Receptor
PDB id Resolution Class Description Source Keywords
5JDC 1.78 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR NP-13 (HES TRYPANOSOMA BRUCEI BRUCEI TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE OXYDOREDUCTASE INHOXIDOREDUCTASE
Ref.: PROFILING OF FLAVONOL DERIVATIVES FOR THE DEVELOPME ANTITRYPANOSOMATIDIC DRUGS. J.MED.CHEM. V. 59 7598 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL C:304;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
6JP C:302;
D:302;
A:302;
B:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 ~ 120 uM
302.279 C16 H14 O6 COc1c...
NAP A:301;
D:301;
C:301;
B:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
ACT A:303;
C:303;
Invalid;
Invalid;
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
5JDC 1.78 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR NP-13 (HES TRYPANOSOMA BRUCEI BRUCEI TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE OXYDOREDUCTASE INHOXIDOREDUCTASE
Ref.: PROFILING OF FLAVONOL DERIVATIVES FOR THE DEVELOPME ANTITRYPANOSOMATIDIC DRUGS. J.MED.CHEM. V. 59 7598 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5JDC ic50 ~ 120 uM 6JP C16 H14 O6 COc1ccc(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 5JDC ic50 ~ 120 uM 6JP C16 H14 O6 COc1ccc(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 5JDC ic50 ~ 120 uM 6JP C16 H14 O6 COc1ccc(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6JP; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 6JP 1 1
2 NAR 0.609375 0.848485
3 SAK 0.479452 0.909091
Ligand no: 2; Ligand: NAP; Similar ligands found: 127
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 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JDC; Ligand: NAP; Similar sites found: 359
This union binding pocket(no: 1) in the query (biounit: 5jdc.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BWL MN9 0.006316 0.4489 1.04167
2 2WPB ZZI 0.01754 0.42191 1.04167
3 3GU3 SAH 0.02898 0.40243 1.05634
4 5E8J SAH 0.01224 0.41365 1.38889
5 3HAD NAD 0.01008 0.40242 1.73611
6 1YJQ NAP 0.004671 0.40111 1.73611
7 2G5C NAD 0.001129 0.4153 1.77936
8 5JE8 NAD 0.000916 0.43217 2.08333
9 1KYZ SAH 0.003605 0.43117 2.08333
10 3E1T FAD 0.001646 0.42997 2.08333
11 3WQQ IB3 0.001604 0.42839 2.08333
12 3WQQ NDP 0.001604 0.42839 2.08333
13 3I6I NDP 0.001332 0.42835 2.08333
14 1HYH NAD 0.0004123 0.42677 2.08333
15 2O4C NAD 0.0009143 0.42587 2.08333
16 3CMC NAD 0.006791 0.42019 2.08333
17 4KP7 NAP 0.004364 0.41649 2.08333
18 4KP7 1UQ 0.003972 0.41455 2.08333
19 2CDU FAD 0.002822 0.41319 2.08333
20 3B1F NAD 0.00962 0.40245 2.08333
21 3WLE NAD 0.005375 0.40218 2.08333
22 3A4T SFG 0.006405 0.40666 2.18978
23 2YY7 NAD 0.000001761 0.53026 2.43056
24 1U1I NAD 0.0005407 0.43881 2.43056
25 4RF7 ARG 0.01605 0.42521 2.43056
26 2Q7V FAD 0.002694 0.41937 2.43056
27 1O6Z NAD 0.0007601 0.41222 2.43056
28 5EZ7 FAD 0.003792 0.41139 2.43056
29 1PN0 FAD 0.008714 0.40421 2.43056
30 1PN0 IPH 0.009121 0.40421 2.43056
31 1GQ2 NAP 0.003225 0.4021 2.43056
32 4DPL NAP 0.002677 0.40133 2.43056
33 2F1K NAP 0.0003816 0.43044 2.50896
34 2EV9 SKM 0.004489 0.40055 2.6616
35 2EV9 NAP 0.004489 0.40055 2.6616
36 1KEW TYD 0.00001138 0.52417 2.77778
37 1KEW NAD 0.00001217 0.52409 2.77778
38 1UWK NAD 0.001221 0.43718 2.77778
39 1UWK URO 0.001221 0.43718 2.77778
40 4OPC PGT 0.008801 0.43142 2.77778
41 4OPC FDA 0.007539 0.43142 2.77778
42 2DFV NAD 0.0006037 0.42653 2.77778
43 5H81 NAP 0.00234 0.42523 2.77778
44 1X87 NAD 0.002591 0.42013 2.77778
45 3L9W AMP 0.0007357 0.41932 2.77778
46 1F8G NAD 0.004504 0.41316 2.77778
47 1OMO NAD 0.003264 0.41293 2.77778
48 1LLU NAD 0.002622 0.41208 2.77778
49 3L9W GSH 0.002444 0.40669 2.77778
50 4TQG NDP 0.00000004958 0.58536 2.78638
51 2DC1 NAD 0.0006487 0.43171 2.9661
52 4GLL NAD 0.0000001674 0.57159 3.125
53 3A4V NAD 0.0000009389 0.49246 3.125
54 3A4V PYR 0.0000009389 0.49246 3.125
55 2VHW NAI 0.0008815 0.43306 3.125
56 1MV8 NAD 0.001714 0.41825 3.125
57 4DFU QUE 0.03187 0.40405 3.125
58 1I2B NAD 0.004789 0.44813 3.21782
59 1I2B USQ 0.004789 0.44813 3.21782
60 1I2B UPG 0.004789 0.44813 3.21782
61 4NYT PC 0.004313 0.41268 3.22581
62 1SW1 PBE 0.02884 0.41112 3.27273
63 4CNK FAD 0.001493 0.42638 3.32481
64 1CER NAD 0.000723 0.43303 3.47222
65 5BUK FAD 0.001543 0.4321 3.47222
66 1E1M FAD 0.003654 0.42377 3.47222
67 1E1M NAP 0.003654 0.42377 3.47222
68 4RQU NAD 0.0008899 0.42341 3.47222
69 1PL6 572 0.001262 0.42185 3.47222
70 1PL6 NAD 0.0002154 0.41853 3.47222
71 1RSG FAD 0.008078 0.40118 3.47222
72 2E5V FAD 0.009803 0.40044 3.47222
73 4Z4P SAH 0.01321 0.40853 3.61446
74 3EVG SAH 0.003237 0.42955 3.63636
75 1BXK NAD 0.0000008234 0.5389 3.81944
76 5LD5 NAD 0.001316 0.43238 3.81944
77 1NVM NAD 0.001694 0.41557 3.81944
78 1R6D NAD 0.02626 0.41365 3.81944
79 1V59 FAD 0.004886 0.41274 3.81944
80 4MIG G3F 0.006034 0.41157 3.81944
81 1R6D DAU 0.02816 0.41155 3.81944
82 2HQM FAD 0.006733 0.40437 3.81944
83 1E6E FAD 0.00196 0.41942 3.90625
84 1P77 ATR 0.007262 0.44225 4.04412
85 2FR1 NDP 0.000000214 0.5396 4.16667
86 5MSO NAP 0.0000004816 0.53771 4.16667
87 3VPH NAD 0.0001235 0.46234 4.16667
88 3VPH OXM 0.0002737 0.45169 4.16667
89 5KKA 6V0 0.0002945 0.44627 4.16667
90 3KB6 NAD 0.0007066 0.43027 4.16667
91 3SQP FAD 0.0422 0.41326 4.16667
92 1ZMD FAD 0.004897 0.41088 4.16667
93 1SC6 NAD 0.002779 0.4086 4.16667
94 1GET NAP 0.01358 0.40854 4.16667
95 4PIV NDP 0.0000001144 0.5759 4.39394
96 1WDK NAD 0.0007214 0.44324 4.51389
97 3ABI NAD 0.0003158 0.44211 4.51389
98 2GZ3 NAP 0.001484 0.43653 4.51389
99 2C5A NAD 0.0000003622 0.43311 4.51389
100 2C5A GDC 0.0000003622 0.43311 4.51389
101 4L8V NAP 0.001025 0.42253 4.51389
102 3NKS FAD 0.002104 0.41936 4.51389
103 2BRY FAD 0.001609 0.41909 4.51389
104 4TXI FAD 0.001651 0.41735 4.51389
105 4RSL FAD 0.002753 0.41362 4.51389
106 3X01 AMP 0.02865 0.41252 4.51389
107 1MO9 FAD 0.01547 0.41098 4.51389
108 1MO9 KPC 0.02407 0.40307 4.51389
109 1JNR FAD 0.01372 0.41115 4.66667
110 4PVD NDP 0.0000001746 0.55336 4.86111
111 3V1Y NAD 0.0003489 0.44551 4.86111
112 1J0X NAD 0.0008346 0.44186 4.86111
113 3NJ4 AFX 0.01076 0.43062 4.86111
114 3NJ4 NAD 0.01084 0.43048 4.86111
115 1MUU NAD 0.004369 0.40493 4.86111
116 3RFV NAI 0.00311 0.43047 4.86891
117 3RFV 15L 0.00701 0.41425 4.86891
118 2JHF NAD 0.0344 0.4115 5.08021
119 1U8X NAD 0.0009928 0.4276 5.08475
120 1GUZ NAD 0.0002919 0.44184 5.20833
121 2B4R NAD 0.0006035 0.43281 5.20833
122 2B4R AES 0.001632 0.41481 5.20833
123 5JJR SAH 0.008048 0.41172 5.20833
124 1YQZ FAD 0.009439 0.41023 5.20833
125 4BG4 ARG 0.03124 0.40832 5.20833
126 3LAD FAD 0.007236 0.40311 5.20833
127 5JCA FAD 0.007692 0.40204 5.20833
128 5JCA NDP 0.01746 0.40026 5.20833
129 5IN4 6CK 0.00008977 0.53804 5.21978
130 5IN4 NAP 0.00009145 0.53804 5.21978
131 5IN4 GDP 0.0001008 0.53493 5.21978
132 5L95 AMP 0.0006821 0.4007 5.37634
133 2DBZ NAP 0.0007892 0.42539 5.38922
134 5JAQ NAI 0.0003138 0.45441 5.55556
135 1L7E NAI 0.003429 0.41205 5.55556
136 3G5S FAD 0.00349 0.41068 5.55556
137 1C1X NAD 0.001465 0.40811 5.55556
138 2I3G NAP 0.001462 0.40757 5.55556
139 5U8U FAD 0.01349 0.40688 5.55556
140 1X7D ORN 0.00449 0.40636 5.55556
141 1X7D NAD 0.002543 0.40603 5.55556
142 2IID FAD 0.0102 0.40601 5.55556
143 2IID PHE 0.0102 0.40601 5.55556
144 3WGT QSC 0.01139 0.40024 5.55556
145 3WGT FAD 0.01089 0.40024 5.55556
146 4CJX NAP 0.002824 0.41254 5.64263
147 1LSS NAD 0.0007521 0.44995 5.71429
148 4HXY NDP 0.00000006598 0.56481 5.90278
149 1RKX NAD 0.0000003324 0.5581 5.90278
150 2C29 NAP 0.0000002799 0.47132 5.90278
151 2C29 DQH 0.0000008625 0.45768 5.90278
152 2CVQ NDP 0.0004461 0.43483 5.90278
153 1YKJ FAD 0.003308 0.43147 5.90278
154 1YKJ PHB 0.003308 0.43147 5.90278
155 4JDR FAD 0.002223 0.42272 5.90278
156 2QRK AMP 0.003111 0.41374 5.90278
157 1WP4 NDP 0.001716 0.40928 5.90278
158 1V8B NAD 0.004311 0.40595 5.90278
159 3LU1 NAD 0.0000001599 0.55787 6.25
160 1PZG A3D 0.0003366 0.45076 6.25
161 1SB8 UD2 0.005964 0.44226 6.25
162 3OJO NAD 0.001087 0.43583 6.25
163 1SB8 NAD 0.00826 0.43266 6.25
164 1X14 NAD 0.003935 0.42942 6.25
165 3OND NAD 0.005182 0.41344 6.25
166 3OND ADN 0.005182 0.41344 6.25
167 5G3U FDA 0.005014 0.40553 6.25
168 4IV9 FAD 0.006217 0.40384 6.25
169 1D4D FAD 0.008412 0.40138 6.25
170 5CAE COA 0.002632 0.41675 6.38978
171 3AB1 FAD 0.001174 0.43275 6.59722
172 1E5Q NDP 0.0006938 0.42752 6.59722
173 1EZ4 NAD 0.0006268 0.42191 6.59722
174 1DJN ADP 0.005187 0.40757 6.59722
175 1OC2 NAD 0.000005498 0.40624 6.59722
176 1OC2 TDX 0.000005498 0.40624 6.59722
177 1JQ3 AAT 0.004131 0.40318 6.59722
178 4RDH AMP 0.01909 0.40096 6.59722
179 2AJH MET 0.02964 0.40746 6.63265
180 5T9F TYR 0.001215 0.42877 6.64207
181 5T9F NAP 0.001661 0.42225 6.64207
182 3HVJ 705 0.003328 0.41149 6.78733
183 1KYQ NAD 0.003622 0.43107 6.93431
184 4ZRN NAD 0.00000004278 0.54767 6.94444
185 1RPN NDP 0.000001597 0.48531 6.94444
186 4ZRN UPG 0.000000479 0.44416 6.94444
187 2A92 NAI 0.0004252 0.44011 6.94444
188 5M67 3D1 0.005426 0.41346 6.94444
189 5M67 NAD 0.00545 0.41338 6.94444
190 5M67 ADE 0.005508 0.4132 6.94444
191 3TWO NDP 0.003698 0.40744 6.94444
192 2FZW NAD 0.008144 0.40195 6.94444
193 2DT5 NAD 0.0003574 0.43849 7.109
194 1LDN NAD 0.0003021 0.44437 7.29167
195 2JB2 PHE 0.005579 0.40572 7.29167
196 2JB2 FAD 0.005264 0.40572 7.29167
197 3S5W FAD 0.00416 0.40055 7.29167
198 4J4H NAI 0.002948 0.42256 7.33591
199 4J4H 1J1 0.002948 0.42256 7.33591
200 4JK3 NAD 0.0008097 0.41867 7.33591
201 1TZD ADP 0.007242 0.45079 7.63636
202 4J1Q NDP 0.0000001816 0.55896 7.63889
203 4EUE NAI 0.0000252 0.46637 7.63889
204 1EBF NAD 0.001049 0.41028 7.63889
205 1S9D GDP 0.02528 0.40183 7.92683
206 3MJE NDP 0.00000002481 0.59915 7.98611
207 4U7W NDP 0.00000001736 0.5967 7.98611
208 5MZI FAD 0.003204 0.42993 7.98611
209 5MZI FYK 0.003333 0.42993 7.98611
210 5KMS NAD 0.0125 0.40443 7.98611
211 2D2I NAP 0.004391 0.41059 8.1579
212 4XUC SAM 0.002518 0.41277 8.25688
213 4XUC 43G 0.002518 0.41277 8.25688
214 3KLJ FAD 0.001498 0.42029 8.31169
215 1GY8 NAD 0.0000003876 0.55553 8.33333
216 1EQ2 NAP 0.0000007745 0.53205 8.33333
217 1Z45 NAD 0.001057 0.4531 8.33333
218 1CF2 NAP 0.002303 0.40224 8.33333
219 2PV7 NAD 0.0009953 0.42451 8.68056
220 2UYQ SAM 0.01189 0.43447 9.02778
221 1EK6 NAI 0.000001914 0.41468 9.02778
222 3OA2 NAD 0.001701 0.41269 9.02778
223 1EK6 UPG 0.000002166 0.40745 9.02778
224 5JY6 NAD 0.008759 0.40573 9.02778
225 5MDH NAD 0.0001161 0.46065 9.375
226 4MDH NAD 0.0003408 0.4357 9.375
227 4GKV NAD 0.0006068 0.4082 9.375
228 3H8V ATP 0.0005309 0.40102 9.375
229 3CIF NAD 0.0003094 0.44088 9.72222
230 3CIF G3H 0.002172 0.41649 9.72222
231 3ORF NAD 0.0000008734 0.53793 9.96016
232 1ORR NAD 0.00000009204 0.58367 10.0694
233 2VUT NAD 0.003728 0.41988 10.0694
234 3AD8 NAD 0.004338 0.40355 10.3448
235 4YSX FAD 0.006978 0.40183 10.8974
236 3GFB NAD 0.0005674 0.43396 11.1111
237 5UAV NDP 0.002532 0.41504 11.1111
238 5UAV TFB 0.002532 0.41504 11.1111
239 2R4J FAD 0.009725 0.4054 11.1111
240 2R4J 13P 0.009725 0.4054 11.1111
241 1Y1P NMN AMP PO4 0.000003299 0.54057 11.8056
242 2PZM NAD 0.000009663 0.51985 11.8056
243 2PZM UDP 0.000009663 0.51985 11.8056
244 3A06 FOM 0.001261 0.42695 11.8056
245 3A06 NDP 0.001174 0.42569 11.8056
246 2EXX NAP 0.0003127 0.41922 12.1528
247 3AYI HCI 0.007462 0.41092 12.1528
248 3AYI FAD 0.007152 0.41092 12.1528
249 2Q1W NAD 0.0000009236 0.51148 12.5
250 3R75 PYR 0.02892 0.41508 12.8472
251 4EIP FAD 0.007385 0.40631 12.8472
252 4EIP K2C 0.007385 0.40631 12.8472
253 3LKZ SFG 0.009324 0.40566 12.8472
254 2QV7 ADP 0.01861 0.40148 12.8472
255 2X6T NAP 0.0000003174 0.5568 13.1944
256 2HK9 ATR 0.004964 0.44118 13.1944
257 5DN9 NAD 0.0007274 0.43247 13.1944
258 2HK9 NAP 0.004703 0.40364 13.1944
259 2Y6Q I7T 0.002089 0.42865 13.5417
260 2Y6Q FAD 0.0008418 0.42865 13.5417
261 2NAD NAD 0.002147 0.41668 13.5417
262 1E7S NAP 0.01141 0.41178 13.5417
263 1WMA AB3 0.000001921 0.44967 13.8889
264 1WMA NDP 0.000001921 0.44967 13.8889
265 2VYN NAD 0.002182 0.40857 13.8889
266 3O26 NDP 0.00000007009 0.58189 14.9306
267 2OOR NAD 0.005472 0.40957 14.9425
268 3CH6 NAP 0.00000002195 0.64858 15.035
269 3CH6 311 0.00000002195 0.64858 15.035
270 4K26 NDP 0.000000004056 0.60776 15.2174
271 4K26 SFF 0.00000001471 0.52988 15.2174
272 5L4S 6KX 0.0000003417 0.56879 15.2778
273 5L4S NAP 0.0000003417 0.56879 15.2778
274 5L53 NAP 0.0000002748 0.52469 15.2778
275 3QV1 NAD 0.0008155 0.41466 15.8537
276 4O1M NAD 0.000005779 0.50858 17.0139
277 2F5Z FAD 0.007159 0.40422 17.1875
278 1GZ6 NAI 0.0000001083 0.55637 17.7083
279 2FKA BEF 0.03518 0.40952 17.8295
280 4J36 FAD 0.001406 0.42136 18.75
281 4J36 1HR 0.002924 0.41991 18.75
282 1HDO NAP 0.00001899 0.45985 19.4175
283 3GGO ENO 0.0007652 0.44126 19.4444
284 3GGO NAI 0.0007652 0.44126 19.4444
285 1FK8 NAD 0.0000000009494 0.63036 19.4553
286 2DKN NAI 0.0000000002308 0.67414 20.7843
287 1XSE NDP 0.0000000007846 0.67893 21.6949
288 2Q46 NAP 0.0000000658 0.58068 25.6917
289 1N5D NDP 0.0000003148 0.559 27.7778
290 4Q9N NAI 0.000001758 0.53029 28.1879
291 1ZBQ NAD 0.000000025 0.57099 29.5139
292 4J7U YTZ 0.0000004524 0.57192 29.8611
293 4J7U NAP 0.0000004524 0.57192 29.8611
294 3RJ5 NAD 0.000000305 0.49855 31.4961
295 2BD0 NAP 0.000000002487 0.64219 31.9672
296 1OAA OAA 0.002674 0.45094 32.0463
297 2GDZ NAD 0.0004191 0.47008 35.9551
298 1Z6Z NAP 0.0000003576 0.55481 36.5248
299 1W73 NAP 0.000000001553 0.67114 37.7483
300 1W8D NAP 0.0000000009625 0.62293 37.7483
301 4FC7 COA 0.000000053 0.6093 38.6282
302 4FC7 NAP 0.000000053 0.6093 38.6282
303 4D42 W0I 0.0000005154 0.57929 39.0071
304 4D42 NAP 0.0000005154 0.57929 39.0071
305 1W6U NAP 0.000000001481 0.67199 39.0728
306 2PD4 DCN 0.000003817 0.52428 39.6364
307 2PD4 NAD 0.000004276 0.52235 39.6364
308 3V1U NAD 0.001237 0.44408 39.9306
309 3OIG NAD 0.03971 0.40858 40.2256
310 3WXB NDP 0.00000006586 0.5637 41.9355
311 1U7T NAD 0.000000009114 0.61962 42.1456
312 1E3W NAD 0.000000006028 0.61066 42.1456
313 1U7T TDT 0.0000000048 0.53219 42.1456
314 1E6W NAD 0.000000003938 0.61751 42.6923
315 1QG6 NAD 0.000002514 0.5434 42.9119
316 1QG6 TCL 0.000002514 0.5434 42.9119
317 5CG1 NAD BBN 0.000003217 0.55749 43.4028
318 4OHU NAD 0.000004105 0.4061 43.4028
319 4OHU 2TK 0.000004105 0.4061 43.4028
320 1NFQ NAI 0.000000001568 0.64993 43.4615
321 2Q2V NAD 0.0001355 0.49542 43.5294
322 2WYV NAD 0.000008109 0.49538 43.6782
323 3OJF NDP 0.000001749 0.53754 43.9689
324 3OJF IMJ 0.000003129 0.53681 43.9689
325 1YXM ADE 0.0001222 0.53655 44.0972
326 1G0N PHH 0.00002626 0.53733 44.1696
327 1G0N NDP 0.00002533 0.534 44.1696
328 1X1T NAD 0.0009311 0.49089 44.2308
329 5ITV NAI 0.0000000003376 0.67315 44.3137
330 3ICC NAP 0.00003383 0.5196 44.3137
331 3VZS NAP 0.0000000168 0.5032 44.358
332 3VZS CAA 0.00000006616 0.42273 44.358
333 3QWI NAP 0.00000000008359 0.6991 44.4444
334 3QWI CUE 0.0000000002747 0.6991 44.4444
335 1AE1 NAP 0.0000000009118 0.6614 45.0549
336 2ZAT NAP 0.00000004951 0.57679 45.3846
337 4ZA2 NAD 0.000000004582 0.62473 45.4545
338 2DTX BMA 0.0009698 0.46616 45.8333
339 3AFN NAP 0.0000000004761 0.67235 46.124
340 1ZEM NAD 0.00000000223 0.65018 46.1832
341 2CFC NAD 0.000000001443 0.64383 46.4
342 3NUG NAD 0.0000000008074 0.6586 46.5587
343 1VL8 NAP 0.000000002154 0.60104 46.8165
344 3O03 NAP 0.001364 0.44393 46.875
345 3AY6 NAI 0.000000005132 0.55668 47.2119
346 3AY6 BGC 0.00000002121 0.47483 47.2119
347 1O5I NAD 0.000007334 0.54254 47.3896
348 1H5Q NAP 0.0000000001304 0.66144 47.5472
349 2WSB NAD 0.00000001233 0.63124 47.6378
350 2AE2 NAP 0.0000000008346 0.67786 47.6923
351 2AE2 PTO 0.0000000008346 0.67786 47.6923
352 1XKQ NDP 0.00000000197 0.60133 47.8571
353 2B4Q NAP 0.008215 0.41541 48.1884
354 3D3W NAP 0.000000003328 0.63959 48.3607
355 1PR9 NAP 0.0006022 0.4677 48.3607
356 4QED NAP 0.00000000823 0.61748 48.7903
357 3OID NDP 0.00000000005092 0.71001 48.8372
358 4NBT NAD 0.000000002708 0.63343 49.1667
359 1GEE NAD 0.000000003804 0.61778 49.4253
Pocket No.: 2; Query (leader) PDB : 5JDC; Ligand: 6JP; Similar sites found: 13
This union binding pocket(no: 2) in the query (biounit: 5jdc.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4TQG NDP 0.02863 0.40649 2.78638
2 1JG3 ADN 0.03771 0.40023 2.97872
3 5LW0 AR6 0.02787 0.40186 3.4632
4 4J5R A1R 0.02239 0.40528 4.10959
5 4PIV 2W4 0.01803 0.40166 4.39394
6 1QX4 FAD 0.0415 0.40353 5.83942
7 3OFM 4B0 0.01414 0.40066 6.25
8 3CH6 NAP 0.03777 0.41991 15.035
9 3CH6 311 0.03777 0.41991 15.035
10 1XSE NDP 0.01331 0.43581 21.6949
11 2WSB NAD 0.03455 0.41349 47.6378
12 2AE2 NAP 0.02499 0.4211 47.6923
13 2AE2 PTO 0.02499 0.4211 47.6923
Pocket No.: 3; Query (leader) PDB : 5JDC; Ligand: 6JP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5jdc.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5JDC; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5jdc.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5JDC; Ligand: 6JP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5jdc.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5JDC; Ligand: 6JP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5jdc.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5JDC; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 5jdc.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5JDC; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5jdc.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback