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Receptor
PDB id Resolution Class Description Source Keywords
4CQM 2.34 Å EC: 1.1.1.62 CRYSTAL STRUCTURE OF HETEROTETRAMERIC HUMAN KETOACYL REDUCTASE COMPLEXED WITH NAD AND NADP HOMO SAPIENS OXIDOREDUCTASE KAR KETOACYL REDUCTASE 3-KETOACYL-ACP REDUKE6 HSD8 17-BETA HYDROXYSTEROID DEHYDROGENASE HSD17B8 3HYDROXYACYL-COA DEHYDROGENASE CBR4 CARBOBYL REDUCTASE TYPNADH NADP NADPH HETERO TETRAMER
Ref.: INSIGHTS INTO MITOCHONDRIAL FATTY ACID SYNTHESIS FR STRUCTURE OF HETEROTETRAMERIC 3-KETOACYL-ACP REDUCT HYDROXYACYL-COA DEHYDROGENASE. NAT.COMMUN. V. 5 4805 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO L:401;
M:402;
D:401;
P:401;
F:401;
E:402;
I:403;
I:402;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NAP L:301;
I:301;
N:301;
B:301;
C:301;
K:301;
P:301;
J:301;
G:301;
A:301;
F:301;
E:301;
O:301;
D:301;
M:301;
H:301;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Kd = 26.8 uM
743.405 C21 H28 N7 O17 P3 c1cc(...
GOL A:401;
E:401;
M:401;
I:401;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ACT P:501;
M:501;
H:501;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CQM 2.34 Å EC: 1.1.1.62 CRYSTAL STRUCTURE OF HETEROTETRAMERIC HUMAN KETOACYL REDUCTASE COMPLEXED WITH NAD AND NADP HOMO SAPIENS OXIDOREDUCTASE KAR KETOACYL REDUCTASE 3-KETOACYL-ACP REDUKE6 HSD8 17-BETA HYDROXYSTEROID DEHYDROGENASE HSD17B8 3HYDROXYACYL-COA DEHYDROGENASE CBR4 CARBOBYL REDUCTASE TYPNADH NADP NADPH HETERO TETRAMER
Ref.: INSIGHTS INTO MITOCHONDRIAL FATTY ACID SYNTHESIS FR STRUCTURE OF HETEROTETRAMERIC 3-KETOACYL-ACP REDUCT HYDROXYACYL-COA DEHYDROGENASE. NAT.COMMUN. V. 5 4805 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4CQM Kd = 26.8 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4CQM Kd = 26.8 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4CQM Kd = 26.8 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 4CQM; Ligand: NAP; Similar sites found with APoc: 994
This union binding pocket(no: 1) in the query (biounit: 4cqm.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 6CS9 PIO None
2 1DCP HBI None
3 1VE3 SAM 1.32159
4 4IV9 FAD 1.91571
5 1OC2 NAD 2.04918
6 1OC2 TDX 2.04918
7 5E9W SAH 2.04918
8 5FUB SAH 2.04918
9 3C3Y SAH 2.1097
10 4XUC SAM 2.29358
11 4XUC 43G 2.29358
12 1YS4 NAP 2.29885
13 1X87 NAD 2.29885
14 5ULP KB1 2.29885
15 4ZVV NAD 2.45902
16 4ZVV GN0 2.45902
17 3O9Z AKG 2.45902
18 3O9Z NAD 2.45902
19 1X9I G6Q 2.45902
20 3LCC SAH 2.55319
21 4JNJ BTN 2.6087
22 5BJX NAD 2.86885
23 5BJX UDP 2.86885
24 1SQF SAM 2.86885
25 4DCM SAM 2.86885
26 1G55 SAH 2.86885
27 3OA2 NAD 2.86885
28 3LKZ SFG 2.86885
29 3DUV KDO 2.86885
30 5CUQ NSC 2.86885
31 3FPF TNA 2.86885
32 2QA1 FAD 2.86885
33 2CDC XYP 2.86885
34 2CDC XYS 2.86885
35 2CDC NAP 2.86885
36 3FPF MTA 2.86885
37 1V8B NAD 2.86885
38 4DYG MES 2.86885
39 5IFK HPA 2.86885
40 1X14 NAD 2.99252
41 5Z75 NAD 3.06513
42 5IN4 6CK 3.06513
43 5IN4 GDP 3.06513
44 5IN4 NAP 3.06513
45 1LTH NAD 3.06513
46 3FXU TSU 3.06513
47 1P31 EPU 3.06513
48 2AQJ FAD 3.06513
49 2AQJ TRP 3.06513
50 5Y8L NAD 3.06513
51 5Y8L HUI 3.06513
52 5N5D SAM 3.09735
53 2GMM MAN MAN 3.1746
54 1Q8S MAN MMA 3.1746
55 2GNB MAN 3.1746
56 1UKG MMA 3.1746
57 2PHU MAN MAN 3.1746
58 3EHH ADP 3.21101
59 4G5H NAP 3.27869
60 4G5H UD7 3.27869
61 5W7M SAH 3.27869
62 4C4A SAH 3.27869
63 2ZWA SAH 3.27869
64 3OZG SSI 3.27869
65 2WK1 SAH 3.27869
66 3WQQ IB3 3.27869
67 3WQQ NDP 3.27869
68 5TTJ FAD 3.27869
69 3S5W NAP 3.27869
70 4KP7 NAP 3.27869
71 1IM8 SAI 3.27869
72 1BZL GCG 3.27869
73 4KP7 1UQ 3.27869
74 6BQ6 TER 3.32326
75 4YMH SAH 3.33333
76 5MDH NAD 3.44828
77 4MDH NAD 3.44828
78 1FP2 SAH 3.44828
79 4J36 FAD 3.44828
80 1GR0 NAD 3.44828
81 4J36 1HR 3.44828
82 4IPN 1FT 3.44828
83 3P2E SAH 3.55556
84 3ABI NAD 3.68852
85 2CDU ADP 3.68852
86 2UYQ SAM 3.68852
87 2JJQ SAH 3.68852
88 1X7D ORN 3.68852
89 1X7D NAD 3.68852
90 2CDU FAD 3.68852
91 5U5G NAP 3.68852
92 2CVZ NDP 3.68852
93 4BVA NDP 3.68852
94 1WP4 NDP 3.68852
95 2VVM FAD 3.68852
96 1LVL NAD 3.68852
97 5BUK FAD 3.68852
98 2VVL FAD 3.68852
99 5UAV NDP 3.68852
100 1DSS NAD 3.68852
101 3AB1 FAD 3.68852
102 3NYC FAD 3.68852
103 3NYC IAR 3.68852
104 1CT9 GLN 3.68852
105 3PLN U5P 3.68852
106 2IXB A2G 3.68852
107 5UAV TFB 3.68852
108 2IXB NAD 3.68852
109 5YF9 NIO 3.68852
110 4BVA T3 3.68852
111 3GDH SAH 3.73444
112 3ZVS MLI 3.75
113 1SB8 UD2 3.83142
114 1SB8 NAD 3.83142
115 5ZEC NAP 3.83142
116 1UXG NAD 3.83142
117 1UXG FUM 3.83142
118 1ZGA SAH 3.83142
119 1OMO NAD 3.83142
120 2DFV NAD 3.83142
121 3A25 SAM 3.83142
122 1EBF NAD 3.83142
123 5LV1 78T 3.83142
124 1TUU ADP 3.83142
125 5Y77 FAD 3.83142
126 4PNE SAH 3.83142
127 2Z3Y F2N 3.83142
128 1REO FAD 3.83142
129 1TUU AMP 3.83142
130 1ZL9 GSH 3.86473
131 2PWY SAH 3.87597
132 3CBG SAH 3.87931
133 5Y1G NAD 4.09836
134 5Y1G AKB 4.09836
135 4TQG NDP 4.09836
136 1V6A TRE 4.09836
137 9LDT NAD 4.09836
138 9LDB NAD 4.09836
139 4NEC SAH 4.09836
140 5X9D 80F 4.09836
141 1WRA PC 4.09836
142 2PT9 2MH 4.09836
143 2I7C AAT 4.09836
144 1I8T FAD 4.09836
145 2PT9 S4M 4.09836
146 2I3G NAP 4.09836
147 3OJO NAD 4.09836
148 2IID PHE 4.09836
149 2IID FAD 4.09836
150 2P3V SRT 4.09836
151 1YJQ NAP 4.09836
152 5TS5 FAD 4.09836
153 2RHO GDP 4.09836
154 5XLX SAH 4.09836
155 1Q0H NDP 4.09836
156 1Q0H FOM 4.09836
157 3QOX SAH 4.09836
158 5JY6 NAD 4.09836
159 3LST SAH 4.09836
160 5GM1 SAH 4.09836
161 3X0V FAD 4.09836
162 3WV8 ATP 4.12844
163 3OFK SAH 4.16667
164 1QSC ACE TYR PRO ILE GLN GLU THR 4.18848
165 2HJR APR 4.21456
166 5O9F 9ON 4.21456
167 5O9F NAD 4.21456
168 5T9E NAP 4.21456
169 2CVQ NDP 4.21456
170 4E13 NAD 4.21456
171 2WEL K88 4.21456
172 6ECU SAH 4.21456
173 6ECW SAH 4.21456
174 2GK6 ADP 4.21456
175 5GSN NAP 4.21456
176 5GSN FAD 4.21456
177 3SQP FAD 4.21456
178 5GSN MMZ 4.21456
179 1ZK7 FAD 4.21456
180 1H6C SIN 4.21456
181 5DXA SFG 4.21456
182 5KAX RHQ 4.21687
183 1TE2 PGA 4.42478
184 2AK3 AMP 4.42478
185 2C5A NAD 4.5082
186 2C5A GDC 4.5082
187 1O6Z NAD 4.5082
188 1GUZ NAD 4.5082
189 1VKO NAD 4.5082
190 2JB2 PHE 4.5082
191 2JB2 FAD 4.5082
192 6AIN FAD 4.5082
193 2Q28 ADP 4.5082
194 5YU3 PRO 4.5082
195 5YU3 NAD 4.5082
196 3GD4 FAD 4.5082
197 3GD4 NAD 4.5082
198 2ZXI FAD 4.5082
199 1BC5 SAH 4.5082
200 1TZD ADP 4.5082
201 4DPL NAP 4.5082
202 4GUT FAD 4.5082
203 3K7M FAD 4.5082
204 4FWE FAD 4.5082
205 1F8F NAD 4.5082
206 5NMX FAD 4.5082
207 5NMX NAP 4.5082
208 1Q9I TEO 4.5082
209 1Q9I FAD 4.5082
210 1NE7 16G 4.5082
211 5B2E MQG 4.5082
212 1P1C SAH 4.52261
213 5E8J SAH 4.54545
214 3MQ2 SAH 4.58716
215 1KEW NAD 4.5977
216 1KEW TYD 4.5977
217 5K4W NAI 4.5977
218 5K4W THR 4.5977
219 1HYE NAP 4.5977
220 4L8V NAP 4.5977
221 3CGD FAD 4.5977
222 1E5Q NDP 4.5977
223 3CGD NAD 4.5977
224 3CGD COA 4.5977
225 5ME4 HP4 4.5977
226 3HAD NAD 4.5977
227 3B1F NAD 4.5977
228 5J60 FAD 4.5977
229 1YKJ FAD 4.5977
230 1YKJ PHB 4.5977
231 3L4S NAD 4.5977
232 5TOW ADN 4.5977
233 5TOW NAI 4.5977
234 5D4V SAH 4.5977
235 3L4S 3PG 4.5977
236 1PL6 NAD 4.5977
237 1PL6 572 4.5977
238 3TLJ SAH 4.5977
239 2RAB FAD 4.5977
240 2B5W NAP 4.5977
241 2RAB NAD 4.5977
242 2HNK SAH 4.60251
243 3N8K D1X 4.65116
244 3HCH RSM 4.79452
245 1C3V NDP 4.89796
246 1ORR NAD 4.91803
247 4D3F NAP 4.91803
248 5OCM NAP 4.91803
249 5HJM MTA 4.91803
250 1GZ4 ATP 4.91803
251 5X68 FAD 4.91803
252 6ECT SAM 4.91803
253 5LOG SAH 4.91803
254 5AOV NAP 4.91803
255 4U8P FDA 4.91803
256 4U8P UDP 4.91803
257 2OBF SAH 4.91803
258 4USQ FAD 4.91803
259 2VN9 GVD 4.91803
260 3UCL NAP 4.91803
261 2OBF F83 4.91803
262 6F7L FAD 4.97738
263 5MLR NAP 4.98084
264 5MLR GRQ 4.98084
265 2PZM NAD 4.98084
266 2PZM UDP 4.98084
267 1T26 NAI 4.98084
268 1T26 GBD 4.98084
269 5W7K SAH 4.98084
270 4DSG FAD 4.98084
271 4DSG UDP 4.98084
272 3SSO SAH 4.98084
273 3SUC ATP 4.98084
274 3OND ADN 4.98084
275 3OND NAD 4.98084
276 5G3U ITW 4.98084
277 5G3U FDA 4.98084
278 4UP3 NDP 4.98084
279 5KOX RFP 4.98084
280 5KOX FAD 4.98084
281 1B8U NAD 4.98084
282 1B8U OAA 4.98084
283 2NVK FAD 4.98084
284 6ER9 FAD 4.98084
285 4C3Y FAD 4.98084
286 4C3Y ANB 4.98084
287 4CJX NAP 4.98084
288 5YEC ATP 5.04202
289 5T2Y 753 5.05051
290 5EES NAP 5.26316
291 3KO8 NAD 5.32787
292 4D79 ATP 5.32787
293 1GV0 NAD 5.32787
294 4XQC 13D 5.32787
295 4RDH AMP 5.32787
296 4XQC NAD 5.32787
297 5UR0 NAD 5.32787
298 1U3U BNF 5.32787
299 1U3U NAD 5.32787
300 4RDI ATP 5.32787
301 2DKH FAD 5.32787
302 5UAO FAD 5.32787
303 2DKH 3HB 5.32787
304 4YCA NDP 5.32787
305 5JJR SAH 5.32787
306 2NV2 GLN 5.32787
307 6FDF SAH 5.36398
308 6C4T NA7 5.36398
309 4KRG SAH 5.36398
310 1I9G SAM 5.36398
311 3VSE SAH 5.36398
312 3H9E NAD 5.36398
313 1KYZ SAH 5.36398
314 4MO2 FAD 5.36398
315 4MO2 FDA 5.36398
316 3AYI FAD 5.36398
317 3AYI HCI 5.36398
318 1YY5 FAD 5.36398
319 4KRI SAH 5.36398
320 5EZ7 FAD 5.36398
321 4I5I NAD 5.36398
322 1GQ2 NAP 5.36398
323 6DUB SAH 5.40541
324 5CAE COA 5.43131
325 2XVM SAH 5.52764
326 3FUU ADN 5.53506
327 5M58 SAH 5.65217
328 4GLL NAD 5.7377
329 2V6G NAP 5.7377
330 2WA2 SAM 5.7377
331 4J4H NAI 5.7377
332 4J4H 1J1 5.7377
333 3BAZ NAP 5.7377
334 4JK3 NAD 5.7377
335 2Z9I GLY ALA THR VAL 5.7377
336 4B4U NAP 5.7377
337 6F3M NAD 5.7377
338 5EIN NAP 5.7377
339 6F3N NAD 5.7377
340 6F3N ADN 5.7377
341 1U2Z SAH 5.7377
342 4A6D SAM 5.7377
343 2IVD FAD 5.7377
344 2AG8 NAP 5.7377
345 5KVA SAM 5.7377
346 2OOR NAD 5.74713
347 1F8G NAD 5.74713
348 5BW4 SAM 5.74713
349 5T9F NAP 5.74713
350 5T9F TYR 5.74713
351 1RJD SAM 5.74713
352 4YUW 4JU 5.74713
353 1VJT NAD 5.74713
354 6F97 FAD 5.74713
355 4REP FAD 5.74713
356 4YUW S4M 5.74713
357 2EG5 SAH 5.74713
358 5FI3 NAP 5.74713
359 2B9J ADP 5.74713
360 2J8R MSL 5.81395
361 1RL4 BRR 5.85106
362 3BXO SAM 5.85774
363 3EW2 BTN 5.92593
364 6HDT BTN 6.01504
365 1EJ0 SAM 6.11111
366 4PVD NDP 6.13027
367 3WMX NAD 6.13027
368 5DNK SAH 6.13027
369 3GU3 SAH 6.13027
370 2FZW NAD 6.13027
371 3X0D SAH 6.13027
372 1E1M FAD 6.13027
373 1E1M NAP 6.13027
374 5JIB OIA 6.13027
375 2Q1W NAD 6.14754
376 6A0S HSE 6.14754
377 6A0S NDP 6.14754
378 1MUU NAD 6.14754
379 5XVH NAP 6.14754
380 1QAN SAH 6.14754
381 2VHW NAI 6.14754
382 5FTW SAH 6.14754
383 4MP8 MLI 6.14754
384 4MP8 NAD 6.14754
385 3A4T SFG 6.14754
386 1XHC FAD 6.14754
387 1H9A NAP 6.14754
388 1FX8 BOG 6.14754
389 5LVP ATP 6.14754
390 1QO8 FAD 6.14754
391 4XDY NAI 6.14754
392 5X20 NAD 6.14754
393 1R18 SAH 6.1674
394 1Q0S SAH 6.17761
395 2BKA NDP 6.19835
396 5E1M SAH 6.22407
397 3MB5 SAM 6.27451
398 3KB6 NAD 6.28743
399 5OCQ CIT 6.31579
400 4JNA FAD 6.47059
401 1P77 ATR 6.51341
402 3PT9 SAH 6.51341
403 2YX1 SFG 6.51341
404 3BOF HCS 6.51341
405 1Q8A HCS 6.51341
406 3UOY NAP 6.51341
407 3UOY FAD 6.51341
408 1U8X NAD 6.51341
409 5JGL SAM 6.51341
410 2NPX FAD 6.51341
411 2NPX NAD 6.51341
412 2WPF WPF 6.51341
413 2WPF FAD 6.51341
414 1I2B USQ 6.55738
415 1I2B NAD 6.55738
416 1I2B UPG 6.55738
417 1EQ2 NAP 6.55738
418 4GKV NAD 6.55738
419 1PZG A3D 6.55738
420 2A92 NAI 6.55738
421 1MV8 NAD 6.55738
422 2JHF NAD 6.55738
423 1NYT NAP 6.55738
424 6GAR FAD 6.55738
425 5HSA FAS 6.55738
426 5KVS NAP 6.55738
427 2JHP SAH 6.55738
428 4JJJ CBK 6.55738
429 1FDJ 13P 6.55738
430 5E70 RCD 6.55738
431 3C6K MTA 6.55738
432 3C6K SPD 6.55738
433 2DBZ NAP 6.58683
434 3LU1 NAD 6.59341
435 5OJL TXP 6.71141
436 5MIT NAP 6.72783
437 5MIT FAD 6.72783
438 3BU1 HSM 6.75676
439 5MGZ SAH 6.77966
440 1P19 IMP 6.78733
441 1VL0 NAI 6.84932
442 3H8V ATP 6.84932
443 1Y1P NMN AMP PO4 6.89655
444 5JAQ NAI 6.89655
445 4UCI SAM 6.89655
446 1NVM NAD 6.89655
447 1JQ3 AAT 6.89655
448 2E5V FAD 6.89655
449 1COY FAD 6.89655
450 5JCM NAD 6.89655
451 5JCM ISD 6.89655
452 5JCM FAD 6.89655
453 3S1S SAH 6.89655
454 4EMI FAD 6.89655
455 6GAS FAD 6.94864
456 3CIF NAD 6.96379
457 3CIF G3H 6.96379
458 4R1S NAP 6.96721
459 1SOW NAD 6.96721
460 3T31 FAD 6.96721
461 3T31 DCQ 6.96721
462 5VN0 FAD 6.96721
463 1N7G NDP 6.96721
464 3CGB FAD 6.96721
465 1N7G GDR 6.96721
466 3AXB FAD 6.96721
467 3AXB PRO 6.96721
468 4AP3 FAD 6.96721
469 4AP3 NAP 6.96721
470 1RYI FAD 6.96721
471 1NW5 SAM 6.96721
472 1RYI GOA 6.96721
473 5VN0 NAI 6.96721
474 1H5R THM 6.96721
475 1H5S TMP 6.96721
476 1OBB NAD 6.96721
477 2VT3 ATP 6.97674
478 1S7G APR 7.11462
479 1S7G NAD 7.11462
480 2DC1 NAD 7.20339
481 5ZZ6 ADP 7.21154
482 5ZZ6 NAD 7.21154
483 3I6B KDO 7.22222
484 2EV9 SKM 7.22433
485 2EV9 NAP 7.22433
486 6DNT NAD 7.27969
487 1GY8 NAD 7.27969
488 1LDM NAD 7.27969
489 4RSL FAD 7.27969
490 4OOE FOM 7.27969
491 4OOE NDP 7.27969
492 1K3A ACP 7.27969
493 2H7C SIA 7.27969
494 5YB7 FAD 7.27969
495 1M3U KPL 7.27969
496 5YB7 ORN 7.27969
497 5OOH NAP 7.28155
498 5OOH 9ZZ 7.28155
499 2X6T NAP 7.37705
500 5DF1 NAP 7.37705
501 5DF1 58X 7.37705
502 2GZ3 NAP 7.37705
503 3CMC NAD 7.37705
504 1R37 NAD 7.37705
505 3T2W BTN 7.37705
506 3ULK NDP 7.37705
507 3VYW SAM 7.37705
508 1CDO NAD 7.37705
509 3QVP FAD 7.37705
510 3HDY GDU 7.37705
511 2RGJ FAD 7.37705
512 3HDY FDA 7.37705
513 4POO SAM 7.5
514 1KUJ MMA 7.5188
515 1A5Z NAD 7.52351
516 4PLG NAI 7.66284
517 4PLG OXM 7.66284
518 5WP5 SAH 7.66284
519 1UWK URO 7.66284
520 1UWK NAD 7.66284
521 5THY SAH 7.66284
522 3GCZ SAM 7.66284
523 5TC4 NAD 7.66284
524 5M67 3D1 7.66284
525 5M67 ADE 7.66284
526 5M67 NAD 7.66284
527 5THZ SAH 7.66284
528 1LUA NAP 7.66284
529 2R4J FAD 7.66284
530 2R4J 13P 7.66284
531 4Z0H NAD 7.66284
532 2EJU SAH 7.66284
533 4C1K PEP 7.66284
534 3FPZ AHZ 7.66284
535 4RYV ZEA 7.74194
536 6BWL NAD 7.78689
537 2YY7 NAD 7.78689
538 5MSO NAP 7.78689
539 5NUF NAD 7.78689
540 5NUE NAD 7.78689
541 4KIB SAH 7.78689
542 1FP1 SAH 7.78689
543 3EVG SAH 7.78689
544 1DJN ADP 7.78689
545 3KLJ FAD 7.78689
546 2P41 SAH 7.78689
547 1GTE FAD 7.78689
548 4M73 SAH 7.78689
549 1RSG FAD 7.78689
550 4M73 M72 7.78689
551 1SC6 NAD 7.78689
552 1VQW FAD 7.78689
553 2GVC FAD 7.78689
554 1EK6 NAI 8.04598
555 1EK6 UPG 8.04598
556 1EZ4 NAD 8.04598
557 5A1T NAI 8.04598
558 1PJS NAD 8.04598
559 5A1T OXM 8.04598
560 4PLT NAI 8.04598
561 4R5M NAP 8.04598
562 4PLT OXM 8.04598
563 3LZW NAP 8.04598
564 3LZW FAD 8.04598
565 5OC1 FAD 8.04598
566 3H5N ATP 8.04598
567 1YKD CMP 8.04598
568 5Z20 NAI 8.04598
569 5A0U CHT 8.04598
570 1PS9 NAP 8.04598
571 4R5M 4NO 8.04598
572 4MIG G3F 8.04598
573 1PS9 FAD 8.04598
574 3BGD SAH 8.07692
575 5L4S NAP 8.19672
576 5L4S 6KX 8.19672
577 4U7W NDP 8.19672
578 6EL3 NAP 8.19672
579 4EUE NAI 8.19672
580 5NA1 FAD 8.19672
581 4LWP SAH 8.19672
582 1SAY PYR 8.19672
583 3T7S SAM 8.19672
584 3C1O NAP 8.19672
585 3TWO NDP 8.19672
586 1C0I BE2 8.19672
587 1C0I FAD 8.19672
588 3WLE NAD 8.19672
589 5Z2F NAP 8.19672
590 2YVJ NAI 8.25688
591 2PXX SAH 8.37209
592 5BSZ SAH 8.4
593 4AF5 CIT 8.42105
594 2DTJ THR 8.42697
595 3AB4 THR 8.42697
596 2Q1S NAI 8.42912
597 1LDN NAD 8.42912
598 1RM0 D6P 8.42912
599 4OM8 NAD 8.42912
600 1RM0 NAI 8.42912
601 5IL1 SAM 8.42912
602 5K7U SAM 8.42912
603 2Q0L NAP 8.42912
604 3CF6 SP1 8.42912
605 3RFA SAM 8.42912
606 3KIF GDL 8.49057
607 2IZ1 ATR 8.60656
608 2G5C NAD 8.60656
609 5N6C NAD 8.60656
610 3E1T FAD 8.60656
611 4MOP 2H5 8.60656
612 3GGO ENO 8.60656
613 3GGO NAI 8.60656
614 5E9G GLV 8.60656
615 5NM7 GLY 8.64662
616 1UDB UFG 8.81226
617 1UDB NAD 8.81226
618 1DLJ UGA 8.81226
619 1DLJ NAI 8.81226
620 4K5S PM0 8.81226
621 4K5S FAD 8.81226
622 5ERG SAM 8.81226
623 1D4D FAD 8.81226
624 5I39 FAD 8.81226
625 1QK3 5GP 9.01288
626 2XYQ SAH 9.01639
627 4N49 SAM 9.01639
628 5H81 NAP 9.01639
629 4RQU NAD 9.01639
630 2Y6Q FAD 9.01639
631 2Y6Q I7T 9.01639
632 1H82 GZZ 9.01639
633 1H82 FAD 9.01639
634 5J5Z FAD 9.01639
635 2WET FAD 9.01639
636 5K0A FAD 9.01639
637 5U8U FAD 9.01639
638 4QTU SAM 9.13461
639 3DXY SAM 9.17431
640 3O7W SAM 9.1954
641 3VPH NAD 9.1954
642 3VPH OXM 9.1954
643 2HYV UAP SGN IDS SGN IDS 9.1954
644 3WGT FAD 9.1954
645 1LLU NAD 9.1954
646 1WDK NAD 9.1954
647 3WGT QSC 9.1954
648 5KOK SAH 9.1954
649 5ZYN FAD 9.1954
650 3LE7 ADE 9.1954
651 5FJN BE2 9.1954
652 5FJN FAD 9.1954
653 3NTA FAD 9.1954
654 3NTD FAD 9.1954
655 1HKU NAD 9.21788
656 3EGI ADP 9.2233
657 4EMJ FAD 9.34579
658 1VBO MAN MAN MAN 9.39597
659 2GN4 UD1 9.42623
660 2GN4 NDP 9.42623
661 4OBW SAM 9.42623
662 2ZJ1 ARJ 9.42623
663 2ZJ1 NAD 9.42623
664 6AA8 NAD 9.42623
665 4KOA NDP 9.42623
666 2VUT NAD 9.42623
667 1TI7 NAP 9.42623
668 2Q7V FAD 9.42623
669 4M37 SAH 9.42623
670 1YQZ FAD 9.42623
671 3GWZ SAH 9.42623
672 2B1N LYS ALA SER VAL GLY 9.42623
673 3GXO SAH 9.42623
674 1PN0 FAD 9.42623
675 6CEP NAD 9.57854
676 6CEP OXM 9.57854
677 1ZQ9 SAM 9.57854
678 3NJ4 NAD 9.57854
679 2B4R NAD 9.57854
680 3NJ4 AFX 9.57854
681 2B4R AES 9.57854
682 2C7G FAD 9.57854
683 2C7G ODP 9.57854
684 1M0S CIT 9.58904
685 3JWH SAH 9.67742
686 2HMT NAI 9.72222
687 3O26 NDP 9.83607
688 5KKA 6V0 9.83607
689 5F8F SFG 9.83607
690 4LHD GLY 9.83607
691 1G60 SAM 9.83607
692 1J49 NAD 9.83607
693 2NU8 COA 9.83607
694 5JWC FAD 9.83607
695 1HDG NAD 9.83607
696 5U5N NAD 9.83607
697 5N0J FAD 9.83607
698 1UP7 NAD 9.96169
699 4RPL FAD 9.96169
700 4RPL 3UC 9.96169
701 5G6U TRP 9.96169
702 5E72 SAM 9.96169
703 5L95 AMP 10
704 2PKA BEN 10
705 4FZV SAM 10.0418
706 4YSX FAD 10.1064
707 1HYH NAD 10.2459
708 2QRK AMP 10.2459
709 1D1T NAD 10.2459
710 3GRU AMP 10.2459
711 1KEV NDP 10.2459
712 5XNC MTA 10.3448
713 3I6I NDP 10.3448
714 4II2 ATP 10.3448
715 5JCA NDP 10.3448
716 5JCA FAD 10.3448
717 1RM4 NDP 10.3448
718 2CUL FAD 10.3448
719 2NAD NAD 10.3448
720 5HXI 5HN 10.3448
721 5HXI FAD 10.3448
722 5C2N NAG 10.4167
723 2DT5 NAD 10.4265
724 1WY7 SAH 10.628
725 1RPN NDP 10.6557
726 5BVA FAD 10.6557
727 2XVE FAD 10.6557
728 4YRY NAD 10.6557
729 2XVF FAD 10.6557
730 4YRY FAD 10.6557
731 1J0X NAD 10.728
732 1O94 ADP 10.728
733 1VM6 NAD 10.9649
734 5MPT SAH 11.0656
735 5Z21 NAI 11.0656
736 3G5S FAD 11.0656
737 4JDR FAD 11.1111
738 5N2I NAP 11.2069
739 3DUW SAH 11.2108
740 1JAY NAP 11.3208
741 1LSS NAD 11.4286
742 2Q46 NAP 11.4625
743 1E7S NAP 11.4754
744 2EXX NAP 11.4754
745 3A27 SAM 11.4754
746 5DN9 NAD 11.4754
747 1C1X NAD 11.4754
748 1BXG NAD 11.4754
749 3L9W AMP 11.4754
750 1BW9 NAD 11.4754
751 5F5N NAD 11.4943
752 3V1Y NAD 11.4943
753 2RGO FAD 11.4943
754 1Y8Q ATP 11.4943
755 3G4Q MCH 11.6438
756 4E5N NAD 11.8774
757 2VYN NAD 11.8852
758 3LJU IP9 11.8852
759 1GAD NAD 11.8852
760 4AZW SAM 11.8852
761 1NPD NAD 11.8852
762 2QZZ EMF 11.8852
763 2QZZ NAP 11.8852
764 5XWV 8H6 11.8952
765 5XWV NDP 11.8952
766 4Z7X 3CX 12.1849
767 3B1J NAD 12.2605
768 3B20 NAD 12.2605
769 2D2I NAP 12.2605
770 4EIP FAD 12.2605
771 1TL2 NDG 12.2881
772 1H2B NAJ 12.2951
773 5KMS NAD 12.2951
774 3GF4 UPG 12.5641
775 3GF4 FAD 12.5641
776 4XZ3 COA 12.6087
777 2FR1 NDP 12.6437
778 1KOL NAD 12.6437
779 3QJ4 FAD 12.6437
780 1CER NAD 12.6888
781 4XB2 NDP 12.7049
782 3A06 NDP 12.7049
783 2ZIF SAM 12.7049
784 4XB2 HSE 12.7049
785 3A06 FOM 12.7049
786 5AYV KPL 12.7049
787 5AYV NAP 12.7049
788 5FA8 SAM 12.7049
789 3G2O SAM 12.709
790 3ICS ADP 13.0268
791 3ICT ADP 13.0268
792 3ICT FAD 13.0268
793 3ICS FAD 13.0268
794 1CF2 NAP 13.0268
795 3ICR FAD 13.0268
796 2HK9 ATR 13.1148
797 2HK9 NAP 13.1148
798 2JL1 NAP 13.1148
799 3G89 SAM 13.253
800 1E6E FAD 13.2812
801 1JNR FAD 13.3333
802 1WVG APR 13.5246
803 1DRV A3D 13.5246
804 3DMH SAM 13.5246
805 4X9M FAD 13.7931
806 5MZI FAD 13.7931
807 5MZI FYK 13.7931
808 1V2A GTS 13.8095
809 1HDR NAD 13.9344
810 5WP4 SAH 13.9344
811 3ZNN FAD 13.9344
812 3ZNN 4WL 13.9344
813 5JE8 NAD 13.9344
814 1ZH8 NAP 13.9344
815 2YAB AMP 13.9344
816 1GPE FAD 14.3443
817 5L4L NAP 14.5594
818 5L4L 7OX 14.5594
819 3TKY SAH 14.5594
820 2VTD LKM 14.5594
821 2VDV SAM 14.6341
822 3QV1 NAD 14.6341
823 2PV7 NAD 14.7541
824 2BRY FAD 14.7541
825 1JG3 ADN 14.8936
826 3A4V PYR 14.9425
827 3A4V NAD 14.9425
828 1V59 NAD 14.9425
829 1V59 FAD 14.9425
830 1NVT NAP 15.1639
831 6BII NAP 15.1639
832 4D04 NAP 15.1639
833 4D04 FAD 15.1639
834 6C4N NAP 15.7088
835 4PIV NDP 15.9836
836 1GPJ CIT 15.9836
837 3Q87 SAM 16
838 1BXK NAD 16.092
839 4UP5 94W 16.1616
840 2GSD NAD 16.4751
841 5WGR FAD 16.4751
842 4BQS K2Q 16.4773
843 1E3I CXF 16.8033
844 4OPC FDA 16.8033
845 4OPC PGT 16.8033
846 2GAG FAD 17.1717
847 2GAG NAD 17.1717
848 2GAG FOA 17.1717
849 6D6Y SAH 17.2131
850 2F1K NAP 17.623
851 1I36 NAP 17.623
852 5LD5 NAD 17.6245
853 3GFB NAD 17.6245
854 4JLS 3ZE 18.4211
855 3RFV NAI 18.7739
856 3RFV 15L 18.7739
857 1KYQ NAD 18.7739
858 4DMG SAM 19.084
859 5ZW3 SAH 19.1111
860 1O0S NAI 19.1571
861 3AD8 FAD 19.1919
862 3AD8 PYC 19.1919
863 1D7O TCL 19.2623
864 1D7O NAD 19.2623
865 5LPG 71V 19.5122
866 5ZI2 NAD 19.6721
867 5ZI2 ADP 19.6721
868 4HXY NDP 19.863
869 4HXY ACA 19.863
870 4GGZ BTN 20
871 4HSU FAD 20
872 1Z45 NAD 20.4918
873 1FK8 NAD 20.9016
874 1RKX NAD 21.4559
875 1J5P NAD 21.7391
876 4ZRN NAD 22.1311
877 4ZRN UPG 22.1311
878 2C29 NAP 22.9508
879 2C29 DQH 22.9508
880 4KXQ APR 23.3333
881 1U1I NAD 23.4694
882 3WXB NDP 23.7548
883 4ZGS NAD 23.7705
884 6GKV SAH 23.7705
885 3RNM FAD 24.1379
886 4W6Z 8ID 24.1803
887 2PK3 A2R 24.2991
888 3RJ5 NAD 24.8032
889 4IXW IXW 25.1968
890 1R6D NAD 25.2874
891 1R6D DAU 25.2874
892 4CNK FAD 25.8197
893 4GQB 0XU 27.2727
894 3ORF NAD 27.459
895 4TXI FAD 28.2787
896 4GUS FAD 28.5714
897 4M38 SAH 28.5714
898 5FA5 MTA 30
899 4ZU3 4SD 31.2775
900 1XSE NDP 31.9672
901 4YAG NAI 32.7869
902 4J1Q NDP 33.1967
903 1P0F NAP 33.1967
904 4K26 NDP 33.6066
905 4K26 SFF 33.6066
906 4Q9N NAI 34.0164
907 3CH6 311 34.4262
908 3CH6 NAP 34.4262
909 4Y9D NAI 34.4828
910 5WQP NAP 34.6154
911 5WQP NCA 34.6154
912 1OAA OAA 35.2459
913 5GT9 NAP 35.2459
914 4J7U YTZ 35.6557
915 4J7U NAP 35.6557
916 2F5Z FAD 35.9375
917 1V35 NAI 36.0656
918 4YAC NAI 36.4754
919 3OJF NDP 36.8852
920 3OJF IMJ 36.8852
921 5O98 NAP 37.7049
922 4D42 NAP 37.9433
923 4D42 W0I 37.9433
924 1WMA NDP 38.1148
925 1WMA AB3 38.1148
926 1N5D NDP 38.1148
927 1Z6Z NAP 38.1148
928 5L53 NAP 38.9344
929 1SNY NAP 39.3443
930 1W8D NAP 39.7351
931 1W73 NAP 39.7351
932 4OHU NAD 39.7541
933 4OHU 2TK 39.7541
934 5I7S E9P 40.1639
935 5I7S NAD 40.1639
936 3OIG NAD 40.5738
937 2BD0 NAP 41.3934
938 1QG6 NAD 41.8033
939 1QG6 TCL 41.8033
940 5CG1 NAD BBN 41.8033
941 3TN7 NJP 43.0328
942 1NNU NAD 43.3333
943 1NNU TCT 43.3333
944 4O1M NAD 43.8525
945 2PD4 NAD 43.8525
946 2PD4 DCN 43.8525
947 2WYV NAD 44.2623
948 5G4L NDP 44.8276
949 2JAH NDP 45.082
950 1W6U NAP 45.082
951 2BGM NAJ 45.3237
952 5Z2L NDP 45.7143
953 4O0L NDP 45.9016
954 2JAP NDP 45.9016
955 1XG5 NAP 45.9016
956 1JA9 NDP 45.9854
957 2DKN NAI 46.3115
958 3H4V DVP 46.3602
959 3H4V NAP 46.3602
960 2AE2 PTO 46.5385
961 2AE2 NAP 46.5385
962 3GEG NAD 46.5587
963 4FC7 COA 46.7213
964 4FC7 NAP 46.7213
965 1BDB NAD 46.7433
966 1XKQ NDP 47.1311
967 5O42 9JW 47.541
968 5O42 BGC 47.541
969 5O42 NAD 47.541
970 1PR9 NAP 47.9508
971 3ZV6 4HB 47.9508
972 3ZV6 NAD 47.9508
973 3D3W NAP 47.9508
974 1HDC CBO 48.0315
975 1NFQ NAI 48.0769
976 5OJI NAP 48.0769
977 5OJI ISN 48.0769
978 2Q2V NAD 48.2353
979 1ZBQ NAD 48.2759
980 3SJU NDP 48.3607
981 3U4C NDP 48.3607
982 1O5I NAD 48.3607
983 5B4T 3HR 48.4615
984 5B4T NAD 48.4615
985 5GWT NAD 48.659
986 5GWT SIN 48.659
987 3AFN NAP 48.7705
988 1X1T NAD 48.8462
989 4KWI 1TJ 49.0494
990 4KWI NAP 49.0494
991 3ICC NAP 49.4118
992 5YSS NAD 49.6094
993 2DTX BMA 49.8084
994 3RKR NAP 49.8084
995 1AE1 NAP 50
Pocket No.: 2; Query (leader) PDB : 4CQM; Ligand: NAP; Similar sites found with APoc: 188
This union binding pocket(no: 2) in the query (biounit: 4cqm.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1WG8 SAM 1.63934
2 4EA7 JB2 2.72727
3 4EA7 COA 2.72727
4 3Q9T FAY 2.86885
5 1Q8Q MAN MMA 3.1746
6 1Q8P MAN MMA 3.1746
7 2PHR MAN MAN BMA MAN 3.1746
8 2PHT MAN MAN MAN 3.1746
9 1Q8V MAN MAN 3.1746
10 2PHF MAN MAN 3.1746
11 1Q8O MAN MMA 3.1746
12 2PHX MAN MAN 3.1746
13 2GNM MAN 3.1746
14 2PHW MAN MAN 3.1746
15 3S5W FAD 3.27869
16 1TDF NAP 3.27869
17 1TDF FAD 3.27869
18 1BZL FAD 3.27869
19 1PNO NAP 3.33333
20 5EB4 FAD 3.44828
21 1TB4 PEJ 3.68852
22 4B7X NAP 3.68852
23 1XCL SAH 3.82979
24 1K3T BRZ 3.83142
25 1Z82 NDP 4.09836
26 1F3L SAH 4.09836
27 4ZCC NAI 4.21456
28 4ZCC FAD 4.21456
29 6ARJ BW4 4.21456
30 1RYD NDP 4.21456
31 6ARJ SAH 4.21456
32 1H6C NDP 4.21456
33 5DX0 SFG 4.21456
34 5DX1 SFG 4.21456
35 5DWQ SFG 4.21456
36 5DX8 SFG 4.21456
37 6FHO FAD 4.21456
38 4UP4 GAL NAG 4.21456
39 3OZ2 FAD 4.21456
40 1N2X SAM 4.5082
41 1KNR FAD 4.5977
42 4IWN GEK 4.80349
43 3UCL FAD 4.91803
44 3UCL CYH 4.91803
45 1F06 2NP 4.91803
46 1F06 NDP 4.91803
47 4USR FAD 4.91803
48 5XWC 8GL 4.91803
49 5XWC 2IT