-->
Receptor
PDB id Resolution Class Description Source Keywords
1U7T 2 Å EC: 1.1.1.35 CRYSTAL STRUCTURE OF ABAD/HSD10 WITH A BOUND INHIBITOR HOMO SAPIENS PROTEIN-INHIBITOR COMPLEX ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF HUMAN ABAD/HSD10 WITH A BOUND INHIBITOR: IMPLICATIONS FOR DESIGN OF ALZHEIMER'S D THERAPEUTICS J.MOL.BIOL. V. 342 943 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD B:502;
Valid;
none;
Ki = 425 uM
663.425 C21 H27 N7 O14 P2 c1cc(...
TDT A:501;
C:503;
D:504;
Valid;
Valid;
Valid;
none;
none;
none;
ic50 = 92 nM
1026.86 C40 H44 N12 O15 P2 S c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U7T 2 Å EC: 1.1.1.35 CRYSTAL STRUCTURE OF ABAD/HSD10 WITH A BOUND INHIBITOR HOMO SAPIENS PROTEIN-INHIBITOR COMPLEX ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF HUMAN ABAD/HSD10 WITH A BOUND INHIBITOR: IMPLICATIONS FOR DESIGN OF ALZHEIMER'S D THERAPEUTICS J.MOL.BIOL. V. 342 943 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1U7T Ki = 425 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1E6W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1E3S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1U7T Ki = 425 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1U7T Ki = 425 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 230
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NHD 0.821429 0.972222
3 NAP 0.811966 0.986111
4 NFD 0.791304 0.946667
5 NXX 0.765766 0.972603
6 DND 0.765766 0.972603
7 AMP NAD 0.74359 0.972222
8 ZID 0.737705 0.986111
9 NAQ 0.729508 0.934211
10 NAE 0.721311 0.959459
11 NA0 0.712 0.972603
12 TAP 0.704 0.921053
13 NDE 0.689922 0.972603
14 NAJ 0.683333 0.972222
15 NDC 0.679389 0.934211
16 NDO 0.674603 0.958904
17 N01 0.656 0.972222
18 CNA 0.642276 0.972603
19 NBP 0.621212 0.922078
20 8ID 0.609756 0.922078
21 A2D 0.576923 0.958333
22 ADP 0.575472 0.931507
23 NGD 0.574803 0.922078
24 BA3 0.566038 0.958333
25 M33 0.564815 0.918919
26 ADP PO3 0.563636 0.957747
27 B4P 0.560748 0.958333
28 AP5 0.560748 0.958333
29 AN2 0.555556 0.918919
30 AT4 0.555556 0.894737
31 GAP 0.553571 0.932432
32 OOB 0.551724 0.972222
33 CA0 0.550459 0.932432
34 9JJ 0.546053 0.898734
35 HEJ 0.545455 0.931507
36 ACP 0.545455 0.906667
37 ATP 0.545455 0.931507
38 DQV 0.544 0.972222
39 ADP ALF 0.54386 0.883117
40 ALF ADP 0.54386 0.883117
41 DAL AMP 0.543103 0.945205
42 APR 0.540541 0.931507
43 AQP 0.540541 0.931507
44 AR6 0.540541 0.931507
45 5FA 0.540541 0.931507
46 ADP VO4 0.53913 0.945205
47 VO4 ADP 0.53913 0.945205
48 AD9 0.535714 0.906667
49 SAP 0.535714 0.883117
50 AGS 0.535714 0.883117
51 WAQ 0.533333 0.896104
52 ABM 0.53271 0.905405
53 DLL 0.529412 0.972222
54 00A 0.529412 0.921053
55 ACQ 0.526316 0.906667
56 NJP 0.526316 0.959459
57 ANP 0.526316 0.906667
58 OAD 0.525 0.932432
59 ADX 0.522523 0.839506
60 5AL 0.521739 0.945205
61 A1R 0.521008 0.871795
62 9SN 0.520325 0.909091
63 A 0.518868 0.930556
64 AMP 0.518868 0.930556
65 50T 0.517857 0.893333
66 ATF 0.517241 0.894737
67 1ZZ 0.516393 0.851852
68 3OD 0.516393 0.932432
69 SON 0.513514 0.92
70 PRX 0.513274 0.881579
71 6YZ 0.512821 0.906667
72 SRP 0.512821 0.92
73 9X8 0.512397 0.883117
74 ADP BMA 0.512397 0.932432
75 3UK 0.512397 0.958904
76 MYR AMP 0.512195 0.851852
77 NAJ PZO 0.510949 0.909091
78 NMN 0.509434 0.875
79 A3R 0.508333 0.871795
80 B5V 0.508197 0.945946
81 AMP DBH 0.507937 0.906667
82 A22 0.504202 0.945205
83 ATP A A A 0.504 0.971831
84 B5M 0.504 0.933333
85 FA5 0.504 0.945946
86 8QN 0.5 0.945205
87 NAX 0.496183 0.886076
88 TYR AMP 0.496063 0.933333
89 PR8 0.495935 0.8625
90 AMO 0.495868 0.92
91 ADQ 0.495868 0.932432
92 4AD 0.495868 0.933333
93 PAJ 0.495868 0.873418
94 A12 0.495495 0.894737
95 AP2 0.495495 0.894737
96 AHZ 0.492308 0.851852
97 YAP 0.492063 0.933333
98 FYA 0.491935 0.918919
99 AHX 0.491803 0.884615
100 4UU 0.488372 0.933333
101 5SV 0.487603 0.8375
102 TAT 0.487179 0.894737
103 T99 0.487179 0.894737
104 APC 0.486957 0.894737
105 SRA 0.486239 0.881579
106 6V0 0.484848 0.909091
107 NAI 0.484848 0.921053
108 GTA 0.484615 0.898734
109 A A 0.483871 0.958333
110 LAD 0.483871 0.873418
111 AU1 0.482456 0.906667
112 F2R 0.481752 0.831325
113 OMR 0.481203 0.841463
114 TXE 0.481203 0.921053
115 AF3 ADP 3PG 0.481203 0.873418
116 LAQ 0.480916 0.851852
117 G3A 0.48062 0.909091
118 B5Y 0.480315 0.933333
119 NB8 0.48 0.884615
120 TXA 0.48 0.92
121 BIS 0.48 0.871795
122 ME8 0.48 0.851852
123 PTJ 0.48 0.884615
124 139 0.477941 0.886076
125 LPA AMP 0.477273 0.851852
126 AFH 0.476923 0.873418
127 AR6 AR6 0.476923 0.958333
128 G5P 0.476923 0.909091
129 ARG AMP 0.476923 0.841463
130 25L 0.47619 0.945205
131 NAJ PYZ 0.475524 0.864198
132 25A 0.47541 0.958333
133 9ZA 0.47541 0.896104
134 9ZD 0.47541 0.896104
135 DZD 0.47482 0.897436
136 TXD 0.473684 0.921053
137 4UV 0.472868 0.933333
138 TYM 0.470149 0.945946
139 RBY 0.470085 0.894737
140 ADV 0.470085 0.894737
141 4TA 0.467626 0.864198
142 48N 0.466165 0.884615
143 XAH 0.465116 0.851852
144 4UW 0.462687 0.897436
145 M24 0.461538 0.886076
146 80F 0.460993 0.853659
147 IOT 0.459854 0.821429
148 T5A 0.456522 0.853659
149 EAD 0.455782 0.886076
150 MAP 0.455285 0.883117
151 GA7 0.454545 0.894737
152 BT5 0.453901 0.821429
153 A4P 0.452555 0.833333
154 UP5 0.451852 0.933333
155 PAP 0.445378 0.917808
156 4TC 0.445255 0.909091
157 AP0 0.445255 0.884615
158 YLP 0.444444 0.831325
159 P1H 0.443709 0.864198
160 AOC 0.442478 0.810811
161 Z5A 0.439189 0.833333
162 LMS 0.4375 0.817073
163 2A5 0.436975 0.857143
164 A G 0.43662 0.921053
165 G A A A 0.43662 0.909091
166 COD 0.43662 0.802326
167 ADJ 0.435714 0.841463
168 YLB 0.434783 0.831325
169 YLC 0.434783 0.851852
170 U A G G 0.433566 0.921053
171 ATR 0.433333 0.90411
172 7MD 0.432836 0.851852
173 8X1 0.432 0.764045
174 G5A 0.429752 0.790698
175 PO4 PO4 A A A A PO4 0.429688 0.943662
176 TAD 0.42963 0.873418
177 5AS 0.42735 0.770115
178 BTX 0.426573 0.831325
179 YLA 0.425532 0.831325
180 DSZ 0.425197 0.790698
181 NCN 0.424779 0.805556
182 UPA 0.42446 0.921053
183 8PZ 0.424242 0.811765
184 VMS 0.424 0.8
185 54H 0.424 0.8
186 9K8 0.423077 0.744444
187 N0B 0.422819 0.853659
188 6AD 0.422764 0.85
189 AYB 0.422535 0.821429
190 7D3 0.422414 0.844156
191 YLY 0.421769 0.821429
192 TSB 0.420635 0.809524
193 ODP 0.41958 0.922078
194 AV2 0.419355 0.855263
195 FB0 0.419355 0.775281
196 A5A 0.419355 0.819277
197 NNR 0.419048 0.739726
198 A A A 0.418605 0.918919
199 U A 0.417808 0.946667
200 649 0.417266 0.775281
201 NMN AMP PO4 0.416667 0.933333
202 SSA 0.416 0.790698
203 P5A 0.415385 0.755556
204 LSS 0.414062 0.772727
205 A2R 0.412698 0.918919
206 52H 0.412698 0.790698
207 JB6 0.412214 0.896104
208 5N5 0.411215 0.783784
209 YSA 0.410448 0.811765
210 53H 0.409449 0.790698
211 5CA 0.409449 0.790698
212 ITT 0.408333 0.878378
213 7D4 0.408333 0.844156
214 NA7 0.407692 0.894737
215 LEU LMS 0.407692 0.784091
216 5CD 0.407407 0.794521
217 0WD 0.406897 0.909091
218 A3P 0.40678 0.930556
219 HFD 0.406504 0.883117
220 AVV 0.40625 0.860759
221 RAB 0.40566 0.808219
222 XYA 0.40566 0.808219
223 ADN 0.40566 0.808219
224 FDA 0.405063 0.823529
225 GSU 0.40458 0.790698
226 7MC 0.404255 0.831325
227 NSS 0.403101 0.811765
228 6FA 0.402516 0.853659
229 PPS 0.4 0.817073
230 NVA LMS 0.4 0.784091
Ligand no: 2; Ligand: TDT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 TDT 1 1
2 NAJ PZO 0.53012 0.826087
3 NAJ PYZ 0.517647 0.791667
4 NMN AMP PO4 0.434286 0.804348
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U7T; Ligand: NAD; Similar sites found with APoc: 905
This union binding pocket(no: 1) in the query (biounit: 1u7t.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 2DC1 NAD 0.847458
2 1NYT NAP 1.14943
3 1KYZ SAH 1.53257
4 5X9D 80F 1.53257
5 3A27 SAM 1.53257
6 4EKV BTN 1.88679
7 5K4W NAI 1.91571
8 5K4W THR 1.91571
9 6CEP NAD 1.91571
10 6CEP OXM 1.91571
11 1YS4 NAP 1.91571
12 3O7W SAM 1.91571
13 5UAO FAD 1.91571
14 2A92 NAI 1.91571
15 5T9F TYR 1.91571
16 5T9F NAP 1.91571
17 5Z2F NAP 1.91571
18 3SSO SAH 1.91571
19 6FDF SAH 1.91571
20 5MBX FAD 1.91571
21 5MBX SP5 1.91571
22 2XVM SAH 2.01005
23 1QSC ACE TYR PRO ILE GLN GLU THR 2.09424
24 3EW2 BTN 2.22222
25 3MQ2 SAH 2.29358
26 1RKX NAD 2.29885
27 1RPN NDP 2.29885
28 1V6A TRE 2.29885
29 1GV0 NAD 2.29885
30 4ZVV NAD 2.29885
31 4ZVV GN0 2.29885
32 5ZI2 NAD 2.29885
33 5ZI2 ADP 2.29885
34 1R6D NAD 2.29885
35 1R6D DAU 2.29885
36 3OA2 NAD 2.29885
37 5O9F NAD 2.29885
38 5O9F 9ON 2.29885
39 4L8V NAP 2.29885
40 2EV9 SKM 2.29885
41 2EV9 NAP 2.29885
42 2Q7V FAD 2.29885
43 3OND ADN 2.29885
44 3OND NAD 2.29885
45 4BHL ARG 2.29885
46 4DPL NAP 2.29885
47 1J49 NAD 2.29885
48 5FI3 NAP 2.29885
49 5XNC MTA 2.29885
50 1GR0 NAD 2.29885
51 5ZZ6 ADP 2.40385
52 5ZZ6 NAD 2.40385
53 4ZU3 4SD 2.64317
54 1KEW NAD 2.68199
55 1KEW TYD 2.68199
56 3WMX NAD 2.68199
57 2C5A GDC 2.68199
58 2C5A NAD 2.68199
59 9LDT NAD 2.68199
60 9LDB NAD 2.68199
61 1PJS NAD 2.68199
62 1EZ4 NAD 2.68199
63 1X87 NAD 2.68199
64 1UWK URO 2.68199
65 1UWK NAD 2.68199
66 1SAY PYR 2.68199
67 1GZ4 ATP 2.68199
68 5X68 FAD 2.68199
69 5Z21 NAI 2.68199
70 3TWO NDP 2.68199
71 2ZJ1 ARJ 2.68199
72 2ZJ1 NAD 2.68199
73 1C0I FAD 2.68199
74 1C0I BE2 2.68199
75 1RYI GOA 2.68199
76 3G2O SAM 2.68199
77 1RYI FAD 2.68199
78 5J60 FAD 2.68199
79 5KMS NAD 2.68199
80 1O0S NAI 2.68199
81 1YJQ NAP 2.68199
82 2WK1 SAH 2.68199
83 2JB2 FAD 2.68199
84 2JB2 PHE 2.68199
85 4YCA NDP 2.68199
86 5A0U CHT 2.68199
87 5YU3 PRO 2.68199
88 5YU3 NAD 2.68199
89 2CDC XYP 2.68199
90 2CDC NAP 2.68199
91 4MO2 FDA 2.68199
92 5GUD NDP 2.68199
93 5BUK FAD 2.68199
94 4LWP SAH 2.68199
95 5J5Z FAD 2.68199
96 1PN0 FAD 2.68199
97 2CDC XYS 2.68199
98 1PN0 IPH 2.68199
99 3KLJ FAD 2.68199
100 4MO2 FAD 2.68199
101 5OJL TXP 2.68456
102 3MB5 SAM 2.7451
103 3KIF GDL 2.83019
104 3LCC SAH 2.97872
105 2GN4 UD1 3.06513
106 2GN4 NDP 3.06513
107 5MSO NAP 3.06513
108 4O1M NAD 3.06513
109 4XB2 NDP 3.06513
110 4D79 ATP 3.06513
111 1T26 NAI 3.06513
112 1T26 GBD 3.06513
113 1TI7 NAP 3.06513
114 3ICT ADP 3.06513
115 3ICS ADP 3.06513
116 3O9Z NAD 3.06513
117 3O9Z AKG 3.06513
118 2VUT NAD 3.06513
119 1OC2 NAD 3.06513
120 1OC2 TDX 3.06513
121 3ZNN FAD 3.06513
122 3ZNN 4WL 3.06513
123 1SOW NAD 3.06513
124 5UAV NDP 3.06513
125 4XB2 HSE 3.06513
126 3ICT FAD 3.06513
127 4RDH AMP 3.06513
128 3AYI HCI 3.06513
129 3AYI FAD 3.06513
130 3B20 NAD 3.06513
131 3AXB FAD 3.06513
132 1I9G SAM 3.06513
133 4RPL 3UC 3.06513
134 4RPL FAD 3.06513
135 5WP5 SAH 3.06513
136 5H81 NAP 3.06513
137 2BRY FAD 3.06513
138 4TXI FAD 3.06513
139 3AXB PRO 3.06513
140 4LHD GLY 3.06513
141 5Y77 FAD 3.06513
142 6GAR FAD 3.06513
143 3ICS FAD 3.06513
144 3ICR FAD 3.06513
145 5TWB FAD 3.06513
146 5MZI FYK 3.06513
147 5MZI FAD 3.06513
148 3B1J NAD 3.06513
149 3L9W AMP 3.06513
150 3VSE SAH 3.06513
151 3BAZ NAP 3.06513
152 5EOW FAD 3.06513
153 1DLJ UGA 3.06513
154 1DLJ NAI 3.06513
155 3EVG SAH 3.06513
156 5XLX SAH 3.06513
157 2D2I NAP 3.06513
158 4FWE FAD 3.06513
159 4RDI ATP 3.06513
160 2Q0L FAD 3.06513
161 1HKU NAD 3.06513
162 1Q0H NDP 3.06513
163 5UAV TFB 3.06513
164 1Q0H FOM 3.06513
165 1UP7 NAD 3.06513
166 5AYV NAP 3.06513
167 5WP4 SAH 3.06513
168 1YKD CMP 3.06513
169 5KOK SAH 3.06513
170 2R4J 13P 3.19361
171 2R4J FAD 3.19361
172 1QG6 NAD 3.44828
173 1QG6 TCL 3.44828
174 5CG1 NAD BBN 3.44828
175 1A5Z NAD 3.44828
176 1RM0 D6P 3.44828
177 1RM0 NAI 3.44828
178 2F1K NAP 3.44828
179 3A06 NDP 3.44828
180 3CMC NAD 3.44828
181 3V1Y NAD 3.44828
182 1HDG NAD 3.44828
183 4R5M NAP 3.44828
184 6A0S HSE 3.44828
185 6A0S NDP 3.44828
186 6C4N NAP 3.44828
187 1LVL NAD 3.44828
188 6AIN FAD 3.44828
189 1R37 NAD 3.44828
190 1U1I NAD 3.44828
191 5KOX FAD 3.44828
192 4R5M 4NO 3.44828
193 1HYH NAD 3.44828
194 3A06 FOM 3.44828
195 3H9E NAD 3.44828
196 5TS5 FAD 3.44828
197 5KOX RFP 3.44828
198 5G3U ITW 3.44828
199 1PS9 NAP 3.44828
200 3BJE URA 3.44828
201 1PS9 FAD 3.44828
202 5AOV NAP 3.44828
203 5G3U FDA 3.44828
204 6BII NAP 3.44828
205 1H5S TMP 3.44828
206 4Z0H NAD 3.44828
207 2RGJ FAD 3.44828
208 1H5R THM 3.44828
209 4K5S PM0 3.44828
210 4K5S FAD 3.44828
211 1GPM CIT 3.44828
212 5F5N NAD 3.46021
213 2BKA NDP 3.71901
214 2VT3 ATP 3.72093
215 3BXO SAM 3.76569
216 4GLL NAD 3.83142
217 2YY7 NAD 3.83142
218 4PVD NDP 3.83142
219 6EL3 NAP 3.83142
220 2HJR APR 3.83142
221 2V6G NAP 3.83142
222 1V35 NAI 3.83142
223 3I6I NDP 3.83142
224 4RSL FAD 3.83142
225 2VYN NAD 3.83142
226 1PL6 NAD 3.83142
227 3GGO NAI 3.83142
228 3GGO ENO 3.83142
229 1GAD NAD 3.83142
230 1E1M NAP 3.83142
231 1E1M FAD 3.83142
232 3T31 FAD 3.83142
233 3T31 DCQ 3.83142
234 3C1O NAP 3.83142
235 3NJ4 AFX 3.83142
236 3NJ4 NAD 3.83142
237 4OPC FDA 3.83142
238 1DJN ADP 3.83142
239 4OPC PGT 3.83142
240 2AQJ TRP 3.83142
241 1O94 ADP 3.83142
242 2Y6Q I7T 3.83142
243 2Y6Q FAD 3.83142
244 3NYC IAR 3.83142
245 3NYC FAD 3.83142
246 1EBF NAD 3.83142
247 5F8F SFG 3.83142
248 1FP1 SAH 3.83142
249 1X7D ORN 3.83142
250 6A3J NAI 3.83142
251 6ER9 FAD 3.83142
252 2G5C NAD 3.83142
253 1Y8Q ATP 3.83142
254 2I3G NAP 3.83142
255 3WQQ NDP 3.83142
256 3WQQ IB3 3.83142
257 1X7D NAD 3.83142
258 6ER9 NAP 3.83142
259 2DBZ NAP 3.83142
260 1PL6 572 3.83142
261 2Z3Y F2N 3.83142
262 3PLN U5P 3.83142
263 1O9P MLA 3.83142
264 4J4H NAI 3.861
265 4J4H 1J1 3.861
266 2PWY SAH 3.87597
267 1EJ0 SAM 3.88889
268 1DQN IMU 3.91304
269 1J5P NAD 3.95257
270 3WV8 ATP 4.12844
271 4TQG NDP 4.21456
272 1Y1P NMN AMP PO4 4.21456
273 5MDH NAD 4.21456
274 4D42 W0I 4.21456
275 4D42 NAP 4.21456
276 4MDH NAD 4.21456
277 5MLR NAP 4.21456
278 5LD5 NAD 4.21456
279 5MLR GRQ 4.21456
280 1MUU NAD 4.21456
281 2DKH FAD 4.21456
282 4DSG FAD 4.21456
283 4DSG UDP 4.21456
284 1MV8 NAD 4.21456
285 2DKH 3HB 4.21456
286 2QZZ EMF 4.21456
287 2QZZ NAP 4.21456
288 4MOP 2H5 4.21456
289 1VKO NAD 4.21456
290 5BVA FAD 4.21456
291 4NEC SAH 4.21456
292 1YKJ PHB 4.21456
293 1YKJ FAD 4.21456
294 4CJX NAP 4.21456
295 4EIP FAD 4.21456
296 5XVH NAP 4.21456
297 4WOE 3S5 4.21456
298 3QJ4 FAD 4.21456
299 1DRV A3D 4.21456
300 4MP8 NAD 4.21456
301 4MP8 MLI 4.21456
302 5YAP NAI 4.21456
303 2NAD NAD 4.21456
304 2XVE FAD 4.21456
305 4D04 NAP 4.21456
306 4D04 FAD 4.21456
307 5ZBC FAD 4.21456
308 2XVF FAD 4.21456
309 5YAP 8S0 4.21456
310 1CDO NAD 4.21456
311 2JJQ SAH 4.21456
312 5U5N NAD 4.21456
313 2P9H IPT 4.21456
314 1GQ2 NAP 4.21456
315 2PD4 DCN 4.5977
316 2PD4 NAD 4.5977
317 2HK9 ATR 4.5977
318 2PZM NAD 4.5977
319 2PZM UDP 4.5977
320 2UYQ SAM 4.5977
321 1LDM NAD 4.5977
322 2CDU FAD 4.5977
323 2PV7 NAD 4.5977
324 2CDU ADP 4.5977
325 5OC1 FAD 4.5977
326 2JHF NAD 4.5977
327 4M52 FAD 4.5977
328 3NTD FAD 4.5977
329 3CTY FAD 4.5977
330 1I8T FAD 4.5977
331 1CF2 NAP 4.5977
332 5Z20 NAI 4.5977
333 2HK9 NAP 4.5977
334 2JHP SAH 4.5977
335 5TTJ FAD 4.5977
336 1TB4 PEJ 4.5977
337 1VJT NAD 4.5977
338 3GRU AMP 4.5977
339 5D4V SAH 4.5977
340 4JNA FAD 4.5977
341 2GV8 FAD 4.5977
342 2GVC FAD 4.5977
343 1OMO NAD 4.5977
344 1JAY NAP 4.71698
345 3H8V ATP 4.79452
346 1NNU NAD 4.80349
347 1NNU TCT 4.80349
348 1VM6 NAD 4.82456
349 1C3V NDP 4.89796
350 1QAN SAH 4.91803
351 1D7O NAD 4.98084
352 1D7O TCL 4.98084
353 4GKV NAD 4.98084
354 2JL1 NAP 4.98084
355 5UR0 NAD 4.98084
356 4OOE FOM 4.98084
357 4OOE NDP 4.98084
358 1BW9 NAD 4.98084
359 5JWC FAD 4.98084
360 5VN0 FAD 4.98084
361 1N7G NDP 4.98084
362 1NPD NAD 4.98084
363 2IXB A2G 4.98084
364 1N7G GDR 4.98084
365 1D4D FAD 4.98084
366 1C1X NAD 4.98084
367 2B4R NAD 4.98084
368 5TC4 NAD 4.98084
369 2WET FAD 4.98084
370 2B4R AES 4.98084
371 1FP2 SAH 4.98084
372 1BXG NAD 4.98084
373 1VI2 NAD 4.98084
374 1BZL FAD 4.98084
375 2IXB NAD 4.98084
376 4E5N NAD 4.98084
377 1NVM NAD 4.98084
378 3FSY SCA 4.98084
379 5VN0 NAI 4.98084
380 2WPF WPF 4.98084
381 2WPF FAD 4.98084
382 5NC1 NAG 5.06329
383 4GGZ BTN 5.21739
384 4JLS 3ZE 5.26316
385 3LU1 NAD 5.36398
386 2Q1S NAI 5.36398
387 4ZGS NAD 5.36398
388 1I2B UPG 5.36398
389 1I2B NAD 5.36398
390 1I2B USQ 5.36398
391 5JAQ NAI 5.36398
392 2VHW NAI 5.36398
393 3OJO NAD 5.36398
394 1J0X NAD 5.36398
395 3GF4 FAD 5.36398
396 3GF4 UPG 5.36398
397 2Z9I GLY ALA THR VAL 5.36398
398 5ERG SAM 5.36398
399 2IID FAD 5.36398
400 2IID PHE 5.36398
401 4X9M FAD 5.36398
402 5OCM NAP 5.36398
403 2GSD NAD 5.36398
404 1E5Q NDP 5.36398
405 3H5N ATP 5.36398
406 1RJD SAM 5.36398
407 6FP4 E1T 5.36398
408 1VQW FAD 5.36398
409 3FPZ AHZ 5.36398
410 1VBO MAN MAN MAN 5.36913
411 1O5O U5P 5.42986
412 1XHC FAD 5.44959
413 4Z7X 3CX 5.46218
414 4POO SAM 5.5
415 1UXG NAD 5.50162
416 1UXG FUM 5.50162
417 4R1S NAP 5.74713
418 3OIG NAD 5.74713
419 1WVG APR 5.74713
420 5BJX NAD 5.74713
421 5BJX UDP 5.74713
422 5NUF NAD 5.74713
423 3ABI NAD 5.74713
424 1B8U NAD 5.74713
425 5OCQ CIT 5.74713
426 5NUE NAD 5.74713
427 2OOR NAD 5.74713
428 1F8G NAD 5.74713
429 4C4A SAH 5.74713
430 2NPX NAD 5.74713
431 2NPX FAD 5.74713
432 1B8U OAA 5.74713
433 2CVQ NDP 5.74713
434 3NT6 FAD 5.74713
435 3L4S NAD 5.74713
436 3NTA FAD 5.74713
437 4OM8 NAD 5.74713
438 1REO FAD 5.74713
439 1GTE FAD 5.74713
440 3KB6 NAD 5.74713
441 2E5V FAD 5.74713
442 1V8B NAD 5.74713
443 3L4S 3PG 5.74713
444 4M37 SAH 5.74713
445 4M38 SAH 5.74713
446 5JY6 NAD 5.74713
447 3UOY NAP 5.74713
448 3UOY FAD 5.74713
449 3AB1 FAD 5.74713
450 5N6C NAD 5.74713
451 1M0S CIT 5.93607
452 2RI1 GLP 5.95745
453 5WQP NAP 5.98291
454 5WQP NCA 5.98291
455 2X6T NAP 6.13027
456 1EQ2 NAP 6.13027
457 1O6Z NAD 6.13027
458 1KYQ NAD 6.13027
459 3B1F NAD 6.13027
460 2QRK AMP 6.13027
461 5DNK SAH 6.13027
462 1HYE NAP 6.13027
463 2VTD LKM 6.13027
464 2PT9 2MH 6.13027
465 4IV9 FAD 6.13027
466 1RSG FAD 6.13027
467 1YY5 FAD 6.13027
468 2NVK FAD 6.13027
469 3FPF TNA 6.13027
470 4AP3 FAD 6.13027
471 4AP3 NAP 6.13027
472 2I7C AAT 6.13027
473 1WP4 NDP 6.13027
474 3QVP FAD 6.13027
475 5NMX NAP 6.13027
476 5NMX FAD 6.13027
477 2EG5 SAH 6.13027
478 3FPF MTA 6.13027
479 3WLE NAD 6.15836
480 3G4Q MCH 6.16438
481 5L95 AMP 6.25
482 1NVT NAP 6.27178
483 1EYQ NAR 6.30631
484 2Q46 NAP 6.32411
485 1XSE NDP 6.51341
486 4K26 NDP 6.51341
487 6DNT NAD 6.51341
488 4K26 SFF 6.51341
489 5KKA 6V0 6.51341
490 1UDB UFG 6.51341
491 1UDB NAD 6.51341
492 3QV1 NAD 6.51341
493 1H82 GZZ 6.51341
494 1H82 FAD 6.51341
495 2VVM FAD 6.51341
496 5HSA FAS 6.51341
497 5FJN BE2 6.51341
498 5FJN FAD 6.51341
499 2VVL FAD 6.51341
500 5M67 3D1 6.51341
501 5M67 NAD 6.51341
502 5M67 ADE 6.51341
503 2C7G ODP 6.51341
504 2C7G FAD 6.51341
505 5X20 NAD 6.51341
506 5XWV NDP 6.65323
507 5XWV 8H6 6.65323
508 5IN4 6CK 6.89655
509 6BWL NAD 6.89655
510 5IN4 GDP 6.89655
511 5Z75 NAD 6.89655
512 5IN4 NAP 6.89655
513 2C29 NAP 6.89655
514 2C29 DQH 6.89655
515 3WGT FAD 6.89655
516 3WGT QSC 6.89655
517 6AA8 NAD 6.89655
518 4J36 FAD 6.89655
519 4J36 1HR 6.89655
520 5MIT NAP 6.89655
521 5MIT FAD 6.89655
522 5U8U FAD 6.89655
523 1A99 PUT 6.89655
524 1ZK7 FAD 6.89655
525 3E1T FAD 6.89655
526 1H2B NAJ 6.89655
527 4DMG SAM 6.89655
528 3X0V FAD 6.89655
529 4JK3 NAD 6.94981
530 4JNJ BTN 6.95652
531 1HDR NAD 6.96721
532 4D3F NAP 7.27969
533 2ZXI FAD 7.27969
534 3LZW NAP 7.27969
535 3LZW FAD 7.27969
536 2YX1 SFG 7.27969
537 4YUW 4JU 7.27969
538 5JE8 NAD 7.27969
539 1PZG A3D 7.27969
540 4B7X NAP 7.27969
541 5OOH NAP 7.28155
542 5OOH 9ZZ 7.28155
543 1JNR FAD 7.33333
544 3OFK SAH 7.40741
545 4HXY NDP 7.66284
546 3KO8 NAD 7.66284
547 5I7S NAD 7.66284
548 5I7S E9P 7.66284
549 5E9W SAH 7.66284
550 3CIF NAD 7.66284
551 3CIF G3H 7.66284
552 6GAS FAD 7.66284
553 4GUT FAD 7.66284
554 4HSU FAD 7.66284
555 1JQ3 AAT 7.66284
556 5JCA FAD 7.74648
557 5JCA NDP 7.74648
558 2CUL FAD 7.75862
559 5N2I NAP 7.75862
560 4DYG MES 7.78689
561 1NC4 DOF 7.90698
562 5ZEC NAP 8.04598
563 4Q9N NAI 8.04598
564 5DF1 NAP 8.04598
565 5DF1 58X 8.04598
566 1YQZ FAD 8.04598
567 4KOA NDP 8.04598
568 5KVS NAP 8.04598
569 3HDY FAD 8.04598
570 3HDY FDA 8.04598
571 3HDY GDU 8.04598
572 5BRT CH9 8.04598
573 3K7M FAD 8.04598
574 4U8P FDA 8.04598
575 4U8P UDP 8.04598
576 4PIV NDP 8.42912
577 1LTH NAD 8.42912
578 1DSS NAD 8.42912
579 6C4T NA7 8.42912
580 4MIG G3F 8.42912
581 5FA5 MTA 8.42912
582 1LUA NAP 8.42912
583 5J7X FAD 8.42912
584 4GQB 0XU 8.42912
585 2B5W NAP 8.42912
586 5N0J FAD 8.42912
587 1X9I G6Q 8.42912
588 5EZ7 FAD 8.42912
589 3TTN SPD 8.42912
590 5Y8L NAD 8.47458
591 5Y8L HUI 8.47458
592 5T2Y 753 8.58586
593 1BXK NAD 8.81226
594 2PK3 A2R 8.81226
595 3VPH NAD 8.81226
596 5NA1 FAD 8.81226
597 3VPH OXM 8.81226
598 1D1T NAD 8.81226
599 2DT5 NAD 9.00474
600 4YSX FAD 9.04255
601 1KOL NAD 9.04523
602 1VL0 NAI 9.1954
603 2EXX NAP 9.1954
604 1LDN NAD 9.1954
605 1P77 ATR 9.1954
606 1V59 NAD 9.1954
607 2WA2 SAM 9.1954
608 4PLT OXM 9.1954
609 4PLT NAI 9.1954
610 1V59 FAD 9.1954
611 5K0A FAD 9.1954
612 5TOW ADN 9.1954
613 5TOW NAI 9.1954
614 2RAB NAD 9.1954
615 2RAB FAD 9.1954
616 3B6C SDN 9.40171
617 1RM4 NDP 9.57854
618 3AD8 PYC 9.57854
619 3AD8 FAD 9.57854
620 1ZQ9 SAM 9.57854
621 1QO8 FAD 9.57854
622 4II2 ATP 9.63855
623 1ORR NAD 9.96169
624 1CER NAD 9.96169
625 2IZ1 ATR 9.96169
626 3X0D SAH 9.96169
627 1U3U BNF 9.96169
628 1U3U NAD 9.96169
629 5DN9 NAD 9.96169
630 3IHG FAD 9.96169
631 4KP7 NAP 9.96169
632 4KP7 1UQ 9.96169
633 1O8B ABF 10.0457
634 3EGI ADP 10.1942
635 5L4L NAP 10.3448
636 5L4L 7OX 10.3448
637 5I39 FAD 10.3448
638 1Z0N BCD 10.4167
639 6HDT BTN 10.5263
640 4N49 SAM 10.728
641 1LLU NAD 10.728
642 5EES NAP 10.9312
643 2FR1 NDP 11.1111
644 1GY8 NAD 11.1111
645 1P0F NAP 11.1111
646 3UCL NAP 11.1111
647 3UCL CYH 11.1111
648 3UCL FAD 11.1111
649 4YEF 4CQ 11.236
650 2VDV SAM 11.3821
651 5Y1G NAD 11.4943
652 5Y1G AKB 11.4943
653 2Q1W NAD 11.4943
654 2GZ3 NAP 11.4943
655 3GFB NAD 11.4943
656 4JDR FAD 11.4943
657 1E6E FAD 11.7188
658 1SC6 NAD 11.8774
659 4PLG NAI 11.8774
660 4PLG OXM 11.8774
661 4ZCC NAI 11.8774
662 4ZCC FAD 11.8774
663 3A4V PYR 12.2605
664 4U7W NDP 12.2605
665 3A4V NAD 12.2605
666 1GUZ NAD 12.2605
667 1GET NAP 12.2605
668 2JK0 ASP 12.2605
669 3WBF API 12.2605
670 1E7S NAP 12.6437
671 4B4U NAP 12.6437
672 2HYV UAP SGN IDS SGN IDS 12.6437
673 1H9A NAP 12.6437
674 1I36 NAP 12.6437
675 1K3T BRZ 12.6437
676 5EIN NAP 12.963
677 1SB8 NAD 13.0268
678 1SB8 UD2 13.0268
679 5ZYN FAD 13.0268
680 2FZW NAD 13.0268
681 5A1T NAI 13.41
682 4XQC 13D 13.41
683 4XQC NAD 13.41
684 4OHU 2TK 13.41
685 4OHU NAD 13.41
686 5A1T OXM 13.41
687 3GU3 SAH 13.41
688 3G5S FAD 13.7931
689 2NUO BGC 13.9344
690 2HYQ MAN MAN 13.9344
691 2GUD BMA 13.9344
692 2GUD MAN 13.9344
693 2NU5 NAG 13.9344
694 2GUC MAN 13.9344
695 2HYR BGC GLC 13.9344
696 4E13 NAD 14.1762
697 3CGB FAD 14.5594
698 3PT9 SAH 14.5594
699 4RQU NAD 14.5594
700 1LC3 NAD 14.5594
701 2HMT NAI 14.5833
702 2WEL K88 14.6667
703 3CGD COA 14.9425
704 3CGD FAD 14.9425
705 3CGD NAD 14.9425
706 2QA1 FAD 14.9425
707 5L53 NAP 15.7088
708 5O98 NAP 15.7088
709 5L4S NAP 15.7088
710 5L4S 6KX 15.7088
711 5YEC ATP 15.9664
712 3RFV NAI 16.4751
713 3RFV 15L 16.4751
714 5CAE COA 16.4751
715 5CAE SIN 16.4751
716 2YVJ NAI 16.5138
717 3ORF NAD 16.7331
718 4EUE NAI 16.8582
719 4W6Z 8ID 16.8582
720 3O26 NDP 17.2414
721 4ZRN NAD 17.2414
722 4ZRN UPG 17.2414
723 1WMA NDP 17.6245
724 1WMA AB3 17.6245
725 4YRY NAD 17.6245
726 4YRY FAD 17.6245
727 1GPE FAD 17.6245
728 4G5H NAP 18.0077
729 4G5H UD7 18.0077
730 1E3I CXF 18.3908
731 3OJF NDP 18.677
732 3OJF IMJ 18.677
733 1EK6 NAI 19.9234
734 1EK6 UPG 19.9234
735 2GAG FAD 20.202
736 2GAG FOA 20.202
737 2GAG NAD 20.202
738 1Z45 NAD 20.6897
739 3TN7 NJP 21.4559
740 1N5D NDP 21.4559
741 5E8J SAH 25
742 2DFV NAD 27.9693
743 4J7U YTZ 28.8194
744 4J7U NAP 28.8194
745 3RNM FAD 29.3103
746 1Z6Z NAP 29.4326
747 4J1Q NDP 29.8851
748 4Y9D NAI 29.8851
749 1OAA OAA 31.6602
750 1SNY NAP 32.1839
751 3CH6 NAP 32.1839
752 3CH6 311 32.1839
753 5GT9 NAP 33.7165
754 3OID NDP 33.7209
755 3OID TCL 33.7209
756 1BDB NAD 34.0996
757 3ZV6 NAD 34.4828
758 3ZV6 4HB 34.4828
759 3RJ5 NAD 34.6457
760 5GWT NAD 34.8659
761 5GWT SIN 34.8659
762 3WXB NDP 34.8659
763 1LSS NAD 35
764 1XG5 NAP 35.249
765 3HB5 NAP 35.6322
766 3AI3 SOL 35.6322
767 4YAG NAI 36.0153
768 1A27 NAP 36.0153
769 2WYV NAD 36.0153
770 2JAH NDP 36.0324
771 3U4C NDP 36.7816
772 2JAP NDP 36.8421
773 4YAC NAI 37.1647
774 5EJ2 NAD 37.931
775 1W8D NAP 37.931
776 1W73 NAP 37.931
777 1GZ6 NAI 38.3142
778 3RKR NAP 38.3142
779 1ZEM NAD 38.6973
780 1H5Q NAP 38.6973
781 2BGM NAJ 38.8489
782 2BD0 NAP 39.3443
783 4KWI NAP 39.4636
784 4KWI 1TJ 39.4636
785 1W6U NAP 39.8467
786 4QED NAP 39.9194
787 3AY6 NAI 40.2299
788 3AY6 BGC 40.2299
789 2Q2V NAD 40.3922
790 1PR9 NAP 40.9836
791 3D3W NAP 40.9836
792 5EPO NAP 40.9962
793 5EPO TUD 40.9962
794 3AFN NAP 41.0853
795 5G4L NDP 41.3793
796 2RH4 EMO 41.3793
797 1MXH DHF 41.3793
798 1MXH NAP 41.3793
799 4CM9 NAP 42.1456
800 5K6A NAP 42.1456
801 4CLR NAP 42.1456
802 3JQA NAP 42.1456
803 3BMN NAP 42.1456
804 5JCJ NAP 42.1456
805 5JDC NAP 42.1456
806 3JQF NAP 42.1456
807 5JDI NAP 42.1456
808 3BMO NAP 42.1456
809 4CM8 NAP 42.1456
810 2WD7 NAP 42.1456
811 3JQ9 NAP 42.1456
812 4CM4 NAP 42.1456
813 3JQG NAP 42.1456
814 3BMQ NAP 42.1456
815 4CMI NAP 42.1456
816 4CLO NAP 42.1456
817 3JQ8 NAP 42.1456
818 3JQ7 NAP 42.1456
819 4CME NAP 42.1456
820 3JQB NAP 42.1456
821 2VZ0 NAP 42.1456
822 2VZ0 D64 42.1456
823 5JDI 6JO 42.1456
824 4CM9 YGL 42.1456
825 3JQ8 DX3 42.1456
826 3JQB DX6 42.1456
827 5JDC 6JP 42.1456
828 4CME KTZ 42.1456
829 4CM4 4NR 42.1456
830 5JCJ 6JM 42.1456
831 4CMI M4V 42.1456
832 4CM8 IZ9 42.1456
833 5K6A 6QT 42.1456
834 3BMO AX4 42.1456
835 3ICC NAP 42.3529
836 3SJU NDP 42.5287
837 4O0L NDP 42.5287
838 1XKQ NDP 42.5287
839 5THQ NDP 42.6471
840 1X1T NAD 42.6923
841 1O5I NAD 42.9719
842 5B4T NAD 43.0769
843 5B4T 3HR 43.0769
844 4ITU NAI 43.1227
845 4ITU 1HS 43.1227
846 2DKN NAI 43.5294
847 5OVL NAP 43.6782
848 4OSP NAP 43.6782
849 4OSP 2V4 43.6782
850 2ZAT NAP 43.8462
851 5WUW NAP 44.0613
852 1XHL NDP 44.0613
853 3H4V DVP 44.0613
854 3H4V NAP 44.0613
855 2WSB NAD 44.0945
856 5YSS NAD 44.1406
857 5O42 NAD 44.1606
858 5O42 9JW 44.1606
859 5O42 BGC 44.1606
860 6CI9 NAP 44.4015
861 1JA9 NDP 44.5255
862 1JA9 PYQ 44.5255
863 5OVK NDP 44.5312
864 2AG5 NAD 44.7154
865 5Z2L NDP 44.898
866 1FK8 NAD 45.1362
867 4FC7 COA 45.5939
868 4FC7 NAP 45.5939
869 1YXM ADE 45.5939
870 1G0N NDP 45.5939
871 1G0N PHH 45.5939
872 3GEG NAD 45.749
873 2GDZ NAD 45.977
874 4RF2 NAP 45.977
875 3O03 NAP 46.3602
876 2B4Q NAP 46.3602
877 5FEU NAP 46.3602
878 3V1U NAD 46.7433
879 3QWI NAP 46.7433
880 3QWI CUE 46.7433
881 2EWM NAD 46.988
882 5FFF 5XC 47.0817
883 5FFF NAP 47.0817
884 2AE2 NAP 47.3077
885 2AE2 PTO 47.3077
886 2DTX BMA 47.5096
887 3NUG NAD 47.7733
888 1AE1 NAP 47.8927
889 1GEG NAD 48.0469
890 4JP3 CIT 48.1172
891 4ZA2 NAD 48.2213
892 1IY8 NAD 48.2759
893 1UZN NAP 48.583
894 6F9Q NAD 48.659
895 1EDO NAP 48.7705
896 5T2U NAP 48.7903
897 3VZS NAP 49.0272
898 3VZS CAA 49.0272
899 1NFQ NAI 49.2308
900 5OJI NAP 49.2308
901 5OJI ISN 49.2308
902 1ZK4 AC0 49.4024
903 1ZK4 NAP 49.4024
904 1GEE NAD 49.4253
905 4NBW NAD 49.8054
906 3A28 NAD 50
907 4URF NAD 50
Pocket No.: 2; Query (leader) PDB : 1U7T; Ligand: TDT; Similar sites found with APoc: 887
This union binding pocket(no: 2) in the query (biounit: 1u7t.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 4OBW SAM None
2 1U9L ASN ARG PRO ILE LEU SER LEU None
3 1H8P PC None
4 1DTL BEP None
5 4MN3 ACE PHE ALA TYR M3L SER NH2 None
6 2DC1 NAD 0.847458
7 1D4O NAP 1.08696
8 4UCI SAM 1.14943
9 1NYT NAP 1.14943
10 1VJ7 GPX 1.14943
11 1KYZ SAH 1.53257
12 3A27 SAM 1.53257
13 5X9D 80F 1.53257
14 1KYZ FER 1.53257
15 5KVA SAM 1.53257
16 3C3Y SAH 1.68776
17 1P19 IMP 1.80995
18 4NYT PC 1.84332
19 5K4W NAI 1.91571
20 5K4W THR 1.91571
21 3O7W SAM 1.91571
22 6CEP NAD 1.91571
23 5BW4 SAM 1.91571
24 3SSO SAH 1.91571
25 6CEP OXM 1.91571
26 2A92 NAI 1.91571
27 1YS4 NAP 1.91571
28 6FDF SAH 1.91571
29 5GM1 SAH 1.91571
30 5Z2F NAP 1.91571
31 1U8X NAD 1.91571
32 5T9F TYR 1.91571
33 1U2Z SAH 1.91571
34 5UAO FAD 1.91571
35 2PX8 SAH 1.91571
36 5T9F NAP 1.91571
37 1KEV NDP 1.91571
38 3LCV SAM 1.91571
39 6C4M NAP 1.91571
40 4ONQ SFG 1.91571
41 2XVM SAH 2.01005
42 5O96 SAM 2.04082
43 4YMH SAH 2.08333
44 1TE2 PGA 2.21239
45 3MQ2 SAH 2.29358
46 1RKX NAD 2.29885
47 1RPN NDP 2.29885
48 1V6A TRE 2.29885
49 1GV0 NAD 2.29885
50 1R6D NAD 2.29885
51 1R6D DAU 2.29885
52 5ZI2 NAD 2.29885
53 5ZI2 ADP 2.29885
54 5XNC MTA 2.29885
55 3OA2 NAD 2.29885
56 2P41 SAH 2.29885
57 4ZVV NAD 2.29885
58 3TLJ SAH 2.29885
59 4L8V NAP 2.29885
60 1J49 NAD