Receptor
PDB id Resolution Class Description Source Keywords
5JDI 1.38 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH COFACTOR AND INHIBIT H024 (COMPOUND 2) 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
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(...
6JO B:302;
A:304;
D:302;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
270.237 C15 H10 O5 c1cc(...
ACT C:302;
A:303;
A:302;
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
5JDI 1.38 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH COFACTOR AND INHIBIT H024 (COMPOUND 2) 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 5JDI - 6JO C15 H10 O5 c1cc(cc(c1....
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 5JDI - 6JO C15 H10 O5 c1cc(cc(c1....
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 5JDI - 6JO C15 H10 O5 c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; 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
Ligand no: 2; Ligand: 6JO; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 6JO 1 1
2 6JM 0.660714 0.966667
3 FL8 0.426471 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JDI; Ligand: 6JO; Similar sites found: 24
This union binding pocket(no: 1) in the query (biounit: 5jdi.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5JKG 6LF 0.04196 0.4104 2.08333
2 3VP6 HLD 0.02474 0.40893 2.43056
3 4GLL NAD 0.009145 0.44257 2.77778
4 4TQG NDP 0.004816 0.45451 2.78638
5 5TDF 7A3 0.02311 0.40365 3.47222
6 4J5R A1R 0.03403 0.40142 4.10959
7 5SYM 71Q 0.0146 0.41246 4.34783
8 1ZPD DPX 0.0273 0.41333 4.51389
9 4J1Q NDP 0.02873 0.41027 7.63889
10 4NMC FAD 0.03919 0.41372 7.98611
11 4NMC 2OP 0.0377 0.41372 7.98611
12 3CH6 NAP 0.007379 0.47074 15.035
13 3CH6 311 0.007379 0.47074 15.035
14 4Q9N NAI 0.04652 0.40215 28.1879
15 4J7U NAP 0.02355 0.42934 29.8611
16 4J7U YTZ 0.02355 0.42934 29.8611
17 4FC7 NAP 0.01062 0.44826 38.6282
18 4FC7 COA 0.01062 0.44826 38.6282
19 1NFQ NAI 0.003255 0.46848 43.4615
20 1HDC CBO 0.008498 0.42827 43.7008
21 1AE1 NAP 0.008801 0.44491 45.0549
22 3AFN NAP 0.01407 0.43341 46.124
23 2WSB NAD 0.005776 0.46213 47.6378
24 1PR9 NAP 0.0208 0.42475 48.3607
Pocket No.: 2; Query (leader) PDB : 5JDI; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5jdi.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5JDI; 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: 5jdi.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5JDI; Ligand: 6JO; 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: 5jdi.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5JDI; Ligand: NAP; Similar sites found: 295
This union binding pocket(no: 5) in the query (biounit: 5jdi.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CLO NS8 0.04438 0.40191 None
2 4BWL MN9 0.005282 0.45314 1.04167
3 4XUC SAM 0.002174 0.41526 1.37615
4 4XUC 43G 0.002174 0.41526 1.37615
5 5E8J SAH 0.00978 0.41835 1.38889
6 5ULP KB1 0.005166 0.40477 1.49254
7 5D4V SAH 0.007214 0.40446 1.49254
8 2G5C NAD 0.001106 0.41569 1.77936
9 2YVJ NAI 0.002323 0.43604 2.08333
10 1KYZ SAH 0.002891 0.43557 2.08333
11 1HYH NAD 0.0003745 0.42839 2.08333
12 5JE8 NAD 0.001204 0.42741 2.08333
13 2O4C NAD 0.0009437 0.42535 2.08333
14 3CMC NAD 0.007552 0.41823 2.08333
15 2CDU FAD 0.003176 0.41117 2.08333
16 3A4T SFG 0.006827 0.40548 2.18978
17 2YY7 NAD 0.000001662 0.53122 2.43056
18 1O6Z NAD 0.0008044 0.43779 2.43056
19 4N9Z V3L 0.008717 0.43721 2.43056
20 5CAE COA 0.00323 0.41312 2.43056
21 1U1I NAD 0.0006632 0.40701 2.43056
22 3B20 NAD 0.00495 0.40553 2.43056
23 1GQ2 NAP 0.00363 0.40014 2.43056
24 2F1K NAP 0.0003871 0.44373 2.50896
25 2XVM SAH 0.02275 0.40063 2.51256
26 4D79 ATP 0.008022 0.41178 2.53623
27 1XXA ARG 0.04199 0.4016 2.5641
28 3W9F I3P 0.02597 0.42715 2.69231
29 4GLL NAD 0.0000001278 0.57612 2.77778
30 2DFV NAD 0.0007586 0.42282 2.77778
31 1X87 NAD 0.002642 0.41978 2.77778
32 5H81 NAP 0.003406 0.41831 2.77778
33 3L9W AMP 0.0008697 0.41704 2.77778
34 1KEW TYD 0.000008448 0.4147 2.77778
35 1F8G NAD 0.004681 0.41245 2.77778
36 1KEW NAD 0.000008293 0.41167 2.77778
37 1OMO NAD 0.004375 0.40772 2.77778
38 3L9W GSH 0.002374 0.40717 2.77778
39 1UP7 NAD 0.001962 0.4009 2.77778
40 4TQG NDP 0.00000004326 0.58761 2.78638
41 2DC1 NAD 0.0007338 0.42963 2.9661
42 3A4V NAD 0.0000008924 0.49273 3.125
43 3A4V PYR 0.0000008924 0.49273 3.125
44 1MV8 NAD 0.001605 0.41938 3.125
45 1NVM NAD 0.001552 0.4058 3.125
46 2IF8 ADP 0.04203 0.40158 3.125
47 1I2B USQ 0.005721 0.44461 3.21782
48 1I2B NAD 0.005721 0.44461 3.21782
49 1I2B UPG 0.005721 0.44461 3.21782
50 2VT3 ATP 0.0008425 0.47455 3.25581
51 1SW1 PBE 0.02939 0.41104 3.27273
52 4CNK FAD 0.001462 0.42674 3.32481
53 5BUK FAD 0.001631 0.43112 3.47222
54 1CER NAD 0.001018 0.42717 3.47222
55 1PL6 572 0.00147 0.4193 3.47222
56 2P41 SAH 0.005616 0.41877 3.47222
57 4TTB FMN 0.007717 0.41595 3.47222
58 1PL6 NAD 0.0002696 0.4153 3.47222
59 4Z4P SAH 0.0162 0.40434 3.61446
60 3EVG SAH 0.00283 0.43218 3.63636
61 1BXK NAD 0.0000006163 0.54369 3.81944
62 1V59 NAD 0.003888 0.44194 3.81944
63 5LD5 NAD 0.001725 0.42748 3.81944
64 4RQU NAD 0.001034 0.42093 3.81944
65 4MIG G3F 0.007244 0.40832 3.81944
66 1E6E FAD 0.001695 0.4219 3.90625
67 1R18 SAH 0.005914 0.40813 3.96476
68 1P77 ATR 0.008212 0.43942 4.04412
69 5MSO NAP 0.0000004721 0.55854 4.16667
70 2FR1 NDP 0.0000001858 0.54165 4.16667
71 3VPH NAD 0.0001056 0.43803 4.16667
72 5KKA 6V0 0.0002712 0.4288 4.16667
73 3KB6 NAD 0.0008633 0.4269 4.16667
74 3VPH OXM 0.0002297 0.41887 4.16667
75 1GET NAP 0.01227 0.41044 4.16667
76 1SC6 NAD 0.002823 0.40834 4.16667
77 1ZMD NAI 0.0062 0.40152 4.16667
78 1GET FAD 0.01894 0.40118 4.16667
79 2FZW NAD 0.008779 0.40063 4.16667
80 4PIV NDP 0.00000007591 0.56095 4.39394
81 1WDK NAD 0.0007601 0.4423 4.51389
82 3ABI NAD 0.0002484 0.43958 4.51389
83 2GZ3 NAP 0.001548 0.43577 4.51389
84 2C5A GDC 0.0000003418 0.43367 4.51389
85 2C5A NAD 0.0000003418 0.43367 4.51389
86 4L8V NAP 0.0009883 0.42315 4.51389
87 3X01 AMP 0.03273 0.40921 4.51389
88 5X20 NAD 0.004508 0.40438 4.51389
89 4TXI FAD 0.001346 0.40302 4.51389
90 3O7W SAM 0.02032 0.40301 4.51389
91 4JLS 3ZE 0.04646 0.40007 4.60526
92 1JNR FAD 0.01423 0.41048 4.66667
93 5GVR LMR 0.02427 0.42311 4.70085
94 4PVD NDP 0.0000001832 0.57474 4.86111
95 3V1Y NAD 0.0004292 0.44196 4.86111
96 1J0X NAD 0.001001 0.43869 4.86111
97 3NJ4 NAD 0.01165 0.42904 4.86111
98 3NJ4 AFX 0.0122 0.42814 4.86111
99 1MUU NAD 0.004266 0.40535 4.86111
100 3TTN SPD 0.04257 0.40166 4.86111
101 1EJ0 SAM 0.01293 0.40241 5
102 1WMA AB3 0.000002088 0.44875 5.07246
103 1WMA NDP 0.000002088 0.44875 5.07246
104 3QX9 ATP 0.01751 0.42282 5.07246
105 2B4R NAD 0.000764 0.41765 5.20833
106 5JJR SAH 0.007575 0.41291 5.20833
107 2B4R AES 0.001949 0.40641 5.20833
108 5IN4 NAP 0.00007794 0.54128 5.21978
109 5IN4 6CK 0.00007649 0.54128 5.21978
110 5IN4 GDP 0.0000855 0.53826 5.21978
111 5L95 AMP 0.0007413 0.4542 5.37634
112 3WV8 ATP 0.001294 0.44354 5.50459
113 1DKU AP2 0.006579 0.45353 5.55556
114 1GUZ NAD 0.0002396 0.4451 5.55556
115 1C1X NAD 0.001694 0.41845 5.55556
116 1BW9 NAD 0.003986 0.41541 5.55556
117 1L7E NAI 0.003513 0.41162 5.55556
118 1X7D ORN 0.004381 0.40678 5.55556
119 1X7D NAD 0.002544 0.40603 5.55556
120 5JAQ NAI 0.0003019 0.40513 5.55556
121 2I3G NAP 0.001757 0.40432 5.55556
122 4CJX NAP 0.003004 0.41147 5.64263
123 1LSS NAD 0.000772 0.44945 5.71429
124 4HXY NDP 0.00000005049 0.56878 5.90278
125 1RKX NAD 0.0000002756 0.54249 5.90278
126 2C29 NAP 0.0000001606 0.4769 5.90278
127 2C29 DQH 0.000000508 0.46296 5.90278
128 2CVQ NDP 0.0004886 0.43332 5.90278
129 1WP4 NDP 0.001828 0.41428 5.90278
130 1V8B NAD 0.004598 0.40485 5.90278
131 3G2O SAM 0.004557 0.42286 6.02007
132 3LU1 NAD 0.0000001453 0.55936 6.25
133 3OJO NAD 0.0009789 0.43773 6.25
134 1X14 NAD 0.003498 0.43177 6.25
135 1PZG A3D 0.0002506 0.41046 6.25
136 4WOE 3S5 0.04095 0.4017 6.25
137 1ZQ9 SAM 0.002934 0.43147 6.31579
138 1EZ4 NAD 0.0006255 0.43551 6.59722
139 1OC2 NAD 0.000004474 0.40765 6.59722
140 1OC2 TDX 0.000004474 0.40765 6.59722
141 1DJN ADP 0.005511 0.40647 6.59722
142 4RDH AMP 0.01684 0.40354 6.59722
143 4KRG SAH 0.01705 0.40328 6.59722
144 2AJH MET 0.03736 0.40157 6.63265
145 1L7N AF3 0.04782 0.40889 6.63507
146 1KYQ NAD 0.003756 0.43035 6.93431
147 4ZRN NAD 0.0000000388 0.54883 6.94444
148 1RPN NDP 0.000001247 0.48818 6.94444
149 4ZRN UPG 0.0000004278 0.44545 6.94444
150 2A92 NAI 0.0002857 0.42813 6.94444
151 2DT5 NAD 0.0003336 0.43963 7.109
152 2DBZ NAP 0.0009167 0.42291 7.18563
153 1LDN NAD 0.0002855 0.44531 7.29167
154 4JK3 NAD 0.0009656 0.42808 7.33591
155 4J4H NAI 0.003271 0.42072 7.33591
156 4J4H 1J1 0.003271 0.42072 7.33591
157 1TZD ADP 0.00747 0.45 7.63636
158 4J1Q NDP 0.0000001111 0.56689 7.63889
159 4EUE NAI 0.00002737 0.46511 7.63889
160 1EBF NAD 0.001017 0.407 7.63889
161 2FHE GSH 0.04166 0.40336 7.87037
162 4NEC SAH 0.02166 0.40167 7.95455
163 4U7W NDP 0.00000001559 0.61059 7.98611
164 3MJE NDP 0.0000000201 0.59122 7.98611
165 3GCZ SAM 0.003351 0.42888 8.15603
166 2D2I NAP 0.004454 0.41033 8.1579
167 3KLJ FAD 0.001256 0.40048 8.31169
168 1GY8 NAD 0.0000003954 0.5359 8.33333
169 1EQ2 NAP 0.0000007684 0.53219 8.33333
170 1U8X NAD 0.0008683 0.4299 8.33333
171 1CF2 NAP 0.002345 0.40196 8.33333
172 1DCP HBI 0.00811 0.43833 8.65385
173 2PV7 NAD 0.001069 0.42331 8.68056
174 2UYQ SAM 0.01457 0.42933 9.02778
175 1EK6 NAI 0.000001806 0.4159 9.02778
176 3OA2 NAD 0.001774 0.41199 9.02778
177 1EK6 UPG 0.00000183 0.40873 9.02778
178 3H8V ATP 0.0006248 0.4617 9.375
179 5MDH NAD 0.000133 0.45836 9.375
180 4MDH NAD 0.0003866 0.44041 9.375
181 1E5Q NDP 0.0006357 0.42897 9.375
182 4GKV NAD 0.000571 0.40907 9.375
183 3CIF NAD 0.0003991 0.43667 9.72222
184 3CIF G3H 0.002932 0.41138 9.72222
185 3ORF NAD 0.0000008888 0.53764 9.96016
186 1ORR NAD 0.00000007613 0.54773 10.0694
187 1TI7 NAP 0.00373 0.41987 10.0694
188 2VUT NAD 0.00463 0.41581 10.0694
189 3EJ0 11X 0.01875 0.41627 10.7143
190 3GFB NAD 0.0007089 0.43021 11.1111
191 1Y1P NMN AMP PO4 0.000002503 0.54556 11.8056
192 2PZM NAD 0.000006671 0.52633 11.8056
193 2PZM UDP 0.000006671 0.52633 11.8056
194 2EXX NAP 0.0003715 0.41671 12.1528
195 2Q1W NAD 0.0000006284 0.51647 12.5
196 3R75 PYR 0.02635 0.41785 12.8472
197 3LKZ SFG 0.006387 0.41293 12.8472
198 2X6T NAP 0.0000003082 0.54696 13.1944
199 2HK9 ATR 0.004607 0.44282 13.1944
200 5DN9 NAD 0.0009763 0.40591 13.1944
201 2HK9 NAP 0.00466 0.40381 13.1944
202 2OOR NAD 0.005321 0.41008 13.2184
203 2NAD NAD 0.002253 0.41586 13.5417
204 2Y6Q FAD 0.0007906 0.411 13.5417
205 1E7S NAP 0.0129 0.4095 13.5417
206 4D3F NAP 0.0009954 0.44098 13.8889
207 2VYN NAD 0.002318 0.40757 13.8889
208 3O26 NDP 0.00000006154 0.57303 14.9306
209 3CH6 311 0.00000002406 0.64691 15.035
210 3CH6 NAP 0.00000002406 0.64691 15.035
211 4K26 NDP 0.00000000463 0.60585 15.2174
212 4K26 SFF 0.00000001522 0.52773 15.2174
213 5L53 NAP 0.0000002302 0.59509 15.2778
214 5L4S 6KX 0.000000372 0.56734 15.2778
215 5L4S NAP 0.000000372 0.56734 15.2778
216 3QV1 NAD 0.001061 0.42961 15.8537
217 4O1M NAD 0.000004131 0.51416 17.0139
218 2F5Z FAD 0.006198 0.40674 17.1875
219 1GZ6 NAI 0.0000001157 0.55531 17.7083
220 2JJQ SAH 0.005403 0.43075 18.0556
221 5TCI MLI 0.02461 0.41444 18.4028
222 4J36 FAD 0.001465 0.42067 18.75
223 4J36 1HR 0.002863 0.42029 18.75
224 1HDO NAP 0.00002015 0.45874 19.4175
225 3GGO NAI 0.0007652 0.44126 19.4444
226 3GGO ENO 0.0007652 0.44126 19.4444
227 1FK8 NAD 0.00000000131 0.66659 19.4553
228 2DKN NAI 0.000000000315 0.66899 20.7843
229 1XSE NDP 0.0000000008993 0.55715 21.6949
230 2Q46 NAP 0.00000006438 0.58104 25.6917
231 1N5D NDP 0.0000003388 0.53836 27.7778
232 4Q9N NAI 0.000001476 0.53321 28.1879
233 1ZBQ NAD 0.0000000279 0.56926 29.5139
234 4J7U YTZ 0.0000006484 0.56565 29.8611
235 4J7U NAP 0.0000006484 0.56565 29.8611
236 3RJ5 NAD 0.0000002575 0.50049 31.4961
237 2BD0 NAP 0.000000003226 0.60314 31.9672
238 2GDZ NAD 0.0005965 0.4636 35.9551
239 1Z6Z NAP 0.0000004603 0.55062 36.5248
240 1W8D NAP 0.0000000008535 0.68176 37.7483
241 1W73 NAP 0.000000001238 0.67516 37.7483
242 4FC7 NAP 0.00000005954 0.60728 38.6282
243 4FC7 COA 0.00000005954 0.60728 38.6282
244 4D42 NAP 0.0000004362 0.58226 39.0071
245 4D42 W0I 0.0000004362 0.58226 39.0071
246 1W6U NAP 0.000000001279 0.67459 39.0728
247 2PD4 DCN 0.000003381 0.52634 39.6364
248 2PD4 NAD 0.000003653 0.52503 39.6364
249 3V1U NAD 0.00173 0.43804 39.9306
250 3WXB NDP 0.00000008049 0.56088 41.9355
251 1U7T NAD 0.00000001202 0.61496 42.1456
252 1E3W NAD 0.000000007648 0.60684 42.1456
253 1U7T TDT 0.0000000056 0.53044 42.1456
254 1E6W NAD 0.000000004673 0.61478 42.6923
255 1QG6 NAD 0.000002021 0.54722 42.9119
256 1QG6 TCL 0.000002021 0.54722 42.9119
257 5CG1 NAD BBN 0.000002326 0.41071 43.4028
258 4OHU NAD 0.000003083 0.40858 43.4028
259 4OHU 2TK 0.000003083 0.40858 43.4028
260 1NFQ NAI 0.000000001984 0.64598 43.4615
261 2Q2V NAD 0.0000000006595 0.61811 43.5294
262 2WYV NAD 0.000007064 0.4974 43.6782
263 3OJF NDP 0.000001391 0.49406 43.9689
264 3OJF IMJ 0.000002116 0.45862 43.9689
265 1YXM ADE 0.00008016 0.54534 44.0972
266 5ITV NAI 0.0000000004812 0.64144 44.3137
267 3VZS NAP 0.00000001817 0.50247 44.358
268 3VZS CAA 0.00000007068 0.42223 44.358
269 3QWI NAP 0.00000000008421 0.65741 44.4444
270 3QWI CUE 0.0000000002767 0.56611 44.4444
271 1AE1 NAP 0.000000001408 0.65408 45.0549
272 2ZAT NAP 0.00000005831 0.57427 45.3846
273 4ZA2 NAD 0.000000008349 0.61481 45.4545
274 2DTX BMA 0.00143 0.45879 45.8333
275 3AFN NAP 0.0000000005216 0.67081 46.124
276 1ZEM NAD 0.000000002073 0.65143 46.1832
277 3NUG NAD 0.0000000007153 0.63469 46.5587
278 1VL8 NAP 0.000000002359 0.59975 46.8165
279 3O03 NAP 0.001393 0.44354 46.875
280 2AE2 PTO 0.000000001102 0.55894 46.9231
281 2AE2 NAP 0.000000001102 0.55894 46.9231
282 3AY6 NAI 0.000000006597 0.55356 47.2119
283 3AY6 BGC 0.00000002773 0.47264 47.2119
284 1O5I NAD 0.000007296 0.54264 47.3896
285 1H5Q NAP 0.0000000001652 0.65737 47.5472
286 2CFC NAD 0.000000001664 0.64148 47.6
287 2WSB NAD 0.00000001396 0.62909 47.6378
288 1XKQ NDP 0.000000002375 0.59836 47.8571
289 2B4Q NAP 0.00000001156 0.60029 48.1884
290 3D3W NAP 0.000000004136 0.59095 48.3607
291 1PR9 NAP 0.0008155 0.46207 48.3607
292 4QED NAP 0.000000008209 0.60598 48.7903
293 3OID NDP 0.00000000004106 0.71363 48.8372
294 4NBT NAD 0.000000003535 0.62902 49.1667
295 1GEE NAD 0.000000004036 0.61693 49.4253
Pocket No.: 6; Query (leader) PDB : 5JDI; Ligand: 6JO; 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: 5jdi.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5JDI; 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: 5jdi.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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