Receptor
PDB id Resolution Class Description Source Keywords
1U3U 1.6 Å EC: 1.1.1.1 CRYSTAL STRUCTURE OF HUMAN ALCOHOL DEHYDROGENASE BETA-1- BETA-1 ISOFORM COMPLEXED WITH N-BENZYLFORMAMIDE DETERMINED T O 1.6 ANGSTROM RESOLUTION HOMO SAPIENS OXIDOREDUCTASE
Ref.: STRUCTURE OF THREE CLASS I HUMAN ALCOHOL DEHYDROGENASES COMPLEXED WITH ISOENZYME SPECIFIC FORMAMIDE INHIBITORS BIOCHEMISTRY V. 43 12555 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BNF A:1378;
B:2378;
Valid;
Valid;
none;
none;
Ki = 0.33 uM
135.163 C8 H9 N O c1ccc...
NAD A:1377;
B:2377;
Valid;
Valid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
PO4 B:400;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
ZN A:375;
A:376;
B:375;
B:376;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U3U 1.6 Å EC: 1.1.1.1 CRYSTAL STRUCTURE OF HUMAN ALCOHOL DEHYDROGENASE BETA-1- BETA-1 ISOFORM COMPLEXED WITH N-BENZYLFORMAMIDE DETERMINED T O 1.6 ANGSTROM RESOLUTION HOMO SAPIENS OXIDOREDUCTASE
Ref.: STRUCTURE OF THREE CLASS I HUMAN ALCOHOL DEHYDROGENASES COMPLEXED WITH ISOENZYME SPECIFIC FORMAMIDE INHIBITORS BIOCHEMISTRY V. 43 12555 2004
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
2 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
3 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCC[C@@....
6 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
9 1HDX - CXL C6 H12 O C1CCC(CC1)....
10 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
12 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (62)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1E3I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1E3L - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1E3E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1JU9 Ki = 1640 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5VN1 Ki = 5.4 uM NWH C8 H17 N O CCCCC[C@H]....
6 2JHG - NAD IBO n/a n/a
7 1P1R Ki = 15 uM NMH C8 H17 N O CCCCC[C@@H....
8 1MG0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 2JHF Kd = 5 nM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1N8K - NAJ PZO n/a n/a
11 1QLH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 3OQ6 - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
13 3BTO Ki = 0.72 uM SSB C8 H16 O S CCCC[C@H]1....
14 4NFH - PFB C7 H3 F5 O C(c1c(c(c(....
15 5VL0 Ki = 0.74 uM BNF C8 H9 N O c1ccc(cc1)....
16 1BTO Ki = 0.31 uM SSB C8 H16 O S CCCC[C@H]1....
17 1LDE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 1N92 Ki = 0.02 uM NAJ PYZ n/a n/a
19 1QV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 4DWV Ki = 0.52 uM PFB C7 H3 F5 O C(c1c(c(c(....
21 1MGO Ki = 51 uM PFB C7 H3 F5 O C(c1c(c(c(....
22 1LDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 1HLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 1HET - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1HEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1AXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 5KCZ Kd = 15 uM NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
28 5KCP Ki = 740 uM PFB C7 H3 F5 O C(c1c(c(c(....
29 4NFS - ETF C2 H3 F3 O C(C(F)(F)F....
30 4NG5 Ki = 1.9 uM PFB C7 H3 F5 O C(c1c(c(c(....
31 1QV6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 5VKR Ki = 41 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
33 1EE2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 1A71 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 4DXH Ki = 8.4 uM ETF C2 H3 F3 O C(C(F)(F)F....
36 2OHX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 5VJG Kd = 0.31 mM 0BP C10 H8 N2 c1ccnc(c1)....
38 1AXE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 2OXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 1HF3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 1D1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 1D1S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 1CDO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1MP0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 2FZE - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
46 2FZW Kd = 0.076 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1M6W - 12H C12 H24 O3 C(CCCCCC(=....
48 1MA0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
50 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
51 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCC[C@@....
54 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
57 1HDX - CXL C6 H12 O C1CCC(CC1)....
58 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
60 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 4RQU Kd = 1.6 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 1P0F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (63)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1E3I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1E3L - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1E3E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1JU9 Ki = 1640 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5VN1 Ki = 5.4 uM NWH C8 H17 N O CCCCC[C@H]....
6 2JHG - NAD IBO n/a n/a
7 1P1R Ki = 15 uM NMH C8 H17 N O CCCCC[C@@H....
8 1MG0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 2JHF Kd = 5 nM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1N8K - NAJ PZO n/a n/a
11 1QLH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 3OQ6 - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
13 3BTO Ki = 0.72 uM SSB C8 H16 O S CCCC[C@H]1....
14 4NFH - PFB C7 H3 F5 O C(c1c(c(c(....
15 5VL0 Ki = 0.74 uM BNF C8 H9 N O c1ccc(cc1)....
16 1BTO Ki = 0.31 uM SSB C8 H16 O S CCCC[C@H]1....
17 1LDE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 1N92 Ki = 0.02 uM NAJ PYZ n/a n/a
19 1QV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 4DWV Ki = 0.52 uM PFB C7 H3 F5 O C(c1c(c(c(....
21 1MGO Ki = 51 uM PFB C7 H3 F5 O C(c1c(c(c(....
22 1LDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 1HLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 1HET - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1HEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1AXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 5KCZ Kd = 15 uM NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
28 5KCP Ki = 740 uM PFB C7 H3 F5 O C(c1c(c(c(....
29 4NFS - ETF C2 H3 F3 O C(C(F)(F)F....
30 4NG5 Ki = 1.9 uM PFB C7 H3 F5 O C(c1c(c(c(....
31 1QV6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 5VKR Ki = 41 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
33 1EE2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 1A71 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 4DXH Ki = 8.4 uM ETF C2 H3 F3 O C(C(F)(F)F....
36 2OHX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 5VJG Kd = 0.31 mM 0BP C10 H8 N2 c1ccnc(c1)....
38 1AXE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 2OXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 1HF3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 1D1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 1D1S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 1CDO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1MP0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 2FZE - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
46 2FZW Kd = 0.076 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1M6W - 12H C12 H24 O3 C(CCCCCC(=....
48 1MA0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
50 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
51 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCC[C@@....
54 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
57 1HDX - CXL C6 H12 O C1CCC(CC1)....
58 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
60 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 1F8F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 4RQU Kd = 1.6 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 1P0F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BNF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BNF 1 1
Ligand no: 2; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U3U; Ligand: BNF; Similar sites found: 339
This union binding pocket(no: 1) in the query (biounit: 1u3u.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CFC NAD 0.005657 0.40742 0.8
2 4XYB NDP 0.00009934 0.46152 1.06952
3 2NAD NAD 0.0002162 0.41227 1.06952
4 1DLJ UGA 0.00007659 0.41879 1.3369
5 1DLJ NAI 0.00008568 0.41732 1.3369
6 5U5G NAP 0.000005233 0.43938 1.35593
7 1DXY NAD 0.00001284 0.4179 1.5015
8 4R5M NAP 0.0007699 0.44223 1.60428
9 4R5M 4NO 0.0006516 0.43928 1.60428
10 2O4C NAD 0.0000139 0.43488 1.60428
11 4ZGS NAD 0.000003385 0.42786 1.60428
12 2GV8 NDP 0.005553 0.41813 1.60428
13 1VQW FAD 0.0023 0.41312 1.60428
14 2GV8 FAD 0.002058 0.41259 1.60428
15 2HJR APR 0.00002059 0.52718 1.82927
16 4ITU NAI 0.002862 0.40953 1.85874
17 2FR1 NDP 0.0004431 0.44291 1.87166
18 1A5Z NAD 0.00002693 0.52688 1.88088
19 4D3F NAP 0.000001693 0.42196 1.93548
20 3A28 NAD 0.003554 0.41303 1.93798
21 3WBF NAP 0.000005345 0.52888 1.96721
22 3WBF API 0.00001618 0.49434 1.96721
23 4MP8 NAD 0.000008005 0.46258 2.0649
24 1J49 NAD 0.0000136 0.42841 2.1021
25 1ZQ9 SAM 0.003409 0.44362 2.10526
26 2ZJ1 ARJ 0.000001188 0.47093 2.13904
27 2ZJ1 NAD 0.000001243 0.47018 2.13904
28 1LTH NAD 0.000002924 0.55886 2.19436
29 5T9F TYR 0.0003414 0.41124 2.21402
30 5T9F NAP 0.000395 0.40679 2.21402
31 2DVZ GLU 0.03346 0.41226 2.2293
32 3LRE ADP 0.03398 0.4139 2.25352
33 1GUZ NAD 0.000008926 0.43218 2.25806
34 1HYH NAD 0.000005062 0.52134 2.26537
35 4J4H 1J1 0.000003083 0.49494 2.3166
36 4J4H NAI 0.000003083 0.49494 2.3166
37 4JK3 NAD 0.0000001352 0.47603 2.3166
38 1W8D NAP 0.001157 0.4474 2.31788
39 1W73 NAP 0.001471 0.44292 2.31788
40 3KLJ FAD 0.001467 0.42049 2.33766
41 4KOA NDP 0.001582 0.46338 2.4024
42 2Q1W NAD 0.004146 0.40569 2.4024
43 4K5S FAD 0.000868 0.42909 2.40642
44 1P31 EPU 0.00946 0.42271 2.40642
45 3M6W SAM 0.01931 0.41424 2.40642
46 1UWK NAD 0.0007872 0.41286 2.40642
47 3CGD COA 0.00444 0.40722 2.40642
48 3CGD FAD 0.00444 0.40722 2.40642
49 3CGD NAD 0.00444 0.40722 2.40642
50 1UWK URO 0.0007872 0.40115 2.40642
51 1TB4 PEJ 0.0008295 0.43802 2.42588
52 1N5D NDP 0.003585 0.41046 2.43056
53 3FZG SAM 0.01564 0.41876 2.5
54 3SJU NDP 0.002879 0.41417 2.50896
55 3OA2 NAD 0.0004355 0.45216 2.51572
56 5KKA 6V0 0.00002871 0.42971 2.5641
57 1UXG NAD 0.00001794 0.4539 2.589
58 5A04 BGC 0.001291 0.41742 2.65487
59 5A04 NDP 0.0009992 0.41742 2.65487
60 1VI2 NAD 0.0001589 0.49261 2.66667
61 3GD4 NAD 0.00114 0.45105 2.6738
62 1K1Y MAL 0.02689 0.42461 2.6738
63 3FWN ATR 0.0001934 0.40846 2.6738
64 1RM0 NAI 0.0007933 0.40139 2.6738
65 3KB6 NAD 0.000004147 0.53781 2.69461
66 4YCA NDP 0.000121 0.48172 2.72109
67 1SAY PYR 0.00001033 0.44878 2.77008
68 1NPD NAD 0.0005283 0.46201 2.77778
69 1L1E SAH 0.01443 0.41403 2.78746
70 1EBF NAD 0.00002809 0.40449 2.7933
71 1F06 NDP 0.0001287 0.41559 2.8125
72 1F06 2NP 0.0001287 0.41559 2.8125
73 1X7D ORN 0.000002764 0.47752 2.85714
74 1X7D NAD 0.000001269 0.45891 2.85714
75 2B4Q NAP 0.005685 0.40495 2.89855
76 4JJF FE9 0.003648 0.41766 2.90698
77 4JJF N2I 0.003691 0.41238 2.90698
78 1F8G NAD 0.001685 0.447 2.94118
79 2RGJ FAD 0.001971 0.41565 2.94118
80 5KMS NAD 0.002374 0.40593 2.94118
81 4J36 FAD 0.0002717 0.4059 2.94118
82 1YJQ NAP 0.0001446 0.45846 2.9703
83 2GZ3 NAP 0.0002277 0.43402 3.00546
84 4XYM COA 0.001204 0.40144 3.04348
85 1TE2 PGA 0.03879 0.41915 3.09735
86 4MDB RLT 0.009376 0.44559 3.11111
87 1GQ2 NAP 0.00002012 0.50577 3.20856
88 4XQC NAD 0.00002967 0.45827 3.20856
89 2IXB NAD 0.000333 0.45063 3.20856
90 1LJ8 NAD 0.001499 0.44926 3.20856
91 4XQC 13D 0.00006288 0.44856 3.20856
92 2GSD NAD 0.000188 0.44838 3.20856
93 1M2W NAD 0.002145 0.43904 3.20856
94 5VN0 NAI 0.002131 0.43003 3.20856
95 2IXB A2G 0.0003756 0.42975 3.20856
96 1QMG APX 0.00578 0.42021 3.20856
97 5CAE SIN 0.0001834 0.4076 3.20856
98 3NGL NAP 0.0001429 0.49905 3.26087
99 1GR0 NAD 0.0001226 0.41536 3.26975
100 2HK9 NAP 0.00001155 0.42379 3.27273
101 1CER NAD 0.00009332 0.4864 3.32326
102 2YGM GLA NAG GAL FUC 0.03839 0.41271 3.38983
103 2CUL FAD 0.003609 0.40137 3.44828
104 1D6Z HY1 0.04652 0.40666 3.47594
105 3ICC NAP 0.004975 0.40265 3.52941
106 2C29 NAP 0.00264 0.42073 3.56083
107 4INW 1EY 0.01856 0.41189 3.57143
108 1Z82 NDP 0.00115 0.43814 3.58209
109 2GLX NDP 0.002439 0.43349 3.61446
110 1HKU NAD 0.00001025 0.50942 3.63128
111 1B8U OAA 0.0001279 0.40919 3.64742
112 1OBB NAD 0.0001496 0.48553 3.74332
113 1ZMD NAI 0.0005433 0.45801 3.74332
114 1VKO NAD 0.001696 0.42058 3.74332
115 1V9A SAH 0.01404 0.42108 3.76569
116 1JAY NAP 0.0007839 0.46178 3.77358
117 1H5Q NAP 0.003307 0.41183 3.77358
118 1NVT NAP 0.00001899 0.41018 3.83275
119 3WMX NAD 0.00797 0.40622 3.91061
120 1E5Q NDP 0.000022 0.50421 4.01069
121 1U8X NAD 0.000567 0.45389 4.01069
122 2BH9 NAP 0.003572 0.45031 4.01069
123 1SC6 NAD 0.0000402 0.42405 4.01069
124 1GY8 NAD 0.004579 0.40632 4.01069
125 1Z45 NAD 0.00736 0.40051 4.01069
126 5O4J 9KH 0.0002647 0.40559 4.0146
127 5O4J SAH 0.0002647 0.40559 4.0146
128 1T26 NAI 0.0001844 0.4307 4.03727
129 2BD0 NAP 0.002095 0.41706 4.09836
130 5N53 8NB 0.04057 0.41729 4.10256
131 3LU1 NAD 0.005252 0.404 4.12088
132 1GV0 NAD 0.00001636 0.42948 4.19355
133 2GCG NDP 0.0000529 0.48891 4.24242
134 2GCG DGY 0.04411 0.40787 4.24242
135 2YVF FAD 0.001099 0.41912 4.27807
136 2YVF NAD 0.001155 0.41912 4.27807
137 2DKN NAI 0.005187 0.40893 4.31373
138 1EZ4 NAD 0.00000138 0.44382 4.40252
139 3D3W NAP 0.002352 0.41275 4.5082
140 4RDH AMP 0.0002095 0.51067 4.51389
141 1J0X NAD 0.0002833 0.42562 4.51807
142 4A0S NAP 0.000003875 0.52586 4.54545
143 1LVL NAD 0.0003661 0.48055 4.54545
144 2I3G NAP 0.0001815 0.46088 4.54545
145 3SSO SAH 0.02047 0.40123 4.54545
146 5UAV NDP 0.00001742 0.44832 4.65839
147 5UAV TFB 0.00001742 0.44832 4.65839
148 2PV7 NAD 0.0001312 0.47661 4.69799
149 2Q46 NAP 0.01312 0.40204 4.74308
150 4NBU NAI 0.002152 0.41909 4.8
151 1DSS NAD 0.00002017 0.41129 4.8048
152 1Y8Q ATP 0.0006977 0.45683 4.81283
153 1U1I NAD 0.0008677 0.42654 4.81283
154 5U8U FAD 0.00229 0.41077 4.81283
155 1SOW NAD 0.00002678 0.42999 4.87805
156 3H9E NAD 0.00008617 0.48783 4.91329
157 3GDH SAH 0.01377 0.40113 4.97925
158 4DPL NAP 0.0005333 0.4456 5.01393
159 1XG5 NAP 0.003206 0.41235 5.01792
160 1BDB NAD 0.001901 0.41624 5.05415
161 2CVZ NDP 0.00001798 0.51606 5.19031
162 4CQM NAP 0.0009558 0.43559 5.32787
163 2IZ1 ATR 0.00002208 0.6011 5.34759
164 1MUU NAD 0.00000682 0.53821 5.34759
165 2VHW NAI 0.000002503 0.47348 5.34759
166 1MV8 NAD 0.000002311 0.43618 5.34759
167 2QA1 FAD 0.000878 0.42387 5.34759
168 5GUD NDP 0.0006035 0.42022 5.34759
169 5GUD 2IT 0.001861 0.4075 5.34759
170 1V6A TRE 0.0002193 0.54367 5.42169
171 3O5X JZG 0.04537 0.40189 5.43478
172 1LDM NAD 0.000007615 0.51851 5.47112
173 2YN4 39J 0.0427 0.41434 5.50847
174 1WP4 NDP 0.000004946 0.53469 5.53633
175 1O6Z NAD 0.00003203 0.40254 5.61056
176 3NJ4 AFX 0.00004661 0.49701 5.61497
177 3NJ4 NAD 0.00004661 0.49701 5.61497
178 5TUF FAD 0.00304 0.41086 5.61497
179 1WDK NAD 0.00001994 0.40145 5.61497
180 4CJX NAP 0.00001395 0.41443 5.64263
181 3BAZ NAP 0.000002553 0.55621 5.70571
182 5DN9 NAD 0.00003036 0.43275 5.76923
183 3EGI ADP 0.01387 0.44115 5.82524
184 4OOE NDP 0.00261 0.42638 5.88235
185 1NYT NAP 0.00003187 0.50997 5.90406
186 1I0Z NAI 0.000008395 0.51683 6.00601
187 9LDB NAD 0.000002942 0.53051 6.0241
188 9LDT NAD 0.00000259 0.45233 6.0241
189 3G89 SAM 0.01845 0.4186 6.0241
190 3ABI NAD 0.0000003193 0.57293 6.0274
191 2OHV NHL 0.03456 0.4152 6.06061
192 4RL4 PPV 0.008637 0.45618 6.13208
193 2X3N FAD 0.001806 0.40796 6.14973
194 4IF4 BEF 0.018 0.43133 6.25
195 4K28 NAD 0.000001254 0.56923 6.3197
196 4ZVV NAD 0.000008538 0.42122 6.3253
197 4ZVV GN0 0.000008538 0.42122 6.3253
198 3LZW FAD 0.001593 0.40774 6.3253
199 2VYN NAD 0.00001484 0.42656 6.34441
200 1IY8 NAD 0.005105 0.40448 6.36704
201 3CIF NAD 0.00001768 0.42455 6.40669
202 3CIF G3H 0.0001587 0.41572 6.40669
203 5M67 ADE 0.000002842 0.49862 6.41711
204 5M67 NAD 0.000003049 0.49758 6.41711
205 5M67 3D1 0.000003152 0.49709 6.41711
206 3M89 GSP 0.01351 0.42915 6.41711
207 2YVJ NAI 0.0001035 0.51504 6.42202
208 3CBG SAH 0.008563 0.42812 6.46552
209 3V1Y NAD 0.00003197 0.50569 6.52819
210 1N1G BCP 0.0004204 0.40232 6.55738
211 4BVA T3 0.00003847 0.44296 6.56716
212 4BVA NDP 0.000009343 0.44023 6.56716
213 1YRX FMN 0.03065 0.40744 6.61157
214 1P77 ATR 0.000003268 0.64042 6.61765
215 2B4R NAD 0.00002728 0.49289 6.66667
216 2B4R AES 0.00007934 0.4783 6.66667
217 1ZBQ NAD 0.005622 0.40061 6.72783
218 1BW9 NAD 0.000002269 0.57464 6.74157
219 1BXG NAD 0.000004679 0.43391 6.74157
220 1C1X NAD 0.000002223 0.55371 6.76056
221 2F1K NAP 0.000008766 0.529 6.81004
222 1OMO NAD 0.000002809 0.4323 6.8323
223 3B1F NAD 0.0000009353 0.59175 6.89655
224 1KYQ NAD 0.00005582 0.53309 6.93431
225 3JQA NAP 0.007577 0.40468 6.94444
226 4CMI NAP 0.006681 0.4045 6.94444
227 3JQB NAP 0.007931 0.40386 6.94444
228 3BMO NAP 0.007204 0.40319 6.94444
229 3JQF NAP 0.006947 0.4015 6.94444
230 3BMQ NAP 0.006994 0.40139 6.94444
231 4CM8 NAP 0.008014 0.40132 6.94444
232 3JQG NAP 0.009229 0.40117 6.94444
233 5JCJ NAP 0.008139 0.40105 6.94444
234 1V8B NAD 0.0000006236 0.49334 6.95187
235 1X14 NAD 0.002198 0.45652 6.95187
236 1RYD NDP 0.0008606 0.41941 6.95187
237 2FKA BEF 0.0149 0.44242 6.97674
238 2CVQ NDP 0.00002984 0.4989 7.03364
239 4MDH NAD 0.0000438 0.49605 7.18563
240 5MDH NAD 0.00004755 0.40819 7.20721
241 2IVD FAD 0.002815 0.40318 7.21925
242 1HDG NAD 0.0004323 0.4622 7.22892
243 2WZM NA7 0.003737 0.43821 7.42049
244 5AYV KPL 0.000331 0.40647 7.44337
245 2G5C NAD 0.00003146 0.42089 7.47331
246 2ZB4 5OP 0.00004664 0.44114 7.48663
247 2ZB4 NAP 0.00005942 0.43502 7.48663
248 4PLT OXM 0.000134 0.40492 7.55287
249 4PLT NAI 0.0001028 0.40366 7.55287
250 1O94 ADP 0.00008991 0.49502 7.57576
251 2DC1 NAD 0.00003081 0.41323 7.62712
252 2YX1 SFG 0.03314 0.40571 7.7381
253 2QRK AMP 0.0003828 0.4113 7.75401
254 3DXY SAM 0.03775 0.40605 7.79817
255 3GGO ENO 0.00001747 0.46215 7.96178
256 3GGO NAI 0.00001747 0.46215 7.96178
257 3OND ADN 0.000003247 0.49543 8.02139
258 3OND NAD 0.000003247 0.46908 8.02139
259 2NU8 COA 0.00005512 0.49588 8.33333
260 2WW4 ADP 0.02494 0.4154 8.48057
261 4NBT NAD 0.007107 0.40342 8.75
262 4E5N NAD 0.00002111 0.49722 8.78788
263 1DIG NAP 0.0001575 0.46012 8.82353
264 1DIG L37 0.0001516 0.45769 8.82353
265 3OJO NAD 0.000005556 0.41436 8.82353
266 3WXB NDP 0.005027 0.40474 8.96057
267 2DBZ NAP 0.000003115 0.45005 8.98204
268 2Q0L NAP 0.0004035 0.49672 9.00322
269 3VPH OXM 0.000009543 0.49578 9.35484
270 3VPH NAD 0.00002813 0.48528 9.35484
271 4FN4 NAD 0.001514 0.42769 9.44882
272 2EWM NAD 0.0009395 0.4331 9.63855
273 5JE8 NAD 0.00000348 0.55054 9.93377
274 1U7T NAD 0.004116 0.41552 9.96169
275 3RC1 TLO 0.004028 0.40174 10
276 2OOR NAD 0.00177 0.44605 10.3448
277 2B5W NAP 0.0000001058 0.56737 10.3641
278 2A92 NAI 0.0001355 0.41074 10.9034
279 4RVU NDP 0.0001045 0.42289 11.4458
280 4XB2 HSE 0.0001714 0.40892 11.6418
281 2NXE SAM 0.003394 0.44371 11.811
282 1J5P NAD 0.0000588 0.49083 11.8577
283 1E3W NAD 0.001091 0.43332 11.8774
284 1E6W NAD 0.003266 0.41449 11.9231
285 4II2 ATP 0.0007489 0.46648 12.0482
286 4WAS NAP 0.0002438 0.41468 12.0879
287 4WAS COO 0.0004039 0.40618 12.0879
288 1NVM NAD 0.00002501 0.49436 12.1739
289 1O0S NAI 0.0001873 0.4853 12.2995
290 2DT5 NAD 0.00000392 0.53428 12.3223
291 2ZB3 NDP 0.000091 0.40998 12.4646
292 3H0L ADP 0.03067 0.41427 12.766
293 2JAP NDP 0.003048 0.41321 13.3603
294 5MQ6 NDP 0.001854 0.44181 13.369
295 2H88 TEO 0.03547 0.41458 13.5922
296 1H5T TYD 0.03376 0.40858 13.6519
297 4O0L NDP 0.001304 0.42756 13.8182
298 2EV9 NAP 0.00005554 0.42263 14.0684
299 2EV9 SKM 0.00005554 0.42263 14.0684
300 2J8Z NAP 0.00001411 0.43137 14.6893
301 1C3V NDP 0.000039 0.48685 14.6939
302 5GZ6 NDP 0.000142 0.49918 14.7239
303 5GZ6 7C3 0.0001777 0.4863 14.7239
304 4PLG NAI 0.00005225 0.43715 14.9701
305 1VL8 NAP 0.001146 0.42453 14.9813
306 1PZG A3D 0.00004591 0.46469 15.71
307 2CDC XYP 0.0000145 0.48857 16.1202
308 2CDC XYS 0.00001785 0.48537 16.1202
309 2CDC NAP 0.00001785 0.48537 16.1202
310 1LDN NAD 0.00000874 0.43907 16.7722
311 1GEG NAD 0.001862 0.42414 16.7969
312 3FGZ BEF 0.03325 0.42164 17.1875
313 1L5Y BEF 0.02919 0.4152 19.3548
314 4B7X NAP 0.00001314 0.49775 19.6429
315 2DM6 NAP 0.0000131 0.48086 20.4204
316 2DM6 IMN 0.000012 0.47905 20.4204
317 5VKT NAP 0.000000001806 0.54589 22.3757
318 3EGV SAH 0.01444 0.41716 23.1293
319 1GEE NAD 0.007242 0.40079 23.3716
320 5DOZ NDP 0.00008216 0.46772 25.4438
321 3QV1 NAD 0.005975 0.40646 25.6098
322 1KOL NAD 0.000000005513 0.55638 25.6684
323 3QWB NDP 0.00009764 0.47135 29.0419
324 1KEV NDP 0.0000002354 0.55908 29.6296
325 3JYN NDP 0.000125 0.41623 30.4615
326 5KQA GSH 0.03436 0.42006 31.0606
327 1YQD NAP 0.000000002221 0.64003 33.3333
328 5FI3 NAP 0.00000002424 0.5147 33.8936
329 5H81 NAP 0.000000328 0.61198 37.7005
330 1YB5 NAP 0.00002087 0.44142 37.9679
331 3TWO NDP 0.0000000004294 0.65494 39.0805
332 4IDC 1XX 0.00005219 0.42657 39.1566
333 4IDC NDP 0.00005219 0.42657 39.1566
334 1PL6 572 0.00000003917 0.51384 42.6966
335 1PL6 NAD 0.000000002515 0.49133 42.6966
336 1YKF NAP 0.0000002805 0.57515 43.4659
337 3B1J NAD 0.0003502 0.45282 44
338 2DFV NAD 0.00000004952 0.49288 44.9568
339 3GFB NAD 0.00000006577 0.61123 45.7143
Pocket No.: 2; Query (leader) PDB : 1U3U; Ligand: NAD; Similar sites found: 231
This union binding pocket(no: 2) in the query (biounit: 1u3u.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4XYB NDP 0.00009934 0.46152 1.06952
2 2NAD NAD 0.0002162 0.41227 1.06952
3 5U5G NAP 0.000005233 0.43938 1.35593
4 2O4C NAD 0.0000139 0.43488 1.60428
5 4ZGS NAD 0.000003385 0.42786 1.60428
6 2GV8 NDP 0.005553 0.41813 1.60428
7 2GV8 FAD 0.002058 0.41259 1.60428
8 2HJR APR 0.00002059 0.40239 1.82927
9 2FR1 NDP 0.0004431 0.44291 1.87166
10 4D3F NAP 0.000001693 0.42196 1.93548
11 3A28 NAD 0.003554 0.41303 1.93798
12 1J49 NAD 0.0000136 0.42841 2.1021
13 2ZJ1 ARJ 0.000001188 0.47093 2.13904
14 2ZJ1 NAD 0.000001243 0.47018 2.13904
15 5T9F TYR 0.0003414 0.41124 2.21402
16 5T9F NAP 0.000395 0.40679 2.21402
17 3LRE ADP 0.03398 0.4139 2.25352
18 1GUZ NAD 0.000008926 0.43218 2.25806
19 1HYH NAD 0.000005051 0.52138 2.26537
20 4J4H NAI 0.000003083 0.49494 2.3166
21 4J4H 1J1 0.000003083 0.49494 2.3166
22 4JK3 NAD 0.0000001352 0.47603 2.3166
23 1W73 NAP 0.001471 0.44292 2.31788
24 1P31 EPU 0.00946 0.42271 2.40642
25 1UWK URO 0.0007872 0.41286 2.40642
26 1UWK NAD 0.0007872 0.41286 2.40642
27 3CGD COA 0.00444 0.40722 2.40642
28 3CGD FAD 0.00444 0.40722 2.40642
29 3CGD NAD 0.00444 0.40722 2.40642
30 3SJU NDP 0.002879 0.41417 2.50896
31 3OA2 NAD 0.0004355 0.45216 2.51572
32 5KKA 6V0 0.00002871 0.42971 2.5641
33 5A04 NDP 0.0009992 0.41742 2.65487
34 5A04 BGC 0.001291 0.41742 2.65487
35 3GD4 NAD 0.00114 0.45105 2.6738
36 4EDF UPG 0.001142 0.40933 2.6738
37 3FWN ATR 0.0001934 0.40846 2.6738
38 3KB6 NAD 0.000004147 0.53781 2.69461
39 4YCA NDP 0.000121 0.48172 2.72109
40 1NPD NAD 0.0005283 0.46201 2.77778
41 1L1E SAH 0.01443 0.41403 2.78746
42 1EBF NAD 0.00002809 0.40449 2.7933
43 1F06 NDP 0.0001287 0.41559 2.8125
44 1F06 2NP 0.0001287 0.41559 2.8125
45 1X7D ORN 0.000002764 0.47752 2.85714
46 1X7D NAD 0.000001269 0.45891 2.85714
47 1F8G NAD 0.001685 0.447 2.94118
48 2RGJ FAD 0.001971 0.41565 2.94118
49 5KMS NAD 0.002374 0.40593 2.94118
50 4J36 FAD 0.0002717 0.4059 2.94118
51 1YJQ NAP 0.0001446 0.40913 2.9703
52 2GZ3 NAP 0.0002277 0.43402 3.00546
53 4XYM COA 0.001204 0.40144 3.04348
54 1TE2 PGA 0.03879 0.41915 3.09735
55 4XQC NAD 0.00002967 0.45827 3.20856
56 1LJ8 NAD 0.001499 0.44926 3.20856
57 4XQC 13D 0.00006288 0.44856 3.20856
58 1M2W NAD 0.002145 0.43904 3.20856
59 5VN0 NAI 0.002131 0.43003 3.20856
60 1GQ2 NAP 0.00002012 0.42706 3.20856
61 1QMG APX 0.00578 0.42021 3.20856
62 5CAE SIN 0.0001834 0.4076 3.20856
63 3NGL NAP 0.0001429 0.49905 3.26087
64 2HK9 NAP 0.00001155 0.42379 3.27273
65 1CER NAD 0.00009332 0.4864 3.32326
66 2YGM GLA NAG GAL FUC 0.03839 0.41271 3.38983
67 2C29 NAP 0.00264 0.42073 3.56083
68 4INW 1EY 0.01856 0.41189 3.57143
69 1Z82 NDP 0.00115 0.43814 3.58209
70 1OBB NAD 0.0001496 0.48553 3.74332
71 1V9A SAH 0.01404 0.42108 3.76569
72 1H5Q NAP 0.003307 0.41183 3.77358
73 1NVT NAP 0.00001899 0.41018 3.83275
74 3WMX NAD 0.00797 0.40622 3.91061
75 1E5Q NDP 0.000022 0.50421 4.01069
76 1U8X NAD 0.000567 0.45389 4.01069
77 1SC6 NAD 0.0000402 0.42405 4.01069
78 5O4J SAH 0.0002647 0.40559 4.0146
79 5O4J 9KH 0.0002647 0.40559 4.0146
80 5N53 8NB 0.04057 0.41729 4.10256
81 3LU1 NAD 0.005252 0.404 4.12088
82 2GCG NDP 0.0000529 0.41658 4.24242
83 1EZ4 NAD 0.00000138 0.44382 4.40252
84 4RDH AMP 0.0002095 0.51067 4.51389
85 1J0X NAD 0.0002833 0.42562 4.51807
86 4A0S NAP 0.000003875 0.52586 4.54545
87 2I3G NAP 0.0001815 0.46088 4.54545
88 5UAV NDP 0.00001742 0.44832 4.65839
89 5UAV TFB 0.00001742 0.44832 4.65839
90 2PV7 NAD 0.0001312 0.47661 4.69799
91 2Q46 NAP 0.01312 0.40204 4.74308
92 1Y8Q ATP 0.0006977 0.45683 4.81283
93 5U8U FAD 0.00229 0.41077 4.81283
94 3GDH SAH 0.01377 0.40113 4.97925
95 4DPL NAP 0.0005333 0.4456 5.01393
96 2CVZ NDP 0.00001798 0.51606 5.19031
97 4CQM NAP 0.0009558 0.43559 5.32787
98 1MUU NAD 0.00000682 0.53821 5.34759
99 2VHW NAI 0.000002503 0.47348 5.34759
100 1MV8 NAD 0.000002311 0.43618 5.34759
101 5GUD NDP 0.0006035 0.42022 5.34759
102 5GUD 2IT 0.001861 0.4075 5.34759
103 3O5X JZG 0.04537 0.40189 5.43478
104 2YN4 39J 0.0427 0.41434 5.50847
105 1WP4 NDP 0.000004946 0.43799 5.53633
106 1O6Z NAD 0.00003203 0.40254 5.61056
107 3NJ4 NAD 0.00004661 0.49701 5.61497
108 3NJ4 AFX 0.00004661 0.49701 5.61497
109 5TUF FAD 0.00304 0.41086 5.61497
110 1WDK NAD 0.00001994 0.40145 5.61497
111 4CJX NAP 0.00001395 0.41443 5.64263
112 5DN9 NAD 0.00003036 0.43275 5.76923
113 3EGI ADP 0.01387 0.44115 5.82524
114 4OOE NDP 0.00261 0.42638 5.88235
115 1NYT NAP 0.00003187 0.50997 5.90406
116 3ABI NAD 0.0000003193 0.47914 6.0274
117 4RL4 PPV 0.008637 0.45618 6.13208
118 2X3N FAD 0.001806 0.40796 6.14973
119 4K28 NAD 0.000001254 0.56923 6.3197
120 4ZVV GN0 0.000008538 0.42122 6.3253
121 4ZVV NAD 0.000008538 0.42122 6.3253
122 2VYN NAD 0.00001484 0.42656 6.34441
123 3CIF NAD 0.00001768 0.42455 6.40669
124 3CIF G3H 0.0001587 0.41572 6.40669
125 5M67 ADE 0.000002842 0.49862 6.41711
126 5M67 NAD 0.000003049 0.49758 6.41711
127 5M67 3D1 0.000003152 0.49709 6.41711
128 3HAD NAD 0.000909 0.41362 6.49351
129 3V1Y NAD 0.00003197 0.50569 6.52819
130 4BVA T3 0.00003847 0.44296 6.56716
131 4BVA NDP 0.000009343 0.44023 6.56716
132 1P77 ATR 0.000003268 0.64042 6.61765
133 2B4R NAD 0.00002728 0.4267 6.66667
134 2B4R AES 0.00007934 0.40956 6.66667
135 1ZBQ NAD 0.005622 0.40061 6.72783
136 1BXG NAD 0.000004679 0.43391 6.74157
137 1BW9 NAD 0.000002269 0.42078 6.74157
138 1C1X NAD 0.000002223 0.44219 6.76056
139 2F1K NAP 0.000008766 0.42396 6.81004
140 1OMO NAD 0.000002809 0.4323 6.8323
141 1KYQ NAD 0.00005582 0.53309 6.93431
142 4CMI NAP 0.006681 0.4045 6.94444
143 3JQB NAP 0.007931 0.40386 6.94444
144 4CM8 NAP 0.008014 0.40132 6.94444
145 3JQG NAP 0.009229 0.40117 6.94444
146 5JCJ NAP 0.008139 0.40105 6.94444
147 1V8B NAD 0.0000006236 0.49334 6.95187
148 1X14 NAD 0.002198 0.45652 6.95187
149 2FKA BEF 0.0149 0.44242 6.97674
150 2CVQ NDP 0.00002984 0.4989 7.03364
151 4MDH NAD 0.0000438 0.40959 7.18563
152 5MDH NAD 0.00004755 0.40819 7.20721
153 2IVD FAD 0.002815 0.40318 7.21925
154 2WZM NA7 0.003737 0.43821 7.42049
155 5AYV KPL 0.000331 0.40647 7.44337
156 2G5C NAD 0.00003146 0.42089 7.47331
157 2ZB4 5OP 0.00004664 0.44114 7.48663
158 2ZB4 NAP 0.00005942 0.43502 7.48663
159 4PLT OXM 0.000134 0.40492 7.55287
160 4PLT NAI 0.0001028 0.40366 7.55287
161 2DC1 NAD 0.00003081 0.41323 7.62712
162 2QRK AMP 0.0003828 0.4113 7.75401
163 3DXY SAM 0.03775 0.40605 7.79817
164 3GGO ENO 0.00001747 0.46215 7.96178
165 3GGO NAI 0.00001747 0.46215 7.96178
166 3OND ADN 0.000003247 0.49543 8.02139
167 3OND NAD 0.000003247 0.49543 8.02139
168 4NBT NAD 0.007107 0.40342 8.75
169 4E5N NAD 0.00002111 0.43235 8.78788
170 3OJO NAD 0.000005556 0.41436 8.82353
171 1DIG L37 0.0001516 0.41065 8.82353
172 1DIG NAP 0.0001575 0.40709 8.82353
173 3WXB NDP 0.005027 0.40474 8.96057
174 2DBZ NAP 0.000003115 0.45005 8.98204
175 2Q0L NAP 0.0004035 0.49672 9.00322
176 3VPH OXM 0.000009543 0.45084 9.35484
177 3VPH NAD 0.00002813 0.43094 9.35484
178 5JE8 NAD 0.00000348 0.55054 9.93377
179 1U7T NAD 0.004116 0.41552 9.96169
180 3RC1 TLO 0.004028 0.40174 10
181 2OOR NAD 0.00177 0.44605 10.3448
182 2A92 NAI 0.0001355 0.41074 10.9034
183 4RVU NDP 0.0001045 0.42289 11.4458
184 4XB2 HSE 0.0001714 0.40892 11.6418
185 1E3W NAD 0.001091 0.43332 11.8774
186 1E6W NAD 0.003266 0.41449 11.9231
187 4II2 ATP 0.0007489 0.46648 12.0482
188 4WAS NAP 0.0002438 0.41468 12.0879
189 4WAS COO 0.0004039 0.40618 12.0879
190 1NVM NAD 0.00002501 0.42706 12.1739
191 2DT5 NAD 0.00000392 0.53428 12.3223
192 2ZB3 NDP 0.000091 0.40998 12.4646
193 2JAP NDP 0.003048 0.41321 13.3603
194 5MQ6 NDP 0.001854 0.44181 13.369
195 2H88 TEO 0.03547 0.41458 13.5922
196 1H5T TYD 0.03376 0.40858 13.6519
197 4O0L NDP 0.001304 0.42756 13.8182
198 2EV9 SKM 0.00005554 0.42263 14.0684
199 2EV9 NAP 0.00005554 0.42263 14.0684
200 5GZ6 NDP 0.000142 0.49918 14.7239
201 5GZ6 7C3 0.0001777 0.4863 14.7239
202 1VL8 NAP 0.001146 0.42453 14.9813
203 1PZG A3D 0.00004591 0.43907 15.71
204 2CDC XYP 0.0000145 0.48857 16.1202
205 2CDC NAP 0.00001785 0.48537 16.1202
206 2CDC XYS 0.00001785 0.48537 16.1202
207 1LDN NAD 0.00000874 0.43907 16.7722
208 1GEG NAD 0.001862 0.42414 16.7969
209 4B7X NAP 0.00001314 0.44398 19.6429
210 2DM6 IMN 0.000012 0.46266 20.4204
211 2DM6 NAP 0.0000131 0.45872 20.4204
212 5VKT NAP 0.000000001806 0.54589 22.3757
213 3EGV SAH 0.01444 0.41716 23.1293
214 1GEE NAD 0.007242 0.40079 23.3716
215 5DOZ NDP 0.00008216 0.46772 25.4438
216 1KOL NAD 0.0004395 0.44371 25.6684
217 3QWB NDP 0.00009764 0.41371 29.0419
218 1KEV NDP 0.0000002354 0.50056 29.6296
219 5KQA GSH 0.03436 0.42006 31.0606
220 1YQD NAP 0.000000002221 0.55833 33.3333
221 5FI3 NAP 0.00000002424 0.5147 33.8936
222 5H81 NAP 0.000000328 0.61198 37.7005
223 1YB5 NAP 0.00002087 0.44142 37.9679
224 3TWO NDP 0.0000000004294 0.58777 39.0805
225 4IDC 1XX 0.00005219 0.42657 39.1566
226 4IDC NDP 0.00005219 0.42657 39.1566
227 1PL6 572 0.00000003917 0.51384 42.6966
228 1PL6 NAD 0.000000002515 0.49133 42.6966
229 1YKF NAP 0.0000002805 0.57515 43.4659
230 2DFV NAD 0.00000004952 0.49288 44.9568
231 3GFB NAD 0.00000006577 0.61123 45.7143
Pocket No.: 3; Query (leader) PDB : 1U3U; Ligand: NAD; 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: 1u3u.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1U3U; Ligand: BNF; 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: 1u3u.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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