0S NAI 2.20126
53 2GLX NDP 2.20126
54 3CIF NAD 2.20126
55 1J49 NAD 2.20126
56 5C3R HMU 2.20126
57 5C3R AKG 2.20126
58 5E9W SAH 2.24359
59 1GV0 NAD 2.25806
60 4D3F NAP 2.25806
61 1I36 NAP 2.27273
62 5JE8 NAD 2.31788
63 1J5P NAD 2.37154
64 2GN3 MMA 2.38095
65 1UKG MMA 2.38095
66 2GND MAN 2.38095
67 1Q8S MAN MMA 2.38095
68 2PHX MAN MAN 2.38095
69 5LPG 71V 2.43902
70 4E13 NAD 2.4735
71 2F1K NAP 2.50896
72 1LTH NAD 2.51572
73 9LDT NAD 2.51572
74 5THY SAH 2.51572
75 3V1Y NAD 2.51572
76 2V7B BEZ 2.51572
77 5Z21 NAI 2.51572
78 3LKZ SFG 2.51572
79 5THZ SAH 2.51572
80 4BXF AKG 2.51572
81 4XDZ NDP 2.51572
82 3DRW AMP 2.51572
83 1U1I NAD 2.51572
84 2GCG NDP 2.51572
85 9LDB NAD 2.51572
86 1KEV NDP 2.51572
87 4Z0H NAD 2.51572
88 4DVE BTN 2.52525
89 3GGO ENO 2.54777
90 3GGO NAI 2.54777
91 1KYQ NAD 2.55474
92 1GUZ NAD 2.58065
93 2UYQ SAM 2.58065
94 1LK7 DER 2.62009
95 3RFV NAI 2.62172
96 3RFV 15L 2.62172
97 1WOG 16D 2.62295
98 5N6C NAD 2.66667
99 2PWY SAH 2.71318
100 3O7W SAM 2.72109
101 3OJO NAD 2.78422
102 5Y1G AKB 2.83019
103 5Y1G NAD 2.83019
104 1OC2 NAD 2.83019
105 1OC2 TDX 2.83019
106 3CK8 BCD 2.83019
107 3ULK NDP 2.83019
108 4HNN LYS 2.83019
109 1D1T NAD 2.83019
110 1YJQ NAP 2.83019
111 4JK3 NAD 2.83019
112 1TUU ADP 2.83019
113 4JBI NDP 2.83019
114 2IXB NAD 2.83019
115 1HKU NAD 2.83019
116 2G5C NAD 2.84698
117 3WBF NAP 2.95082
118 4DE3 DN8 3.04183
119 1V35 NAI 3.14465
120 5Z75 NAD 3.14465
121 5MLR NAP 3.14465
122 5MLR GRQ 3.14465
123 3A06 NDP 3.14465
124 2V6G NAP 3.14465
125 5H81 NAP 3.14465
126 4R5M NAP 3.14465
127 2QZZ NAP 3.14465
128 2QZZ EMF 3.14465
129 1E5Q NDP 3.14465
130 4XQC 13D 3.14465
131 4XQC NAD 3.14465
132 5LD5 NAD 3.14465
133 1IXI 2HP 3.14465
134 1PL6 NAD 3.14465
135 3U7Q HCA 3.14465
136 4R5M 4NO 3.14465
137 3GVL SLB SIA 3.14465
138 1YKF NAP 3.14465
139 2IV3 UDP 3.14465
140 1GZ4 ATP 3.14465
141 5W7R SAH 3.14465
142 1E3I CXF 3.14465
143 4C4A SAH 3.17919
144 1NVM NAD 3.20513
145 1TZD ADP 3.27273
146 1LES GLC FRU 3.31492
147 2A92 NAI 3.42679
148 5HC8 61G 3.44828
149 5JAQ NAI 3.45912
150 2HJR APR 3.45912
151 6EL3 NAP 3.45912
152 1EZ4 NAD 3.45912
153 1ZGS XMM 3.45912
154 2OOR NAD 3.45912
155 2J5B TYE 3.45912
156 1FDJ 2FP 3.45912
157 6C3C EJ1 3.45912
158 1FDJ 13P 3.45912
159 6C4T NA7 3.45912
160 1PZG A3D 3.45912
161 1RJD SAM 3.45912
162 2CVQ NDP 3.45912
163 4LWP SAH 3.45912
164 4XZ3 COA 3.47826
165 2YY8 MTA 3.48259
166 1LUA NAP 3.48432
167 5A7Y SAH 3.52564
168 5KO1 6UY 3.53357
169 3VPD CIT 3.55872
170 1CF2 NAP 3.56083
171 2WPB ZZI 3.61842
172 2I3G NAP 3.69318
173 1D7O TCL 3.7037
174 1D7O NAD 3.7037
175 5EIN NAP 3.7037
176 5U5G NAP 3.72881
177 1U3U BNF 3.74332
178 1U3U NAD 3.74332
179 3H8V ATP 3.76712
180 4EUE NAI 3.77358
181 1GY8 NAD 3.77358
182 2GZ3 NAP 3.77358
183 1P77 ATR 3.77358
184 5A1T NAI 3.77358
185 4CCK OGA 3.77358
186 6IKG MET ALA ALA 3.77358
187 4CCN OGA 3.77358
188 3WLE NAD 3.77358
189 4Y3O OGA 3.77358
190 5A1T OXM 3.77358
191 3VGL BGC 3.77358
192 3L4S NAD 3.77358
193 2GN4 NDP 3.77907
194 2GN4 UD1 3.77907
195 5ZZ6 ADP 3.84615
196 5ZZ6 NAD 3.84615
197 1DCP HBI 3.84615
198 4PLG NAI 3.89222
199 4PLG OXM 3.89222
200 4PLT NAI 3.92749
201 4PLT OXM 3.92749
202 4U60 SIA 3.92857
203 4U60 SIA GAL NGA 3.92857
204 4PIV NDP 3.93939
205 5L95 AMP 3.94265
206 3EVG SAH 4
207 1KEW NAD 4.08805
208 1BXK NAD 4.08805
209 1KEW TYD 4.08805
210 4XB2 NDP 4.08805
211 1OFL ASG GCD 4.08805
212 6FDF SAH 4.08805
213 2PV7 NAD 4.08805
214 4XB2 HSE 4.08805
215 2DFV NAD 4.08805
216 4GKV NAD 4.08805
217 2ZWA SAH 4.08805
218 5OCM NAP 4.12371
219 3B1F NAD 4.13793
220 5F5N NAD 4.15225
221 2FCU AKG 4.15335
222 5KVS NAP 4.15584
223 4K7O EKZ 4.16667
224 2JL1 NAP 4.18118
225 5LUB 3Y7 4.19847
226 5AEW BNL 4.25532
227 6CS8 F9Y 4.29043
228 4DS0 A2G GAL NAG FUC 4.29448
229 6AA8 NAD 4.30464
230 1EK6 NAI 4.40252
231 1EK6 UPG 4.40252
232 1ORR NAD 4.40252
233 6DNT NAD 4.40252
234 5MDH NAD 4.40252
235 1LDM NAD 4.40252
236 1B8U NAD 4.40252
237 3GFB NAD 4.40252
238 2B4R NAD 4.40252
239 4MDH NAD 4.40252
240 4ZVV NAD 4.40252
241 5I34 GDP 4.40252
242 3QDK QDK 4.40252
243 4ZVV GN0 4.40252
244 1T26 GBD 4.40252
245 1T26 NAI 4.40252
246 4ZU3 4SD 4.40529
247 3A4V PYR 4.4164
248 3A4V NAD 4.4164
249 2XVM SAH 4.52261
250 3RK0 AMP 4.64135
251 5U5N NAD 4.6595
252 5BSH PRO 4.69314
253 5BJX NAD 4.71698
254 5BJX UDP 4.71698
255 5MPT SAH 4.71698
256 1VM6 NAD 4.71698
257 1F8G NAD 4.71698
258 5ERG SAM 4.71698
259 4ODT GP1 Z9M 4.71698
260 3EZ2 ADP 4.71698
261 5DN9 NAD 4.71698
262 2CDU ADP 4.71698
263 5W0N UPU 4.71698
264 2Q46 NAP 4.74308
265 5Y8L NAD 4.74576
266 1C3M MAN MAN 4.7619
267 4YCA NDP 4.7619
268 5KKA 6V0 4.80769
269 5OOH 9ZZ 4.85437
270 5OOH NAP 4.85437
271 5L4L 7OX 4.93421
272 5L4L NAP 4.93421
273 5X9D 80F 4.93421
274 1WDK NAD 5.03145
275 2IZ1 ATR 5.03145
276 3H5N ATP 5.03145
277 1CDO NAD 5.03145
278 1LJ8 NAD 5.03145
279 3TWO NDP 5.03145
280 5XGX DAS DLY 5.03145
281 1M2W NAD 5.03145
282 2HK9 ATR 5.09091
283 2HK9 NAP 5.09091
284 3A4T SFG 5.10949
285 1HYE NAP 5.11182
286 4OM8 NAD 5.17799
287 1WP4 NDP 5.19031
288 2CVZ NDP 5.19031
289 3AIA SAM 5.21327
290 3OIG NAD 5.26316
291 1F4F TP3 5.30303
292 3C8F MT2 5.30612
293 4GLL NAD 5.34591
294 3L9W AMP 5.34591
295 3H41 ALA DGL 5.34591
296 5LV1 78T 5.34591
297 6C4M NAP 5.34591
298 1OH2 SUC 5.34591
299 1A0T SUC 5.34591
300 3M6W SAM 5.34591
301 3KB6 NAD 5.38922
302 3MMH SME 5.38922
303 1NYT NAP 5.53506
304 4PVD NDP 5.55556
305 2HMT NAI 5.55556
306 2VT3 ATP 5.5814
307 2C5A GDC 5.66038
308 2C5A NAD 5.66038
309 1I2B USQ 5.66038
310 1I2B UPG 5.66038
311 1I2B NAD 5.66038
312 5N2I NAP 5.66038
313 4ZNO SUC 5.66038
314 3WV8 ATP 5.66038
315 5Z20 NAI 5.66038
316 2DBZ NAP 5.68862
317 5OJL TXP 5.7047
318 6C0B MLI 5.76923
319 5X2N ALA 5.77778
320 1FK8 NAD 5.83658
321 2DKN NAI 5.88235
322 1P0F NAP 5.89812
323 1UDB NAD 5.97484
324 1UDB UFG 5.97484
325 5NUF NAD 5.97484
326 1YS4 NAP 5.97484
327 1PJS NAD 5.97484
328 5NUE NAD 5.97484
329 5AOV NAP 5.97484
330 5L1O 7PF 5.97484
331 1LLU NAD 5.97484
332 5WGG SAM 5.97484
333 1HDG NAD 5.97484
334 1R37 NAD 5.97484
335 2GAG FOA 6.06061
336 1VL0 NAI 6.16438
337 4ZGS NAD 6.28931
338 1EBF NAD 6.28931
339 1SOW NAD 6.28931
340 3ABI NAD 6.28931
341 3H9E NAD 6.28931
342 2CYC TYR 6.28931
343 5O96 SAM 6.28931
344 3X0D SAH 6.28931
345 1SQF SAM 6.28931
346 1EB9 HBA 6.48855
347 2AG5 NAD 6.50407
348 2GUD MAN 6.55738
349 2GUC MAN 6.55738
350 2NU5 NAG 6.55738
351 2GUD BMA 6.55738
352 2NUO BGC 6.55738
353 2HYR BGC GLC 6.55738
354 2HYQ MAN MAN 6.55738
355 3C1O NAP 6.60377
356 4DPL NAP 6.60377
357 1X87 NAD 6.60377
358 1T36 ORN 6.60377
359 5XNC MTA 6.60377
360 1X7D NAD 6.60377
361 1H2B NAJ 6.60377
362 5JJR SAH 6.60377
363 1TE2