Receptor
PDB id Resolution Class Description Source Keywords
3H4V 2.4 Å EC: 1.5.1.33 SELECTIVE SCREENING AND DESIGN TO IDENTIFY INHIBITORS OF LEISHMANIA MAJOR PTERIDINE REDUCTASE 1 LEISHMANIA MAJOR SHORT-CHAIN REDUCTASE LEISHMANIA TRYPANOSOMA PTR1 INHIBITOR OXIDOREDUCTASE METHOTREXATE RESISTANCE NADP
Ref.: DISCOVERY OF POTENT PTERIDINE REDUCTASE INHIBITORS TO GUIDE ANTIPARASITE DRUG DEVELOPMENT PROC.NATL.ACAD.SCI.USA V. 105 1448 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DVP A:301;
B:301;
C:301;
D:301;
E:301;
F:301;
G:301;
H:301;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
Ki = 0.1 uM
436.467 C21 H24 N8 O3 COC(=...
NAP A:300;
B:300;
C:300;
D:300;
E:300;
F:300;
G:300;
H:300;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
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
3H4V 2.4 Å EC: 1.5.1.33 SELECTIVE SCREENING AND DESIGN TO IDENTIFY INHIBITORS OF LEISHMANIA MAJOR PTERIDINE REDUCTASE 1 LEISHMANIA MAJOR SHORT-CHAIN REDUCTASE LEISHMANIA TRYPANOSOMA PTR1 INHIBITOR OXIDOREDUCTASE METHOTREXATE RESISTANCE NADP
Ref.: DISCOVERY OF POTENT PTERIDINE REDUCTASE INHIBITORS TO GUIDE ANTIPARASITE DRUG DEVELOPMENT PROC.NATL.ACAD.SCI.USA V. 105 1448 2008
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 2BF7 - HBI C9 H13 N5 O3 C[C@@H]([C....
2 5L4N ic50 = 57 uM 6QT C15 H12 O4 c1cc(cc(c1....
3 3H4V Ki = 0.1 uM DVP C21 H24 N8 O3 COC(=O)C1C....
4 1E7W - MTX C20 H22 N8 O5 CN(Cc1cnc2....
5 1E92 - HBI C9 H13 N5 O3 C[C@@H]([C....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 2BF7 - HBI C9 H13 N5 O3 C[C@@H]([C....
2 5L4N ic50 = 57 uM 6QT C15 H12 O4 c1cc(cc(c1....
3 3H4V Ki = 0.1 uM DVP C21 H24 N8 O3 COC(=O)C1C....
4 1E7W - MTX C20 H22 N8 O5 CN(Cc1cnc2....
5 1E92 - HBI C9 H13 N5 O3 C[C@@H]([C....
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 4CLX Ki = 1.2 uM Q0K C13 H12 N4 O Cc1ccc(cc1....
2 4CM1 Ki = 0.32 uM IQW C13 H13 N5 Cc1ccc(cc1....
3 4CM7 Ki = 0.26 uM H0V C14 H15 N5 c1ccc(cc1)....
4 3JQ6 Ki = 3.3 uM DX1 C12 H18 N6 CC(C)c1c(n....
5 4CMB Ki = 0.56 uM UEN C18 H20 F N5 c1cc(ccc1c....
6 4CMG Ki = 0.58 uM UHX C19 H16 F N5 O COc1ccc(cc....
7 2X9N Ki > 0.035 mM AX3 C6 H10 N6 C1CC1Nc2nc....
8 4CMC Ki = 0.2 uM VS8 C24 H25 N5 c1ccc(cc1)....
9 4CLH Ki = 8.6 uM W8G C10 H13 N5 S c1c[nH]c2c....
10 5JCX ic50 ~ 60 uM CC6 C15 H10 O6 c1ccc(c(c1....
11 4CMA Ki = 0.59 uM M2N C18 H15 N5 c1ccc(cc1)....
12 2WD8 Kd = 10.6 uM VGF C20 H15 Cl2 N3 c1ccc(cc1)....
13 3GN1 Ki = 288 uM AX7 C7 H7 N3 c1ccc2c(c1....
14 4CM6 Ki = 0.137 uM AOB C15 H11 N5 O c1ccc(cc1)....
15 4CLE Ki = 4.2 uM JR2 C10 H13 N5 c1c[nH]c2c....
16 4CM5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
17 3GN2 Ki = 0.4 uM AX8 C14 H11 Cl2 N3 c1ccc2c(c1....
18 4CMJ Ki = 0.135 uM UIH C18 H14 Br N5 c1ccc(cc1)....
19 2X9G Ki ~ 30 nM LYA C20 H21 N5 O6 c1cc(ccc1C....
20 2C7V Ki = 152 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
21 3JQE Ki = 0.36 uM DX8 C14 H11 N5 O2 COc1ccc(cc....
22 2X9V Ki ~ 70 nM TMQ C19 H24 N5 O3 Cc1c(ccc2c....
23 4CM3 Ki = 0.4 uM KP2 C12 H11 N5 c1ccc(cc1)....
24 4CMK Ki = 0.95 uM FQW C20 H18 N4 O c1ccc(cc1)....
25 4CLD Ki = 8.8 uM JUO C11 H12 N6 S c1c(c2c([n....
26 4CL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 3JQC Ki = 3.9 uM JU2 C7 H4 Br N5 O C(#N)c1c2c....
28 1MXH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
29 1MXF - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
30 2BF7 - HBI C9 H13 N5 O3 C[C@@H]([C....
31 3H4V Ki = 0.1 uM DVP C21 H24 N8 O3 COC(=O)C1C....
32 1E7W - MTX C20 H22 N8 O5 CN(Cc1cnc2....
33 1E92 - HBI C9 H13 N5 O3 C[C@@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DVP; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 DVP 1 1
2 04J 0.53 0.716418
3 PT1 0.447917 0.707692
4 COP 0.441667 0.720588
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 : 3H4V; Ligand: DVP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3h4v.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3H4V; Ligand: NAP; Similar sites found: 302
This union binding pocket(no: 2) in the query (biounit: 3h4v.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HDO NAP 0.00007904 0.464 None
2 4CJX NAP 0.003609 0.42232 1.04167
3 1TZD ADP 0.01149 0.45295 1.09091
4 4Z4P SAH 0.0319 0.40257 1.20482
5 3LU1 NAD 0.0000009434 0.55287 1.73611
6 2YY7 NAD 0.000008191 0.44824 1.73611
7 1KEW TYD 0.00001476 0.44128 1.73611
8 1KEW NAD 0.00001967 0.43503 1.73611
9 3KB6 NAD 0.001397 0.43365 1.73611
10 1X14 NAD 0.006967 0.43149 1.73611
11 4RQU NAD 0.001836 0.42604 1.73611
12 2XYQ SAH 0.01964 0.4068 1.73611
13 1KYQ NAD 0.006547 0.43279 1.82482
14 4TTB FMN 0.02869 0.40185 1.88679
15 5F5N NAD 0.00008066 0.48782 2.08333
16 1EZ4 NAD 0.001361 0.43708 2.08333
17 5H81 NAP 0.004487 0.4271 2.08333
18 5U5G NAP 0.002065 0.424 2.08333
19 5JJR SAH 0.0109 0.41888 2.08333
20 3L9W AMP 0.004375 0.40612 2.08333
21 2F1K NAP 0.0008769 0.44497 2.15054
22 2HJR APR 0.000153 0.48798 2.43056
23 2C5A GDC 0.000001974 0.45485 2.43056
24 2C5A NAD 0.000001974 0.45485 2.43056
25 2DFV NAD 0.0007755 0.44405 2.43056
26 3OJO NAD 0.002373 0.43612 2.43056
27 3GFB NAD 0.001335 0.43445 2.43056
28 4TXI FAD 0.001643 0.42008 2.43056
29 4E5N NAD 0.004334 0.40628 2.43056
30 2Y6Q FAD 0.004254 0.40429 2.43056
31 3E5P PPI 0.01309 0.40239 2.43056
32 5ULP KB1 0.008823 0.40854 2.61194
33 5D4V SAH 0.01796 0.40026 2.61194
34 1ORR NAD 0.0000006354 0.54588 2.77778
35 2CVQ NDP 0.0007549 0.44149 2.77778
36 5JAQ NAI 0.0002587 0.4318 2.77778
37 2A92 NAI 0.001149 0.42601 2.77778
38 1U8X NAD 0.00256 0.42572 2.77778
39 3R75 PYR 0.03538 0.42078 2.77778
40 2P41 SAH 0.01066 0.41935 2.77778
41 1PZG A3D 0.0008648 0.41827 2.77778
42 1OMO NAD 0.006045 0.41559 2.77778
43 3EVG SAH 0.005562 0.43264 2.90909
44 4BCQ TJF 0.03874 0.41165 3.05344
45 2PZM NAD 0.00001098 0.47558 3.125
46 2PZM UDP 0.00001098 0.47558 3.125
47 2EXX NAP 0.0006314 0.43059 3.125
48 5LD5 NAD 0.003214 0.43038 3.125
49 3LKZ SFG 0.01302 0.4122 3.125
50 2BRY FAD 0.002673 0.40965 3.125
51 1DJN ADP 0.01045 0.40801 3.125
52 2CVZ NDP 0.00908 0.40293 3.125
53 2G5C NAD 0.002113 0.42095 3.20285
54 2HK9 ATR 0.006725 0.44807 3.27273
55 2HK9 NAP 0.01163 0.40087 3.27273
56 4PIV NDP 0.0000003847 0.56335 3.47222
57 4TQG NDP 0.0000003918 0.48021 3.47222
58 5MDH NAD 0.0002548 0.46371 3.47222
59 1EK6 NAI 0.000001821 0.45621 3.47222
60 1WDK NAD 0.001331 0.44707 3.47222
61 4MDH NAD 0.0007685 0.44421 3.47222
62 1GUZ NAD 0.0006482 0.44414 3.47222
63 1EK6 UPG 0.000003838 0.44015 3.47222
64 1O6Z NAD 0.002228 0.43417 3.47222
65 3A4T SFG 0.01239 0.40747 3.64964
66 5LPG 71V 0.03975 0.41104 3.65854
67 2FR1 NDP 0.0000001931 0.57006 3.81944
68 3A4V PYR 0.000002383 0.51265 3.81944
69 3A4V NAD 0.000002383 0.51265 3.81944
70 3ICS ADP 0.001389 0.47875 3.81944
71 3ICT ADP 0.002623 0.46466 3.81944
72 1V59 NAD 0.01061 0.43363 3.81944
73 1CER NAD 0.001679 0.4333 3.81944
74 1I2B NAD 0.01026 0.41034 3.81944
75 1I2B USQ 0.01026 0.41034 3.81944
76 1I2B UPG 0.01026 0.41034 3.81944
77 3A06 NDP 0.00278 0.40674 3.81944
78 3O7W SAM 0.032 0.40563 3.81944
79 1ZMD NAI 0.01057 0.40263 3.81944
80 3GGO NAI 0.001524 0.4012 3.81944
81 3GGO ENO 0.001524 0.4012 3.81944
82 3WV8 ATP 0.003225 0.44018 4.12844
83 2Q1W NAD 0.000001584 0.53097 4.16667
84 2V6G NAP 0.00001896 0.49775 4.16667
85 4GLL NAD 0.0000004254 0.48924 4.16667
86 2C29 NAP 0.00000207 0.48798 4.16667
87 2C29 DQH 0.00000523 0.475 4.16667
88 4J1Q NDP 0.000001422 0.46097 4.16667
89 3H8V ATP 0.001583 0.45828 4.16667
90 3VPH NAD 0.0003237 0.44413 4.16667
91 1HYH NAD 0.001318 0.42634 4.16667
92 3VPH OXM 0.00111 0.41908 4.16667
93 1MUU NAD 0.004345 0.41892 4.16667
94 1F8G NAD 0.009814 0.41198 4.16667
95 1L7E NAI 0.01223 0.40244 4.16667
96 1QH5 GBP 0.03998 0.41577 4.23077
97 1QH5 GSH 0.03952 0.41522 4.23077
98 5L95 AMP 0.00265 0.44411 4.30108
99 1P77 ATR 0.03231 0.41992 4.41176
100 3MJE NDP 0.0000001259 0.5873 4.43548
101 5CAE COA 0.004461 0.42125 4.47284
102 4HXY NDP 0.0000003169 0.56661 4.51389
103 4N9Z V3L 0.01064 0.44723 4.51389
104 2PV7 NAD 0.001682 0.43037 4.51389
105 1X87 NAD 0.008644 0.41162 4.51389
106 5KIQ SIA GAL NAG FUC 0.02643 0.42647 4.56853
107 5N53 8NB 0.03199 0.42036 4.61538
108 4JK3 NAD 0.004067 0.41739 4.6332
109 1WMA AB3 0.000006556 0.47181 4.71014
110 1WMA NDP 0.000006556 0.47181 4.71014
111 2D2I NAP 0.01306 0.40378 4.73684
112 3ORF NAD 0.000003028 0.53738 4.78088
113 2PK3 A2R 0.00003823 0.52882 4.86111
114 3V1Y NAD 0.0008649 0.44522 4.86111
115 3OA2 NAD 0.003148 0.41667 4.86111
116 1U1I NAD 0.001894 0.41291 4.86111
117 4RDH AMP 0.02658 0.4065 4.86111
118 3CH6 NAP 0.00000008754 0.56763 4.8951
119 3CH6 311 0.00000008754 0.56763 4.8951
120 5DA3 58V 0.02751 0.41592 4.90566
121 1ZQ9 SAM 0.006919 0.42818 4.91228
122 3GCZ SAM 0.005364 0.43338 4.96454
123 4D79 ATP 0.006838 0.42842 5.07246
124 1RPN NDP 0.00001883 0.48038 5.20833
125 4D3F NAP 0.001614 0.4468 5.20833
126 1N7G GDR 0.00001684 0.42405 5.20833
127 1X7D NAD 0.005829 0.40594 5.20833
128 4GKV NAD 0.003345 0.40376 5.20833
129 4YCA NDP 0.01012 0.40097 5.20833
130 3B20 NAD 0.008653 0.4089 5.30973
131 1XSE NDP 0.000000008023 0.5825 5.42373
132 4V03 ADP 0.02339 0.41251 5.44747
133 2Q46 NAP 0.0000008577 0.5593 5.5336
134 5IN4 NAP 0.0002675 0.48323 5.55556
135 5IN4 6CK 0.0002621 0.48323 5.55556
136 5IN4 GDP 0.0002892 0.48079 5.55556
137 1P31 EPU 0.02127 0.40516 5.55556
138 4K26 NDP 0.00000003317 0.6046 5.7971
139 4K26 SFF 0.00000007322 0.55401 5.7971
140 3WMX NAD 0.000003822 0.54257 5.90278
141 2YVJ NAI 0.006164 0.43054 5.90278
142 5E8J SAH 0.03074 0.40652 5.90278
143 5AJP UDP 0.02942 0.40432 5.90278
144 5X20 NAD 0.0108 0.40223 5.90278
145 2XVM SAH 0.03172 0.40582 6.03015
146 1ZBQ NAD 0.0000001256 0.57719 6.25
147 1GZ6 NAI 0.0000003954 0.56289 6.25
148 4EUE NAI 0.00009634 0.4671 6.25
149 1XI9 PLP 0.02641 0.42068 6.25
150 1EYQ NAR 0.03704 0.41271 6.30631
151 3A16 PXO 0.03557 0.40275 6.43432
152 4NYT PC 0.009064 0.41265 6.45161
153 2VT3 ATP 0.002213 0.46843 6.51163
154 1SW1 PBE 0.0348 0.41914 6.54545
155 1BXK NAD 0.000002478 0.54087 6.59722
156 2VYN NAD 0.002067 0.42398 6.59722
157 2GLX NDP 0.01141 0.40374 6.59722
158 1J49 NAD 0.007451 0.40166 6.59722
159 4U7W NDP 0.0000000613 0.61085 6.94444
160 1NVM NAD 0.003668 0.40909 6.94444
161 4BWL MN9 0.04824 0.41266 7.29167
162 5L4L NAP 0.0000008491 0.58043 7.63889
163 2X6T NAP 0.000000979 0.55224 7.63889
164 1EQ2 NAP 0.000001032 0.55133 7.63889
165 5L4L 7OX 0.00002527 0.47265 7.63889
166 1BW9 NAD 0.002164 0.44115 7.63889
167 1TI7 NAP 0.003313 0.43622 7.63889
168 1MV8 NAD 0.003397 0.42063 7.63889
169 1C1X NAD 0.004277 0.41649 7.63889
170 5JE8 NAD 0.001417 0.43941 7.98611
171 1OC2 TDX 0.000005573 0.43876 7.98611
172 1OC2 NAD 0.000005573 0.43876 7.98611
173 4NEC SAH 0.03273 0.40514 7.98611
174 4K28 NAD 0.006562 0.41137 8.17844
175 3RJ5 NAD 0.0000004609 0.53033 8.26772
176 1Y1P NMN AMP PO4 0.000001825 0.5717 8.33333
177 2DC1 NAD 0.001329 0.43453 8.47458
178 1LSS NAD 0.002039 0.44575 8.57143
179 4ZRN NAD 0.0000003161 0.55279 8.68056
180 4ZRN UPG 0.000003137 0.46253 8.68056
181 1VL0 NAI 0.00000233 0.44531 8.68056
182 1KYZ SAH 0.01852 0.41105 9.02778
183 2DBZ NAP 0.001674 0.42765 9.28144
184 2VUT NAD 0.003817 0.43344 9.30233
185 4PVD NDP 0.0000004189 0.58226 9.375
186 4J7U NAP 0.0000007819 0.51288 9.375
187 4J7U YTZ 0.0000007819 0.51288 9.375
188 1Z6Z NAP 0.000002418 0.46101 9.57447
189 1E5Q NDP 0.00166 0.4278 9.72222
190 1WP4 NDP 0.001657 0.43063 10.4167
191 4XH0 ADP 0.0226 0.42895 10.7639
192 1E3I CXF 0.003167 0.40034 10.7639
193 5MSO NAP 0.000001225 0.56299 11.1111
194 1GY8 NAD 0.000001583 0.53954 11.1111
195 1RKX NAD 0.000001029 0.54679 11.4583
196 5DN9 NAD 0.001306 0.42135 11.4583
197 1O94 ADP 0.01142 0.40372 11.7424
198 2B4R NAD 0.001228 0.42753 11.8056
199 5KKA 6V0 0.001159 0.42586 11.8056
200 2B4R AES 0.00272 0.41663 11.8056
201 3ABI NAD 0.001317 0.42904 12.5
202 1EJ0 SAM 0.02222 0.40426 12.7778
203 1PL6 NAD 0.0005574 0.47119 12.8472
204 1PL6 572 0.001635 0.42016 12.8472
205 3QV1 NAD 0.002148 0.43181 13.4146
206 1N5D NDP 0.000001047 0.5465 14.5833
207 2UYQ SAM 0.03019 0.4234 14.5833
208 2DT5 NAD 0.002162 0.4232 14.6919
209 3WXB NDP 0.0000004963 0.55906 15.0538
210 3O26 NDP 0.0000002796 0.57367 15.2778
211 5GT9 NAP 0.00000001198 0.62174 15.5894
212 4D42 NAP 0.000003115 0.50165 15.6028
213 4D42 W0I 0.000003115 0.50165 15.6028
214 4O1M NAD 0.00001808 0.43451 15.625
215 5L53 NAP 0.0000009261 0.59048 15.9722
216 5L4S NAP 0.0000004048 0.53626 15.9722
217 5L4S 6KX 0.0000004048 0.53626 15.9722
218 1FK8 NAD 0.000000003341 0.67602 16.3424
219 2PD4 DCN 0.00001962 0.44913 16.7273
220 2PD4 NAD 0.00002115 0.44795 16.7273
221 2OOR NAD 0.009183 0.41326 17.2414
222 2JAH NDP 0.0000001132 0.58393 17.8138
223 2DKN NAI 0.000000001158 0.6741 18.0392
224 2JAP NDP 0.00000004363 0.59999 18.6235
225 3OJF NDP 0.000009889 0.49388 19.0661
226 3OJF IMJ 0.00001104 0.47288 19.0661
227 4OHU NAD 0.00003584 0.41511 19.0972
228 4OHU 2TK 0.00003584 0.41511 19.0972
229 1H5Q NAP 0.000000002062 0.65136 20.3774
230 4ITU NAI 0.0000000208 0.60169 24.1636
231 4ITU 1HS 0.00000004009 0.54899 24.1636
232 4R1S NAP 0.000000167 0.59877 26.3889
233 1O5I NAD 0.00002582 0.53666 26.506
234 3O03 NAP 0.01826 0.40191 27.0833
235 4YAG NAI 0.00000005317 0.5449 27.4306
236 4Q9N NAI 0.0000078 0.44942 27.4306
237 4FC7 NAP 0.0000002109 0.53202 28.8809
238 4FC7 COA 0.0000002109 0.53202 28.8809
239 2AG5 NAD 0.0000007944 0.472 30.8943
240 1XG5 NAP 0.0000000534 0.59659 31.8996
241 2GDZ NAD 0.004779 0.40053 32.9588
242 2BD0 NAP 0.00000002012 0.60755 34.0164
243 5ITV NAI 0.000000003491 0.6425 34.1176
244 1W8D NAP 0.000000002946 0.68564 35.0993
245 1W73 NAP 0.00000000456 0.67752 35.0993
246 2CFC NAD 0.00000001316 0.63188 36
247 1W6U NAP 0.000000005428 0.67428 36.0927
248 1W6U HXC 0.008969 0.41372 36.0927
249 4O0L NDP 0.000000003515 0.64238 36.7273
250 5CG1 NAD BBN 0.00004288 0.4002 38.8889
251 1XKQ NDP 0.00000002715 0.59734 39.6429
252 3AFN NAP 0.000000004474 0.55235 40.3101
253 5THQ NDP 0.00000000103 0.55614 41.1765
254 3SJU NDP 0.00000005872 0.59499 41.2186
255 1IY8 NAD 0.000000007793 0.62898 41.9476
256 1YXM ADE 0.0001022 0.55469 42.0139
257 3VZS NAP 0.0000000105 0.55705 42.0233
258 3VZS CAA 0.0000000539 0.46426 42.0233
259 1E3W NAD 0.0000000283 0.61283 42.1456
260 1E6W NAD 0.00000002073 0.61815 42.3077
261 1QG6 TCL 0.00001555 0.46003 42.9119
262 1QG6 NAD 0.00001555 0.46003 42.9119
263 1JA9 NDP 0.01345 0.41346 43.0657
264 1NFQ NAI 0.00000001026 0.53568 43.0769
265 2Q2V NAD 0.000000004338 0.62728 43.1373
266 2DTX BMA 0.003078 0.41812 43.1818
267 1AE1 NAP 0.00000001012 0.54288 43.2234
268 1ZEM NAD 0.00000001329 0.64422 43.5115
269 4FN4 NAD 0.00000000527 0.64157 43.7008
270 2B4Q NAP 0.00000004273 0.60578 43.8406
271 5EPO NAP 0.0000008495 0.55466 43.8931
272 1U7T NAD 0.0000000348 0.62085 44.0613
273 1U7T TDT 0.000000009002 0.57635 44.0613
274 2WYV NAD 0.00001294 0.50809 44.0613
275 2AE2 NAP 0.000000006059 0.58664 44.2308
276 2AE2 PTO 0.000000006059 0.58664 44.2308
277 2ZAT NAP 0.0000001331 0.58635 44.2308
278 3NUG NAD 0.000000003532 0.6423 44.5344
279 3QWI NAP 0.000000002393 0.64283 45.1852
280 3QWI CUE 0.0000000241 0.56202 45.1852
281 3AI3 SOL 0.001903 0.48762 45.2471
282 2WSB NAD 0.00000004582 0.54933 45.2756
283 3AY6 NAI 0.00000002249 0.58074 45.3532
284 3AY6 BGC 0.0000002135 0.49251 45.3532
285 4OSP NAP 0.0000000002401 0.70143 45.6274
286 4OSP 2V4 0.008192 0.45284 45.6274
287 1VL8 NAP 0.0000000164 0.60558 46.0674
288 3OID NDP 0.0000000005221 0.58046 46.124
289 4ZA2 NAD 0.00000002307 0.62212 46.2451
290 4NBT NAD 0.00000001148 0.63424 46.25
291 4CQM NAP 0.00000001428 0.62452 46.3602
292 4NBW NAD 0.00000004202 0.61752 46.6926
293 4NBU NAI 0.000000005635 0.63444 46.8
294 4QED NAP 0.00000006837 0.59775 47.1774
295 1GEG NAD 0.000000008264 0.63388 47.2656
296 3A28 NAD 0.00000002037 0.61846 47.2868
297 1GEE NAD 0.000000007728 0.63502 47.8927
298 5T2U NAP 0.000000003195 0.63227 47.9839
299 3D3W NAP 0.00000002284 0.60017 49.1803
300 1PR9 NAP 0.005386 0.40243 49.1803
301 1Q7B NAP 0.000000008665 0.63307 49.5902
302 1EDO NAP 0.00441 0.43296 49.5902
Pocket No.: 3; Query (leader) PDB : 3H4V; 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: 3h4v.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3H4V; 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: 3h4v.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3H4V; Ligand: DVP; 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: 3h4v.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3H4V; Ligand: DVP; Similar sites found: 328
This union binding pocket(no: 6) in the query (biounit: 3h4v.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HDO NAP 0.00003921 0.47653 None
2 2BOS GLA GAL 0.01779 0.41 None
3 4CJX NAP 0.002992 0.42674 1.04167
4 1TZD ADP 0.009045 0.46135 1.09091
5 2I3G NAP 0.005308 0.40382 1.38889
6 3LU1 NAD 0.0000002561 0.57671 1.73611
7 2YY7 NAD 0.000004092 0.45303 1.73611
8 1KEW TYD 0.00000758 0.45137 1.73611
9 1KEW NAD 0.000009202 0.44571 1.73611
10 1X14 NAD 0.005424 0.43767 1.73611
11 3KB6 NAD 0.001384 0.43485 1.73611
12 4RQU NAD 0.001432 0.43139 1.73611
13 2XYQ SAH 0.01406 0.41457 1.73611
14 1KYQ NAD 0.003761 0.44531 1.82482
15 5F5N NAD 0.00003131 0.50607 2.08333
16 1EZ4 NAD 0.00119 0.44054 2.08333
17 5H81 NAP 0.003192 0.43465 2.08333
18 5U5G NAP 0.001725 0.42816 2.08333
19 5JJR SAH 0.01033 0.42091 2.08333
20 3L9W AMP 0.004382 0.40706 2.08333
21 2F1K NAP 0.0008577 0.44644 2.15054
22 2HJR APR 0.00008277 0.50079 2.43056
23 2C5A GDC 0.00000147 0.46055 2.43056
24 2C5A NAD 0.00000147 0.46055 2.43056
25 2DFV NAD 0.0005851 0.45012 2.43056
26 3OJO NAD 0.001652 0.444 2.43056
27 3GFB NAD 0.001039 0.43993 2.43056
28 4TXI FAD 0.001318 0.42478 2.43056
29 2Y6Q FAD 0.003276 0.40962 2.43056
30 4E5N NAD 0.004306 0.40736 2.43056
31 3I6I NDP 0.002048 0.40391 2.43056
32 3M89 GSP 0.04367 0.40275 2.43056
33 1YJQ NAP 0.004569 0.40186 2.43056
34 1VQW FAD 0.004987 0.40042 2.43056
35 5ULP KB1 0.00714 0.41343 2.61194
36 5D4V SAH 0.01128 0.4102 2.61194
37 1ORR NAD 0.0000001915 0.56702 2.77778
38 2CVQ NDP 0.0002879 0.45938 2.77778
39 5JAQ NAI 0.000109 0.44592 2.77778
40 2A92 NAI 0.0007606 0.43392 2.77778
41 3G2O SAM 0.006267 0.43115 2.77778
42 1U8X NAD 0.002101 0.43029 2.77778
43 1PZG A3D 0.0005418 0.42656 2.77778
44 2P41 SAH 0.008309 0.42537 2.77778
45 5AHO TLA 0.01612 0.42448 2.77778
46 1OMO NAD 0.006644 0.41478 2.77778
47 5UAV TFB 0.003794 0.40057 2.77778
48 3EVG SAH 0.004035 0.44017 2.90909
49 4BCQ TJF 0.0417 0.41075 3.05344
50 1VM6 NAD 0.007677 0.40944 3.07018
51 1R18 SAH 0.01493 0.40476 3.0837
52 2PZM UDP 0.000004568 0.48533 3.125
53 2PZM NAD 0.000004568 0.48533 3.125
54 2EXX NAP 0.0002712 0.44531 3.125
55 5LD5 NAD 0.002778 0.43414 3.125
56 1DJN ADP 0.006079 0.41925 3.125
57 3LKZ SFG 0.01127 0.41601 3.125
58 2BRY FAD 0.001943 0.41588 3.125
59 5THY SAH 0.0175 0.40434 3.125
60 2CVZ NDP 0.01001 0.4021 3.125
61 3GU3 SAH 0.04001 0.40812 3.16901
62 2G5C NAD 0.001794 0.42478 3.20285
63 2HK9 ATR 0.006092 0.45126 3.27273
64 2HK9 NAP 0.009081 0.40635 3.27273
65 2QIE 8CS 0.0246 0.40596 3.37838
66 4PIV NDP 0.0000003049 0.5688 3.47222
67 4TQG NDP 0.0000001584 0.48736 3.47222
68 5MDH NAD 0.00009011 0.48326 3.47222
69 1EK6 NAI 0.0000009191 0.46617 3.47222
70 4MDH NAD 0.0002535 0.46494 3.47222
71 1WDK NAD 0.0006861 0.46068 3.47222
72 1GUZ NAD 0.0003008 0.45861 3.47222
73 1EK6 UPG 0.000001439 0.45393 3.47222
74 1O6Z NAD 0.00124 0.44611 3.47222
75 3X01 AMP 0.03507 0.4202 3.56234
76 3A4T SFG 0.005897 0.42277 3.64964
77 1HPG BOC ALA ALA PRO GLU 0.02967 0.4115 3.74332
78 4YMH SAH 0.01369 0.40379 3.75
79 2FR1 NDP 0.0000000513 0.59367 3.81944
80 3A4V NAD 0.000001164 0.5253 3.81944
81 3A4V PYR 0.000001164 0.5253 3.81944
82 3ICS ADP 0.0009567 0.48807 3.81944
83 3ICT ADP 0.001612 0.47648 3.81944
84 1V59 NAD 0.008316 0.43998 3.81944
85 1CER NAD 0.001322 0.43864 3.81944
86 1I2B USQ 0.005712 0.41859 3.81944
87 1I2B UPG 0.005712 0.41859 3.81944
88 1I2B NAD 0.005712 0.41859 3.81944
89 3O7W SAM 0.01931 0.4176 3.81944
90 1ZMD NAI 0.005576 0.41531 3.81944
91 3GGO ENO 0.0007119 0.41335 3.81944
92 3GGO NAI 0.0007119 0.41335 3.81944
93 3A06 NDP 0.002061 0.41257 3.81944
94 3A06 FOM 0.002693 0.40387 3.81944
95 5F8F SFG 0.03351 0.40236 3.81944
96 2VDV SAM 0.03432 0.40494 4.06504
97 3WV8 ATP 0.003192 0.44137 4.12844
98 2Q1W NAD 0.000000678 0.54631 4.16667
99 2V6G NAP 0.0000105 0.50902 4.16667
100 4GLL NAD 0.00000008856 0.50491 4.16667
101 2C29 NAP 0.000001219 0.49828 4.16667
102 2C29 DQH 0.000003224 0.48458 4.16667
103 4J1Q NDP 0.0000003148 0.47446 4.16667
104 3H8V ATP 0.001208 0.46485 4.16667
105 3VPH NAD 0.000219 0.45166 4.16667
106 1HYH NAD 0.001103 0.4304 4.16667
107 3VPH OXM 0.0007516 0.42634 4.16667
108 1MUU NAD 0.005047 0.41714 4.16667
109 1L7E NAI 0.009174 0.40874 4.16667
110 2Q0L NAP 0.02526 0.40847 4.16667
111 4UCI SAM 0.02022 0.40421 4.16667
112 2VHW NAI 0.002772 0.40342 4.16667
113 1F8G NAD 0.01848 0.4006 4.16667
114 5L95 AMP 0.001879 0.45201 4.30108
115 1P77 ATR 0.0187 0.43398 4.41176
116 3MJE NDP 0.00000002754 0.61497 4.43548
117 2PX8 SAH 0.02412 0.40343 4.46097
118 5CAE COA 0.001539 0.44208 4.47284
119 4HXY NDP 0.00000006792 0.59416 4.51389
120 4N9Z V3L 0.006526 0.46112 4.51389
121 2PV7 NAD 0.0006034 0.44957 4.51389
122 1X87 NAD 0.006378 0.41834 4.51389
123 5FA5 MTA 0.02665 0.40731 4.51389
124 5MPT SAH 0.02124 0.40606 4.51389
125 5KIQ SIA GAL NAG FUC 0.02311 0.43078 4.56853
126 5N53 8NB 0.02852 0.42403 4.61538
127 4JK3 NAD 0.003598 0.42058 4.6332
128 1WMA NDP 0.00000294 0.48588 4.71014
129 1WMA AB3 0.00000294 0.48588 4.71014
130 2D2I NAP 0.009558 0.41064 4.73684
131 3ORF NAD 0.000001491 0.55114 4.78088
132 2PK3 A2R 0.00001061 0.55576 4.86111
133 3V1Y NAD 0.0005266 0.45522 4.86111
134 3OA2 NAD 0.0009578 0.43842 4.86111
135 1U1I NAD 0.001343 0.41949 4.86111
136 4RDH AMP 0.02319 0.41031 4.86111
137 3CH6 NAP 0.00000004259 0.57472 4.8951
138 3CH6 311 0.00000004259 0.57472 4.8951
139 5DA3 58V 0.02422 0.4197 4.90566
140 1ZQ9 SAM 0.007116 0.42855 4.91228
141 3GCZ SAM 0.003844 0.44116 4.96454
142 4D79 ATP 0.005707 0.43307 5.07246
143 1RPN NDP 0.000009065 0.49313 5.20833
144 4D3F NAP 0.001515 0.44906 5.20833
145 1N7G GDR 0.00001619 0.42678 5.20833
146 4YCA NDP 0.006774 0.40916 5.20833
147 4GKV NAD 0.002586 0.4089 5.20833
148 1X7D NAD 0.005653 0.40743 5.20833
149 3B20 NAD 0.006672 0.4147 5.30973
150 1XSE NDP 0.000000003288 0.59746 5.42373
151 4V03 ADP 0.02474 0.41215 5.44747
152 2Q46 NAP 0.0000002875 0.57982 5.5336
153 5IN4 NAP 0.0002738 0.48052 5.55556
154 5IN4 6CK 0.0002682 0.48052 5.55556
155 5IN4 GDP 0.0002784 0.47915 5.55556
156 4O48 ASP 0.04676 0.41335 5.55556
157 1P31 EPU 0.01558 0.41245 5.55556
158 1GQ2 NAP 0.00762 0.4022 5.55556
159 4K26 NDP 0.000000009727 0.62699 5.7971
160 4K26 SFF 0.00000002752 0.57032 5.7971
161 3WMX NAD 0.000002502 0.55158 5.90278
162 2YVJ NAI 0.003235 0.4447 5.90278
163 5E8J SAH 0.009877 0.43227 5.90278
164 5AJP UDP 0.01756 0.41628 5.90278
165 5X20 NAD 0.009197 0.40611 5.90278
166 2XVM SAH 0.02178 0.41496 6.03015
167 1ZBQ NAD 0.000000049 0.59443 6.25
168 1GZ6 NAI 0.0000001642 0.57925 6.25
169 4EUE NAI 0.00003553 0.48489 6.25
170 1XI9 PLP 0.02916 0.41922 6.25
171 1LUA NAP 0.01326 0.40984 6.27178
172 1EYQ NAR 0.0236 0.4242 6.30631
173 2VT3 ATP 0.001916 0.47264 6.51163
174 1SW1 PBE 0.03903 0.41644 6.54545
175 1BXK NAD 0.0000007777 0.56248 6.59722
176 2VYN NAD 0.001576 0.42973 6.59722
177 2GLX NDP 0.008726 0.40968 6.59722
178 4R5M NAP 0.006263 0.40563 6.59722
179 1J49 NAD 0.006712 0.40442 6.59722
180 4U7W NDP 0.00000002514 0.62827 6.94444
181 1NVM NAD 0.00328 0.41197 6.94444
182 1SQF SAM 0.02398 0.40356 6.94444
183 3A1S GDP 0.03159 0.41008 7.36434
184 5L4L NAP 0.0000002748 0.60292 7.63889
185 1EQ2 NAP 0.0000009537 0.55415 7.63889
186 2X6T NAP 0.0000009593 0.55405 7.63889
187 5L4L 7OX 0.00001028 0.48781 7.63889
188 1BW9 NAD 0.002292 0.44105 7.63889
189 1TI7 NAP 0.003282 0.4374 7.63889
190 1MV8 NAD 0.0025 0.42715 7.63889
191 1C1X NAD 0.00357 0.42072 7.63889
192 1OC2 NAD 0.000004153 0.44366 7.98611
193 1OC2 TDX 0.000004153 0.44366 7.98611
194 5JE8 NAD 0.001492 0.4395 7.98611
195 2YRX AMP 0.03917 0.41574 7.98611
196 4NEC SAH 0.03406 0.40201 7.98611
197 4K28 NAD 0.00601 0.41393 8.17844
198 3RJ5 NAD 0.0000002371 0.54196 8.26772
199 1Y1P NMN AMP PO4 0.0000009076 0.58638 8.33333
200 2DC1 NAD 0.0009952 0.4407 8.47458
201 1LSS NAD 0.001267 0.45613 8.57143
202 4ZRN NAD 0.00000009442 0.57382 8.68056
203 4ZRN UPG 0.000001061 0.47891 8.68056
204 1VL0 NAI 0.000001084 0.45051 8.68056
205 1KYZ SAH 0.01693 0.41383 9.02778
206 4FZV SAM 0.01573 0.40646 9.02778
207 2DBZ NAP 0.001782 0.42758 9.28144
208 2VUT NAD 0.004526 0.43106 9.30233
209 4PVD NDP 0.0000001504 0.60223 9.375
210 4J7U YTZ 0.0000002865 0.52389 9.375
211 4J7U NAP 0.0000002865 0.52389 9.375
212 1Z6Z NAP 0.0000008531 0.46742 9.57447
213 1E5Q NDP 0.001385 0.43198 9.72222
214 2IF8 ADP 0.04753 0.41139 10.1928
215 1WP4 NDP 0.001762 0.43057 10.4167
216 4XH0 ADP 0.0222 0.43032 10.7639
217 1E3I CXF 0.002495 0.40508 10.7639
218 4NON GDP 0.04719 0.40429 10.7692
219 5MSO NAP 0.0000006583 0.57563 11.1111
220 1GY8 NAD 0.0000003947 0.56443 11.1111
221 1RKX NAD 0.0000004777 0.56121 11.4583
222 5DN9 NAD 0.001281 0.42271 11.4583
223 1O94 ADP 0.007441 0.41266 11.7424
224 5KKA 6V0 0.0004294 0.44344 11.8056
225 2B4R NAD 0.0009238 0.43339 11.8056
226 2B4R AES 0.00234 0.42022 11.8056
227 3ABI NAD 0.0007821 0.43903 12.5
228 1EJ0 SAM 0.007124 0.42853 12.7778
229 1XXA ARG 0.04666 0.41184 12.8205
230 1PL6 NAD 0.0003937 0.47912 12.8472
231 1PL6 572 0.001033 0.42884 12.8472
232 3QV1 NAD 0.001732 0.43676 13.4146
233 1N5D NDP 0.0000004561 0.562 14.5833
234 2UYQ SAM 0.02732 0.42788 14.5833
235 2DT5 NAD 0.001435 0.43136 14.6919
236 3WXB NDP 0.0000001804 0.57766 15.0538
237 3O26 NDP 0.0000001111 0.59103 15.2778
238 5GT9 NAP 0.000000004692 0.6393 15.5894
239 4D42 W0I 0.000003393 0.4972 15.6028
240 4D42 NAP 0.000003393 0.4972 15.6028
241 4O1M NAD 0.00001573 0.43281 15.625
242 5L53 NAP 0.0000002316 0.6187 15.9722
243 5L4S NAP 0.0000001368 0.55453 15.9722
244 5L4S 6KX 0.0000001368 0.55453 15.9722
245 1FK8 NAD 0.000000001245 0.6959 16.3424
246 2PD4 DCN 0.00001894 0.44621 16.7273
247 2PD4 NAD 0.00002014 0.44503 16.7273
248 2OOR NAD 0.008339 0.41606 17.2414
249 2JAH NDP 0.00000004449 0.60131 17.8138
250 2DKN NAI 0.0000000003437 0.69714 18.0392
251 2JAP NDP 0.00000001794 0.61665 18.6235
252 3OJF NDP 0.00001027 0.49461 19.0661
253 3OJF IMJ 0.00001003 0.47561 19.0661
254 4OHU NAD 0.00003814 0.41577 19.0972
255 4OHU 2TK 0.00003814 0.41577 19.0972
256 1H5Q NAP 0.0000000007303 0.67072 20.3774
257 4ITU NAI 0.000000006408 0.62267 24.1636
258 4ITU 1HS 0.00000001521 0.56619 24.1636
259 4R1S NAP 0.00000006958 0.61611 26.3889
260 1O5I NAD 0.000006073 0.56694 26.506
261 4YAG NAI 0.00000001859 0.5633 27.4306
262 4Q9N NAI 0.000006175 0.44849 27.4306
263 4FC7 COA 0.0000002147 0.52804 28.8809
264 4FC7 NAP 0.0000002147 0.52804 28.8809
265 2AG5 NAD 0.0000002147 0.48365 30.8943
266 1XG5 NAP 0.00000002267 0.6127 31.8996
267 2GDZ NAD 0.002445 0.40908 32.9588
268 2BD0 NAP 0.00000000667 0.6276 34.0164
269 5ITV NAI 0.0000000007032 0.67136 34.1176
270 1W8D NAP 0.000000002403 0.69124 35.0993
271 1W73 NAP 0.000000003538 0.68403 35.0993
272 2CFC NAD 0.000000003775 0.65536 36
273 1W6U NAP 0.000000003722 0.68309 36.0927
274 1W6U HXC 0.007973 0.41693 36.0927
275 4O0L NDP 0.000000001208 0.66221 36.7273
276 5CG1 NAD BBN 0.00003621 0.4042 38.8889
277 1XKQ NDP 0.000000009976 0.61542 39.6429
278 3AFN NAP 0.000000001486 0.56072 40.3101
279 5THQ NDP 0.0000000003138 0.56463 41.1765
280 3SJU NDP 0.00000002653 0.61004 41.2186
281 1IY8 NAD 0.000000002869 0.64761 41.9476
282 1YXM ADE 0.0001081 0.5545 42.0139
283 3VZS NAP 0.00000000447 0.57212 42.0233
284 3VZS CAA 0.00000002344 0.47554 42.0233
285 1E3W NAD 0.000000007122 0.63818 42.1456
286 1E6W NAD 0.000000005003 0.64423 42.3077
287 1QG6 NAD 0.00001711 0.46103 42.9119
288 1QG6 TCL 0.00001711 0.46103 42.9119
289 1JA9 NDP 0.006595 0.42426 43.0657
290 1NFQ NAI 0.000000002405 0.54826 43.0769
291 2Q2V NAD 0.000000001095 0.65161 43.1373
292 2DTX BMA 0.0037 0.41335 43.1818
293 1AE1 NAP 0.000000003578 0.55027 43.2234
294 1ZEM NAD 0.000000004509 0.6654 43.5115
295 4FN4 NAD 0.000000001948 0.66042 43.7008
296 2B4Q NAP 0.0000000121 0.62908 43.8406
297 5EPO NAP 0.0000002839 0.57495 43.8931
298 1U7T NAD 0.000000008487 0.64751 44.0613
299 1U7T TDT 0.000000002391 0.59745 44.0613
300 2WYV NAD 0.00001161 0.51128 44.0613
301 2ZAT NAP 0.00000004537 0.60641 44.2308
302 2AE2 NAP 0.000000002134 0.60385 44.2308
303 2AE2 PTO 0.000000002134 0.60385 44.2308
304 3NUG NAD 0.0000000007982 0.66922 44.5344
305 3QWI NAP 0.0000000008383 0.6621 45.1852
306 3QWI CUE 0.000000009683 0.57703 45.1852
307 3AI3 SOL 0.001981 0.48768 45.2471
308 2WSB NAD 0.00000001914 0.55584 45.2756
309 3AY6 NAI 0.00000000877 0.59697 45.3532
310 3AY6 BGC 0.00000009613 0.50522 45.3532
311 4OSP NAP 0.0000000000613 0.72719 45.6274
312 4OSP 2V4 0.007673 0.45534 45.6274
313 1VL8 NAP 0.000000004823 0.62733 46.0674
314 3OID NDP 0.0000000001629 0.5887 46.124
315 4ZA2 NAD 0.000000006597 0.64563 46.2451
316 4NBT NAD 0.000000002225 0.66458 46.25
317 4CQM NAP 0.000000005926 0.64133 46.3602
318 4NBW NAD 0.00000000915 0.64618 46.6926
319 4NBU NAI 0.00000000134 0.66047 46.8
320 4QED NAP 0.00000002671 0.61549 47.1774
321 1GEG NAD 0.000000002593 0.65551 47.2656
322 3A28 NAD 0.000000003959 0.64825 47.2868
323 1GEE NAD 0.000000002366 0.65708 47.8927
324 5T2U NAP 0.0000000009048 0.65474 47.9839
325 3D3W NAP 0.00000001158 0.61297 49.1803
326 1PR9 NAP 0.00319 0.40888 49.1803
327 1Q7B NAP 0.000000002502 0.65612 49.5902
328 1EDO NAP 0.003176 0.43686 49.5902
Pocket No.: 7; Query (leader) PDB : 3H4V; 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: 3h4v.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3H4V; Ligand: DVP; 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: 3h4v.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3H4V; Ligand: DVP; Similar sites found: 5
This union binding pocket(no: 9) in the query (biounit: 3h4v.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Z44 NPO 0.008502 0.4332 3.81944
2 3H0A 9RA 0.009173 0.41369 5.26316
3 4DQL NAP 0.04674 0.40107 9.375
4 3V1U HXC 0.006017 0.41153 37.8472
5 1ZK4 NAP 0.002612 0.46415 48.6056
Pocket No.: 10; Query (leader) PDB : 3H4V; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3h4v.bio2) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3H4V; Ligand: DVP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3h4v.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3H4V; Ligand: NAP; Similar sites found: 48
This union binding pocket(no: 12) in the query (biounit: 3h4v.bio2) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2I3G NAP 0.002489 0.40166 1.38889
2 1E7S NAP 0.01355 0.40645 1.73611
3 4J36 FAD 0.001597 0.41649 2.43056
4 4J36 1HR 0.003745 0.41309 2.43056
5 1LDN NAD 0.0004201 0.43577 2.77778
6 3G2O SAM 0.005719 0.41975 2.77778
7 4MIG G3F 0.008373 0.40347 2.77778
8 3CIF NAD 0.0004318 0.43074 3.125
9 3CIF G3H 0.003459 0.40606 3.125
10 3LTW HLZ 0.04 0.40519 3.21429
11 1J0X NAD 0.001088 0.43439 3.47222
12 4XB2 HSE 0.001683 0.41431 3.47222
13 4XB2 NDP 0.000418 0.41359 3.47222
14 2NAD NAD 0.002392 0.41224 3.47222
15 3X01 AMP 0.04309 0.40351 3.56234
16 2GZ3 NAP 0.001253 0.43674 3.81944
17 1GET NAP 0.01144 0.40956 3.81944
18 4RF7 ARG 0.01572 0.42401 4.16667
19 4UCI SAM 0.0111 0.40359 4.16667
20 1NYT NAP 0.006008 0.40069 4.42804
21 2PX8 SAH 0.01488 0.4009 4.46097
22 4BG4 ARG 0.03802 0.40417 4.51389
23 1SC6 NAD 0.003494 0.40225 4.51389
24 4J4H 1J1 0.006149 0.4072 4.6332
25 4J4H NAI 0.006149 0.4072 4.6332
26 1JNR FAD 0.01757 0.40443 4.66667
27 2F5Z FAD 0.007769 0.40049 4.6875
28 4L8V NAP 0.001115 0.41832 4.86111
29 3NJ4 NAD 0.01869 0.41765 5.90278
30 3NJ4 AFX 0.01904 0.41729 5.90278
31 1HGX 5GP 0.03737 0.40161 6.01093
32 2O4C NAD 0.0008609 0.42399 6.59722
33 1E6E FAD 0.002025 0.4162 6.59722
34 2CDU FAD 0.005285 0.40008 6.59722
35 2AJH MET 0.03221 0.40951 6.63265
36 1DCP HBI 0.02536 0.40727 6.73077
37 4CNK FAD 0.003337 0.41002 6.94444
38 2WPB ZZI 0.03989 0.40397 6.94444
39 4FZV SAM 0.01127 0.40032 9.02778
40 4ZGS NAD 0.000318 0.42126 10.0694
41 2IF8 ADP 0.0364 0.40612 10.1928
42 3QX9 ATP 0.032 0.40888 10.8696
43 3CMC NAD 0.01072 0.40954 11.8056
44 2BGM NAJ 0.01704 0.42227 35.6115
45 1XHL NDP 0.00094 0.45521 36.1111
46 3V1U NAD 0.001362 0.43957 37.8472
47 3GEG NAD 0.001307 0.44347 40.8907
48 3U4C NDP 0.00204 0.43696 42.3488
Pocket No.: 13; Query (leader) PDB : 3H4V; Ligand: DVP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 3h4v.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 3H4V; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3h4v.bio2) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3H4V; Ligand: DVP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 3h4v.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 3H4V; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3h4v.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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