Receptor
PDB id Resolution Class Description Source Keywords
3JQ7 1.8 Å EC: 1.5.1.33 CRYSTAL STRUCTURE OF PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPA BRUCEI IN TERNARY COMPLEX WITH COFACTOR (NADP+) AND INHIBITP HENYLPTERIDINE-2,4,7-TRIAMINE (DX2) TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE PTR1 TRYPANOSOMA BRUCEI SHORT CHAIN DEHYDROGENASE INHIBITOR OXIDOREDUCTASE
Ref.: STRUCTURE-BASED DESIGN OF PTERIDINE REDUCTASE INHIB TARGETING AFRICAN SLEEPING SICKNESS AND THE LEISHMA J.MED.CHEM. V. 53 221 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:270;
B:270;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
DTT B:272;
Invalid;
none;
submit data
154.251 C4 H10 O2 S2 C([C@...
DX2 A:271;
B:271;
C:270;
D:270;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 1.2 uM
253.263 C12 H11 N7 c1ccc...
NAP A:269;
B:269;
C:269;
D:269;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
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
3JQ7 1.8 Å EC: 1.5.1.33 CRYSTAL STRUCTURE OF PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPA BRUCEI IN TERNARY COMPLEX WITH COFACTOR (NADP+) AND INHIBITP HENYLPTERIDINE-2,4,7-TRIAMINE (DX2) TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE PTR1 TRYPANOSOMA BRUCEI SHORT CHAIN DEHYDROGENASE INHIBITOR OXIDOREDUCTASE
Ref.: STRUCTURE-BASED DESIGN OF PTERIDINE REDUCTASE INHIB TARGETING AFRICAN SLEEPING SICKNESS AND THE LEISHMA J.MED.CHEM. V. 53 221 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3JQ7 Ki = 1.2 uM DX2 C12 H11 N7 c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3JQ7 Ki = 1.2 uM DX2 C12 H11 N7 c1ccc(cc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3JQ7 Ki = 1.2 uM DX2 C12 H11 N7 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DX2; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 DX2 1 1
2 AUE 0.6 0.897436
3 AUG 0.589286 0.897436
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 : 3JQ7; Ligand: NAP; Similar sites found: 294
This union binding pocket(no: 1) in the query (biounit: 3jq7.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5E8J SAH 0.01169 0.4133 1.38889
2 2G5C NAD 0.003514 0.40464 1.77936
3 5F5N NAD 0.000158 0.4503 2.08333
4 3WQQ IB3 0.001912 0.4281 2.08333
5 3WQQ NDP 0.001912 0.4281 2.08333
6 4KP7 NAP 0.005753 0.41404 2.08333
7 4KP7 1UQ 0.005426 0.41155 2.08333
8 3E1T FAD 0.005856 0.41019 2.08333
9 2O4C NAD 0.003311 0.40698 2.08333
10 1HYH NAD 0.001193 0.40694 2.08333
11 3I6I NDP 0.005867 0.40526 2.08333
12 1JQ3 AAT 0.004708 0.40348 2.08333
13 5UAV TFB 0.006688 0.40085 2.08333
14 5UAV NDP 0.006688 0.40085 2.08333
15 5T9F TYR 0.004108 0.41043 2.21402
16 5T9F NAP 0.004911 0.40622 2.21402
17 5T9E NAP 0.00304 0.40132 2.21402
18 2YY7 NAD 0.000003817 0.52188 2.43056
19 1U1I NAD 0.0006606 0.43849 2.43056
20 2Q7V FAD 0.008128 0.40249 2.43056
21 2F1K NAP 0.001585 0.41213 2.50896
22 1KEW NAD 0.00001835 0.52084 2.77778
23 1KEW TYD 0.00001845 0.51965 2.77778
24 5MDH NAD 0.0001138 0.45928 2.77778
25 4MDH NAD 0.0003492 0.44051 2.77778
26 1UWK NAD 0.004286 0.41759 2.77778
27 1UWK URO 0.004286 0.41759 2.77778
28 3L9W AMP 0.002424 0.41228 2.77778
29 3L9W GSH 0.002309 0.41034 2.77778
30 4OPC FDA 0.02666 0.40893 2.77778
31 4OPC PGT 0.03063 0.40893 2.77778
32 1UP7 NAD 0.001807 0.40662 2.77778
33 1F8G NAD 0.005961 0.40661 2.77778
34 2DFV NAD 0.003207 0.40338 2.77778
35 1LLU NAD 0.005113 0.40325 2.77778
36 4TQG NDP 0.00000009361 0.58044 2.78638
37 2DC1 NAD 0.001546 0.41561 2.9661
38 4GLL NAD 0.0000002617 0.5694 3.125
39 3A4V NAD 0.000001325 0.48251 3.125
40 3A4V PYR 0.000001325 0.48251 3.125
41 2VHW NAI 0.002451 0.4183 3.125
42 4DFU QUE 0.02492 0.40839 3.125
43 4E5N NAD 0.004347 0.40362 3.125
44 1I2B UPG 0.01121 0.43354 3.21782
45 1I2B NAD 0.01121 0.43354 3.21782
46 1I2B USQ 0.01121 0.43354 3.21782
47 4CNK FAD 0.005668 0.40587 3.32481
48 5BUK FAD 0.005986 0.41071 3.47222
49 5BVA FAD 0.008718 0.40398 3.47222
50 1E1M FAD 0.01294 0.4032 3.47222
51 1E1M NAP 0.01294 0.4032 3.47222
52 1CER NAD 0.003957 0.40251 3.47222
53 1PL6 572 0.005206 0.40054 3.47222
54 1F5V FMN 0.0127 0.40146 3.75
55 1BXK NAD 0.000001279 0.53647 3.81944
56 1NVM NAD 0.001519 0.42022 3.81944
57 4AP3 FAD 0.0108 0.4107 3.81944
58 4AP3 NAP 0.0108 0.4107 3.81944
59 5LD5 NAD 0.001827 0.40065 3.81944
60 4NZ6 DGL 0.0433 0.40047 3.81944
61 1P77 ATR 0.01255 0.42834 4.04412
62 1N7G NDP 0.00001517 0.53942 4.16667
63 1N7G GDR 0.00001732 0.52605 4.16667
64 5MSO NAP 0.000001883 0.52286 4.16667
65 2FR1 NDP 0.0000006155 0.51883 4.16667
66 3VPH NAD 0.0003861 0.44636 4.16667
67 3VPH OXM 0.0006636 0.43971 4.16667
68 5KKA 6V0 0.0008143 0.43222 4.16667
69 1SC6 NAD 0.004195 0.40423 4.16667
70 4PIV NDP 0.000000235 0.56921 4.39394
71 3ABI NAD 0.0008932 0.42781 4.51389
72 2GZ3 NAP 0.003236 0.42528 4.51389
73 2C5A GDC 0.000000746 0.42233 4.51389
74 2C5A NAD 0.000000746 0.42233 4.51389
75 4L8V NAP 0.002306 0.41177 4.51389
76 3X01 AMP 0.02997 0.41007 4.51389
77 4PVD NDP 0.0000001076 0.56972 4.86111
78 1J0X NAD 0.003222 0.42083 4.86111
79 3V1Y NAD 0.002079 0.41349 4.86111
80 3NJ4 AFX 0.03366 0.40994 4.86111
81 3NJ4 NAD 0.03431 0.40954 4.86111
82 3RFV NAI 0.004304 0.42709 4.86891
83 3RFV 15L 0.01435 0.40342 4.86891
84 1U8X NAD 0.000831 0.42911 5.08475
85 2B4R AES 0.001797 0.41599 5.20833
86 2B4R NAD 0.002668 0.41065 5.20833
87 5IN4 6CK 0.000175 0.52793 5.21978
88 5IN4 NAP 0.0001781 0.52793 5.21978
89 5IN4 GDP 0.0001942 0.52506 5.21978
90 1TE2 PGA 0.03872 0.40311 5.30973
91 5L95 AMP 0.0007096 0.40388 5.37634
92 2DBZ NAP 0.003241 0.40463 5.38922
93 5JAQ NAI 0.0002362 0.46268 5.55556
94 3KO8 NAD 0.006276 0.42532 5.55556
95 1GUZ NAD 0.001028 0.42396 5.55556
96 1X7D ORN 0.003569 0.41289 5.55556
97 1X7D NAD 0.002227 0.41095 5.55556
98 1LSS NAD 0.0008938 0.40525 5.71429
99 2BKA NDP 0.0139 0.40666 5.78512
100 4XQC NAD 0.007232 0.40642 5.89474
101 4XQC 13D 0.009099 0.40321 5.89474
102 2C29 DQH 0.0000005034 0.57664 5.90278
103 2C29 NAP 0.0000005034 0.57664 5.90278
104 4HXY NDP 0.0000002256 0.5699 5.90278
105 1RKX NAD 0.0000005718 0.55411 5.90278
106 2V6G NAP 0.000006102 0.51391 5.90278
107 2CVQ NDP 0.0006745 0.42434 5.90278
108 1YKJ FAD 0.01105 0.41158 5.90278
109 1YKJ PHB 0.01105 0.41158 5.90278
110 4JDR FAD 0.008377 0.40196 5.90278
111 3LU1 NAD 0.0000003734 0.53908 6.25
112 1PZG A3D 0.0004996 0.44714 6.25
113 1SB8 UD2 0.01161 0.43137 6.25
114 1SB8 NAD 0.01685 0.42087 6.25
115 4ZGS NAD 0.001481 0.40598 6.25
116 1E5Q NDP 0.0006711 0.42499 6.59722
117 3AB1 FAD 0.004131 0.41348 6.59722
118 1EZ4 NAD 0.002704 0.40289 6.59722
119 3HVJ 705 0.003074 0.41549 6.78733
120 4ZRN NAD 0.0000001008 0.52976 6.94444
121 1RPN NDP 0.000003448 0.46942 6.94444
122 2PK3 A2R 0.00002756 0.45182 6.94444
123 2A92 NAI 0.000477 0.44134 6.94444
124 4ZRN UPG 0.000001094 0.43107 6.94444
125 3UOY NAP 0.01173 0.41293 6.94444
126 3UOY FAD 0.01173 0.41293 6.94444
127 5M67 3D1 0.01257 0.4007 6.94444
128 2DT5 NAD 0.001122 0.41626 7.109
129 2HJR APR 0.0002663 0.42934 7.29167
130 1LDN NAD 0.001041 0.42665 7.29167
131 4J1Q NDP 0.0000005201 0.54943 7.63889
132 4EUE NAI 0.00009568 0.46875 7.63889
133 4U7W NDP 0.0000000442 0.59069 7.98611
134 3MJE NDP 0.00000007743 0.58588 7.98611
135 5MZI FYK 0.01111 0.41018 7.98611
136 5MZI FAD 0.01072 0.41018 7.98611
137 2QV7 ADP 0.01869 0.40012 7.98611
138 4XUC 43G 0.00237 0.4165 8.25688
139 4XUC SAM 0.00237 0.4165 8.25688
140 3KLJ FAD 0.003537 0.40839 8.31169
141 1GY8 NAD 0.0000006205 0.55273 8.33333
142 1EQ2 NAP 0.000001672 0.53396 8.33333
143 1Z45 NAD 0.002381 0.44089 8.33333
144 1EK6 UPG 0.000003396 0.55592 9.02778
145 1EK6 NAI 0.000003443 0.55348 9.02778
146 3OA2 NAD 0.001414 0.41242 9.02778
147 4CJN QNZ 0.02849 0.4093 9.02778
148 4GKV NAD 0.002143 0.41823 9.375
149 3H8V ATP 0.0005984 0.40388 9.375
150 3CIF NAD 0.001245 0.42074 9.72222
151 3CIF G3H 0.002762 0.41506 9.72222
152 3ORF NAD 0.0000009984 0.54063 9.96016
153 1ORR NAD 0.0000001725 0.5785 10.0694
154 4R1S NAP 0.0000001609 0.56332 10.4167
155 2Q1S NAI 0.02677 0.40843 11.1111
156 3GFB NAD 0.003723 0.40088 11.1111
157 5GT9 NAP 0.000000005012 0.63454 11.4068
158 2PZM UDP 0.00001323 0.51855 11.8056
159 2PZM NAD 0.00001323 0.51855 11.8056
160 1Y1P NMN AMP PO4 0.000004247 0.49481 11.8056
161 3A06 FOM 0.004204 0.40892 11.8056
162 3A06 NDP 0.003699 0.40883 11.8056
163 3WMX NAD 0.00000391 0.52037 12.1528
164 2EXX NAP 0.0009219 0.43276 12.1528
165 2Q1W NAD 0.000002199 0.49449 12.5
166 2X6T NAP 0.0000006676 0.54948 13.1944
167 5DN9 NAD 0.003336 0.4094 13.1944
168 2Y6Q FAD 0.003324 0.40821 13.5417
169 2Y6Q I7T 0.007585 0.40821 13.5417
170 1WMA AB3 0.000007481 0.52867 13.8889
171 1WMA NDP 0.000007481 0.52867 13.8889
172 3O26 NDP 0.0000002318 0.56735 14.9306
173 5O4J PJL 0.005539 0.40069 14.9635
174 5O4J SAH 0.006085 0.40025 14.9635
175 5O4J 9KH 0.006085 0.40025 14.9635
176 3CH6 311 0.00000005852 0.6364 15.035
177 3CH6 NAP 0.00000005852 0.6364 15.035
178 4K26 NDP 0.000000002741 0.60767 15.2174
179 4K26 SFF 0.00000001011 0.5293 15.2174
180 5L4S 6KX 0.000001309 0.55063 15.2778
181 5L4S NAP 0.000001309 0.55063 15.2778
182 5L53 NAP 0.0000002327 0.53352 15.2778
183 1VL0 NAI 0.0000009793 0.5289 15.2778
184 4O1M NAD 0.000003986 0.51928 17.0139
185 1GZ6 NAI 0.00000007246 0.55727 17.7083
186 5L4L NAP 0.0000006327 0.53095 17.7083
187 5L4L 7OX 0.000005247 0.52646 17.7083
188 1SNY NAP 0.01689 0.4004 17.9775
189 4J36 FAD 0.005685 0.40024 18.75
190 1HDO NAP 0.00006036 0.44047 19.4175
191 3GGO ENO 0.002883 0.42084 19.4444
192 3GGO NAI 0.002883 0.42084 19.4444
193 1FK8 NAD 0.0000000007401 0.64488 19.4553
194 2DKN NAI 0.0000000007903 0.66074 20.7843
195 1XSE NDP 0.000000002447 0.66587 21.6949
196 4ITU NAI 0.000000004607 0.64056 25.6506
197 4ITU 1HS 0.00000001256 0.64056 25.6506
198 2Q46 NAP 0.00000007517 0.58413 25.6917
199 1A27 NAP 0.01721 0.4039 26.7361
200 4YAG NAI 0.00000005589 0.61412 27.4306
201 1N5D NDP 0.0000009958 0.5447 27.7778
202 4Q9N NAI 0.000006828 0.51201 28.1879
203 1ZBQ NAD 0.00000008405 0.58878 29.5139
204 4J7U YTZ 0.000002004 0.55069 29.8611
205 4J7U NAP 0.000002004 0.55069 29.8611
206 3RJ5 NAD 0.0000004656 0.488 31.4961
207 2BD0 NAP 0.000000006808 0.63164 31.5574
208 1OAA OAA 0.01109 0.42577 32.0463
209 3TN7 NJP 0.007539 0.42064 35.0195
210 2GDZ NAD 0.00139 0.45093 35.9551
211 1Z6Z NAP 0.0000003549 0.56016 36.5248
212 1W73 NAP 0.000000006011 0.6446 37.7483
213 1W8D NAP 0.000000003893 0.61115 37.7483
214 4FC7 COA 0.00000002645 0.62737 38.6282
215 4FC7 NAP 0.00000002645 0.62737 38.6282
216 4D42 NAP 0.000001349 0.56698 39.0071
217 4D42 W0I 0.000001349 0.56698 39.0071
218 1W6U NAP 0.000000006253 0.60298 39.0728
219 2BGM NAJ 0.04601 0.4062 39.2086
220 2PD4 DCN 0.000004488 0.52602 39.6364
221 2PD4 NAD 0.000005145 0.52366 39.6364
222 3ZV6 NAD 0.01207 0.42232 39.8577
223 3ZV6 4HB 0.01265 0.42232 39.8577
224 3V1U NAD 0.003959 0.42567 39.9306
225 4OSP NAP 0.000000000201 0.68376 40.3042
226 4O0L NDP 0.000000001168 0.62108 40.7273
227 3GEG NAD 0.0009401 0.45521 41.2955
228 1BDB NAD 0.03352 0.41972 41.5162
229 1NNU TCT 0.0001065 0.50911 41.6667
230 1NNU NAD 0.0001028 0.50911 41.6667
231 3WXB NDP 0.0000002999 0.53533 41.9355
232 1JA9 NDP 0.003202 0.46715 41.9708
233 1U7T TDT 0.00000001285 0.63845 42.1456
234 1U7T NAD 0.00000003548 0.59436 42.1456
235 1E3W NAD 0.0000000178 0.58749 42.1456
236 1E6W NAD 0.00000001173 0.59405 42.6923
237 1QG6 NAD 0.000005956 0.53273 42.9119
238 1QG6 TCL 0.000005956 0.53273 42.9119
239 5CG1 NAD BBN 0.000007785 0.54568 43.4028
240 4OHU NAD 0.00001034 0.53551 43.4028
241 4OHU 2TK 0.00001034 0.53551 43.4028
242 1NFQ NAI 0.000000004047 0.64051 43.4615
243 2Q2V NAD 0.0003059 0.48358 43.5294
244 2WYV NAD 0.00001407 0.49796 43.6782
245 2JAH NDP 0.00000005033 0.59538 43.7247
246 1IY8 NAD 0.0000000042 0.63754 43.8202
247 3OJF NDP 0.00000365 0.52959 43.9689
248 3OJF IMJ 0.000006468 0.52858 43.9689
249 2JAP NDP 0.00000001499 0.58158 44.1296
250 1G0N PHH 0.00008708 0.51807 44.1696
251 1G0N NDP 0.00008948 0.51376 44.1696
252 1X1T NAD 0.001819 0.48006 44.2308
253 5ITV NAI 0.0000000009863 0.66215 44.3137
254 3ICC NAP 0.0001006 0.50305 44.3137
255 3VZS NAP 0.00000002942 0.49068 44.358
256 3VZS CAA 0.0000001245 0.41204 44.358
257 3QWI NAP 0.0000000002707 0.68664 44.4444
258 3QWI CUE 0.0000000008384 0.68664 44.4444
259 3A28 NAD 0.000000008574 0.59904 44.5736
260 4FN4 NAD 0.000000001741 0.65002 44.8819
261 2ZAT NAP 0.00000009912 0.58171 45
262 1AE1 NAP 0.000000004002 0.64297 45.0549
263 5EPO NAP 0.00000104 0.54198 45.4198
264 4ZA2 NAD 0.000000004205 0.63263 45.4545
265 2DTX BMA 0.002653 0.44972 45.8333
266 1XG5 NAP 0.00000001288 0.61851 45.8781
267 3AFN NAP 0.0000000008701 0.66911 46.124
268 1ZEM NAD 0.000000007261 0.61417 46.1832
269 2EWM NAD 0.003344 0.43589 46.1847
270 3NUG NAD 0.000000001374 0.65652 46.5587
271 5T2U NAP 0.000000001509 0.65968 46.7742
272 1VL8 NAP 0.000000003073 0.58934 46.8165
273 3O03 NAP 0.003893 0.42749 46.875
274 3AY6 NAI 0.00000001584 0.53626 47.2119
275 3AY6 BGC 0.00000005861 0.45981 47.2119
276 1O5I NAD 0.00002645 0.45166 47.3896
277 1ZK4 AC0 0.006392 0.45754 47.4104
278 1ZK4 NAP 0.006392 0.45754 47.4104
279 1H5Q NAP 0.0000000003299 0.68074 47.5472
280 2CFC NAD 0.000000003338 0.63651 47.6
281 2WSB NAD 0.00000003749 0.61784 47.6378
282 2AE2 PTO 0.00000000305 0.66199 47.6923
283 2AE2 NAP 0.00000000305 0.66199 47.6923
284 1XKQ NDP 0.000000006651 0.63427 47.8571
285 3D3W NAP 0.00000000855 0.62997 47.9508
286 1PR9 NAP 0.001699 0.45121 47.9508
287 2B4Q NAP 0.007689 0.419 48.1884
288 3U4C NDP 0.001615 0.44669 48.3986
289 4NBW NAD 0.00000001119 0.61367 48.6381
290 4QED NAP 0.00000003618 0.59874 48.7903
291 3OID NDP 0.0000000001006 0.70608 48.8372
292 4NBT NAD 0.000000008056 0.62169 49.1667
293 2AG5 NAD 0.0000002653 0.56507 49.187
294 1GEE NAD 0.00000001047 0.59534 49.4253
295 4NBU NAI 0.00000000183 0.65165 50
Pocket No.: 2; Query (leader) PDB : 3JQ7; Ligand: DX2; Similar sites found: 24
This union binding pocket(no: 2) in the query (biounit: 3jq7.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3U2U UDP 0.03055 0.4151 1.52091
2 1ICP FMN 0.03312 0.4068 2.08333
3 1Z4O GL1 0.01339 0.40958 2.26244
4 1KEW TYD 0.03774 0.4191 2.77778
5 4WQM FAD 0.02989 0.40328 3.47222
6 1VYP FMN 0.01873 0.42059 3.81944
7 1VYP TNF 0.01766 0.42059 3.81944
8 4M52 FAD 0.04235 0.41207 4.16667
9 4PVD NDP 0.02327 0.41642 4.86111
10 1F20 FAD 0.0229 0.40512 5.55556
11 1SB8 UD2 0.005506 0.47094 6.25
12 1SB8 NAD 0.0348 0.41993 6.25
13 5G3U FDA 0.04775 0.40916 6.25
14 4XDZ NDP 0.02608 0.41342 7.63889
15 2E5A LAQ 0.0254 0.41154 7.63889
16 4U7W NDP 0.0443 0.40212 7.98611
17 1V9A SAH 0.02384 0.40194 8.78661
18 1XSE NDP 0.007965 0.45268 21.6949
19 1OAA OAA 0.02752 0.42406 32.0463
20 4FC7 NAP 0.03305 0.41954 38.6282
21 4FC7 COA 0.03305 0.41954 38.6282
22 3ZV6 4HB 0.01983 0.43162 39.8577
23 1U7T TDT 0.02482 0.42157 42.1456
24 1ZK4 NAP 0.02821 0.41605 47.4104
Pocket No.: 3; Query (leader) PDB : 3JQ7; Ligand: NAP; 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: 3jq7.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3JQ7; 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: 3jq7.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3JQ7; Ligand: DX2; 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: 3jq7.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3JQ7; Ligand: DX2; 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: 3jq7.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3JQ7; Ligand: DX2; 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: 3jq7.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3JQ7; 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: 3jq7.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback