Receptor
PDB id Resolution Class Description Source Keywords
1DEH 2.2 Å EC: 1.1.1.1 CRYSTALLIZATION OF HUMAN BETA1 ALCOHOL DEHYDROGENASE (15 MG/ML) IN 50 MM SODIUM PHOSPHATE (PH 7.5), 2.0 MM NAD+ AND 1 MM 4-IODOPYRAZOLE AT 25 OC, 13% (W/V) PEG 8000 HOMO SAPIENS NAD+ DEPENDENT ALCOHOL DEHYDROGENASE OXIDOREDUCTASE
Ref.: X-RAY STRUCTURE OF HUMAN BETA3BETA3 ALCOHOL DEHYDROGENASE. THE CONTRIBUTION OF IONIC INTERACTIONS TO COENZYME BINDING. J.BIOL.CHEM. V. 271 17057 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:601;
Invalid;
none;
submit data
35.453 Cl [Cl-]
NAD B:377;
Valid;
none;
Kd = 1.9 uM
663.425 C21 H27 N7 O14 P2 c1cc(...
NAD PYZ A:377;
Invalid;
none;
submit data
n/a n/a
PYZ B:378;
Valid;
none;
submit data
193.974 C3 H3 I N2 c1c(c...
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 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCCC(C)....
3 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
5 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
7 1HDX - CXL C6 H12 O C1CCC(CC1)....
8 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
10 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
11 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1HLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1JU9 Ki = 1640 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 2JHG - NAD IBO n/a n/a
4 1HET - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1P1R Ki = 15 uM NMH C8 H17 N O CCCCCC(C)N....
6 1MG0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1HEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 2JHF Kd = 5 nM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 1AXG - 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 4NFS - ETF C2 H3 F3 O C(C(F)(F)F....
14 3BTO Ki = 0.72 uM SSB C8 H16 O S CCCCC1CCS(....
15 4NG5 Ki = 1.9 uM PFB C7 H3 F5 O C(c1c(c(c(....
16 1QV6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 4NFH - PFB C7 H3 F5 O C(c1c(c(c(....
18 1BTO Ki = 0.31 uM SSB C8 H16 O S CCCCC1CCS(....
19 1EE2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 1LDE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 1N92 Ki = 0.02 uM NAJ PYZ n/a n/a
22 1A71 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 1QV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 4DWV Ki = 0.52 uM PFB C7 H3 F5 O C(c1c(c(c(....
25 4DXH Ki = 8.4 uM ETF C2 H3 F3 O C(C(F)(F)F....
26 2OHX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 1AXE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 2OXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 1MGO Ki = 51 uM PFB C7 H3 F5 O C(c1c(c(c(....
30 1LDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 1HF3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCCC(C)....
34 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
36 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
38 1HDX - CXL C6 H12 O C1CCC(CC1)....
39 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
41 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
42 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1D1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1D1S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 4RQU Kd = 1.6 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1P0F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
48 1CDO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 1E3L - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1E3I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 1E3E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1MP0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 2FZW Kd = 0.076 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 2FZE - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
55 1M6W - 12H C12 H24 O3 C(CCCCCC(=....
56 1MA0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1HLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1JU9 Ki = 1640 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 2JHG - NAD IBO n/a n/a
4 1HET - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1P1R Ki = 15 uM NMH C8 H17 N O CCCCCC(C)N....
6 1MG0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1HEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 2JHF Kd = 5 nM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 1AXG - 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 4NFS - ETF C2 H3 F3 O C(C(F)(F)F....
14 3BTO Ki = 0.72 uM SSB C8 H16 O S CCCCC1CCS(....
15 4NG5 Ki = 1.9 uM PFB C7 H3 F5 O C(c1c(c(c(....
16 1QV6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 4NFH - PFB C7 H3 F5 O C(c1c(c(c(....
18 1BTO Ki = 0.31 uM SSB C8 H16 O S CCCCC1CCS(....
19 1EE2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 1LDE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 1N92 Ki = 0.02 uM NAJ PYZ n/a n/a
22 1A71 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 1QV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 4DWV Ki = 0.52 uM PFB C7 H3 F5 O C(c1c(c(c(....
25 4DXH Ki = 8.4 uM ETF C2 H3 F3 O C(C(F)(F)F....
26 2OHX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 1AXE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 2OXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 1MGO Ki = 51 uM PFB C7 H3 F5 O C(c1c(c(c(....
30 1LDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 1HF3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCCC(C)....
34 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
36 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
38 1HDX - CXL C6 H12 O C1CCC(CC1)....
39 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
41 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
42 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1D1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1D1S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 1F8F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 4RQU Kd = 1.6 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
48 1P0F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
49 1CDO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1E3L - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 1E3I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1E3E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 1MP0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 2FZW Kd = 0.076 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 2FZE - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
56 1M6W - 12H C12 H24 O3 C(CCCCCC(=....
57 1MA0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 196
No: Ligand ECFP6 Tc MDL keys Tc
1 NAD 1 1
2 A3D 0.872727 0.986111
3 NAD IBO 0.845455 0.933333
4 NHD 0.821429 0.972222
5 NAP 0.811966 0.986111
6 NAJ PYZ 0.803419 0.910256
7 NFD 0.791304 0.946667
8 DND 0.765766 0.972603
9 NXX 0.765766 0.972603
10 ZID 0.737705 0.986111
11 NAQ 0.729508 0.934211
12 NAE 0.721311 0.959459
13 NA0 0.712 0.972603
14 TAP 0.704 0.921053
15 AMP NAD 0.696 0.945946
16 NDE 0.689922 0.972603
17 NAJ 0.683333 0.972222
18 NDC 0.679389 0.934211
19 NDO 0.674603 0.958904
20 N01 0.656 0.972222
21 CNA 0.642276 0.972603
22 NBP 0.621212 0.922078
23 8ID 0.609756 0.922078
24 ADP MG 0.579439 0.918919
25 A2D 0.576923 0.958333
26 ADP 0.575472 0.931507
27 NGD 0.574803 0.922078
28 BEF ADP 0.574074 0.894737
29 ADP BEF 0.574074 0.894737
30 BA3 0.566038 0.958333
31 NAD NDT 0.565789 0.755319
32 M33 0.564815 0.918919
33 ADP PO3 0.563636 0.957747
34 B4P 0.560748 0.958333
35 AP5 0.560748 0.958333
36 ATP MG 0.558559 0.918919
37 GAP 0.553571 0.932432
38 CA0 0.550459 0.932432
39 ATP 0.545455 0.931507
40 ACP 0.545455 0.906667
41 NAD TDB 0.544872 0.70297
42 ADP ALF 0.54386 0.883117
43 ALF ADP 0.54386 0.883117
44 APR 0.540541 0.931507
45 AR6 0.540541 0.931507
46 AQP 0.540541 0.931507
47 5FA 0.540541 0.931507
48 ANP MG 0.53913 0.907895
49 ADP VO4 0.53913 0.945205
50 AGS 0.535714 0.883117
51 SAP 0.535714 0.883117
52 AD9 0.535714 0.906667
53 ABM 0.53271 0.905405
54 00A 0.529412 0.921053
55 DLL 0.529412 0.972222
56 ANP 0.526316 0.906667
57 ACQ 0.526316 0.906667
58 NJP 0.526316 0.959459
59 OAD 0.525 0.932432
60 AMP MG 0.523364 0.905405
61 ADX 0.522523 0.839506
62 5AL 0.521739 0.945205
63 A1R 0.521008 0.871795
64 AMP 0.518868 0.930556
65 A 0.518868 0.930556
66 50T 0.517857 0.893333
67 ATF 0.517241 0.894737
68 DAL AMP 0.516949 0.945205
69 3OD 0.516393 0.932432
70 1ZZ 0.516393 0.851852
71 SON 0.513514 0.92
72 PRX 0.513274 0.881579
73 SRP 0.512821 0.92
74 ADP BMA 0.512397 0.932432
75 MYR AMP 0.512195 0.851852
76 NAJ PZO 0.510949 0.909091
77 NMN 0.509434 0.875
78 AMP DBH 0.507937 0.906667
79 A22 0.504202 0.945205
80 FA5 0.504 0.945946
81 ATP A A A 0.504 0.971831
82 NAX 0.496183 0.886076
83 PR8 0.495935 0.8625
84 AMO 0.495868 0.92
85 ADQ 0.495868 0.932432
86 4AD 0.495868 0.933333
87 PAJ 0.495868 0.873418
88 A12 0.495495 0.894737
89 AP2 0.495495 0.894737
90 LA8 ALF 3PG 0.492424 0.873418
91 ALF ADP 3PG 0.492424 0.873418
92 AHZ 0.492308 0.851852
93 YAP 0.492063 0.933333
94 FYA 0.491935 0.918919
95 AHX 0.491803 0.884615
96 TAT 0.487179 0.894737
97 APC 0.486957 0.894737
98 SRA 0.486239 0.881579
99 NAI 0.484848 0.921053
100 GTA 0.484615 0.898734
101 LAD 0.483871 0.873418
102 AU1 0.482456 0.906667
103 AF3 ADP 3PG 0.481203 0.873418
104 LAQ 0.480916 0.851852
105 G3A 0.48062 0.909091
106 PTJ 0.48 0.884615
107 ME8 0.48 0.851852
108 NB8 0.48 0.884615
109 BIS 0.48 0.871795
110 TXA 0.48 0.92
111 139 0.477941 0.886076
112 LPA AMP 0.477273 0.851852
113 AFH 0.476923 0.873418
114 G5P 0.476923 0.909091
115 AR6 AR6 0.476923 0.958333
116 25L 0.47619 0.945205
117 25A 0.47541 0.958333
118 DZD 0.47482 0.897436
119 TXD 0.473684 0.921053
120 TYM 0.470149 0.945946
121 ADV 0.470085 0.894737
122 RBY 0.470085 0.894737
123 4TA 0.467626 0.864198
124 XAH 0.465116 0.851852
125 M24 0.461538 0.886076
126 IOT 0.459854 0.821429
127 T5A 0.456522 0.853659
128 EAD 0.455782 0.886076
129 MAP 0.455285 0.883117
130 BT5 0.453901 0.821429
131 A4P 0.452555 0.833333
132 UP5 0.451852 0.933333
133 PAP 0.445378 0.917808
134 AP0 0.445255 0.884615
135 4TC 0.445255 0.909091
136 YLP 0.444444 0.831325
137 P1H 0.443709 0.864198
138 AOC 0.442478 0.810811
139 Z5A 0.439189 0.833333
140 2A5 0.436975 0.857143
141 G A A A 0.43662 0.909091
142 COD 0.43662 0.802326
143 ADJ 0.435714 0.841463
144 YLC 0.434783 0.851852
145 YLB 0.434783 0.831325
146 ATR 0.433333 0.90411
147 7MD 0.432836 0.851852
148 G5A 0.429752 0.790698
149 PO4 PO4 A A A A PO4 0.429688 0.943662
150 TAD 0.42963 0.873418
151 5AS 0.42735 0.770115
152 BTX 0.426573 0.831325
153 YLA 0.425532 0.831325
154 DSZ 0.425197 0.790698
155 NCN 0.424779 0.805556
156 UPA 0.42446 0.921053
157 VMS 0.424 0.8
158 54H 0.424 0.8
159 N0B 0.422819 0.853659
160 6AD 0.422764 0.85
161 AYB 0.422535 0.821429
162 YLY 0.421769 0.821429
163 TSB 0.420635 0.809524
164 ODP 0.41958 0.922078
165 FB0 0.419355 0.775281
166 A5A 0.419355 0.819277
167 AV2 0.419355 0.855263
168 NNR 0.419048 0.739726
169 LEU LMS 0.418605 0.793103
170 A A A 0.418605 0.918919
171 NMN AMP PO4 0.416667 0.933333
172 SSA 0.416 0.790698
173 P5A 0.415385 0.755556
174 LSS 0.414062 0.772727
175 A2R 0.412698 0.918919
176 52H 0.412698 0.790698
177 5N5 0.411215 0.783784
178 YSA 0.410448 0.811765
179 53H 0.409449 0.790698
180 5CA 0.409449 0.790698
181 ITT 0.408333 0.878378
182 NA7 0.407692 0.894737
183 5CD 0.407407 0.794521
184 0WD 0.406897 0.909091
185 A3P 0.40678 0.930556
186 AVV 0.40625 0.860759
187 ADN 0.40566 0.808219
188 XYA 0.40566 0.808219
189 RAB 0.40566 0.808219
190 FDA 0.405063 0.823529
191 GSU 0.40458 0.790698
192 7MC 0.404255 0.831325
193 NSS 0.403101 0.811765
194 6FA 0.402516 0.853659
195 PPS 0.4 0.817073
196 NVA LMS 0.4 0.793103
Ligand no: 2; Ligand: PYZ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PYZ 1 1
2 JZ6 0.416667 0.909091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U3U; Ligand: BNF; Similar sites found: 432
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)
1 3TWO NDP 4.294e-10 0.65494
2 1P77 ATR 3.268e-06 0.64042
3 1YQD NAP 2.221e-09 0.64003
4 3GFB NAD 6.577e-08 0.61123
5 2IZ1 ATR 2.208e-05 0.6011
6 3B1F NAD 9.353e-07 0.59175
7 4K28 NAD 8.323e-07 0.58227
8 1YKF NAP 2.805e-07 0.57515
9 1BW9 NAD 2.269e-06 0.57464
10 3ABI NAD 3.193e-07 0.57293
11 4K28 NAD 1.253e-06 0.56924
12 2B5W NAP 1.058e-07 0.56737
13 1EZ4 NAD 1.381e-06 0.56229
14 1KEV NDP 2.354e-07 0.55908
15 1LTH NAD 2.924e-06 0.55886
16 1KOL NAD 5.513e-09 0.55638
17 3BAZ NAP 2.553e-06 0.55621
18 1C1X NAD 2.223e-06 0.55371
19 1MUU NAD 2.823e-06 0.54941
20 1V6A TRE 0.0002193 0.54367
21 2HJR APR 1.293e-05 0.54105
22 1MUU NAD 6.82e-06 0.53821
23 3KB6 NAD 4.147e-06 0.53781
24 2HJR APR 1.175e-05 0.53781
25 1WP4 NDP 4.946e-06 0.53469
26 2DT5 NAD 3.92e-06 0.53428
27 2HJR APR 1.506e-05 0.53311
28 1KYQ NAD 5.582e-05 0.53309
29 9LDB NAD 2.942e-06 0.53051
30 2HJR APR 1.746e-05 0.53031
31 2F1K NAP 8.766e-06 0.529
32 3WBF NAP 5.345e-06 0.52888
33 2F1K NAP 1.148e-05 0.52867
34 1LTH NAD 7.393e-06 0.52757
35 2HJR APR 2.024e-05 0.5275
36 2HJR APR 2.024e-05 0.5275
37 2HJR APR 2.024e-05 0.5275
38 2HJR APR 2.059e-05 0.52718
39 2HJR APR 2.059e-05 0.52718
40 2HJR APR 2.059e-05 0.52718
41 1A5Z NAD 2.693e-05 0.52688
42 2DT5 NAD 5.218e-06 0.52499
43 2HJR APR 2.466e-05 0.52376
44 1KYQ NAD 6.787e-05 0.52367
45 2HJR APR 2.506e-05 0.52346
46 1HYH NAD 5.062e-06 0.52134
47 1HYH NAD 5.062e-06 0.52134
48 2IZZ NAD 1.139e-05 0.51991
49 4A0S NAP 5.737e-06 0.51923
50 1LDM NAD 7.615e-06 0.51851
51 1I0Z NAI 8.395e-06 0.51683
52 2CVZ NDP 1.798e-05 0.51606
53 2HJR APR 2.944e-05 0.51582
54 2HJR APR 2.944e-05 0.51582
55 2HJR APR 2.944e-05 0.51582
56 2YVJ NAI 0.0001035 0.51504
57 1PL6 572 3.917e-08 0.51384
58 1PL6 572 3.917e-08 0.51384
59 1PL6 572 5.594e-08 0.51319
60 1NYT NAP 3.187e-05 0.50997
61 1NYT NAP 3.187e-05 0.50997
62 1NYT NAP 3.187e-05 0.50997
63 1HKU NAD 1.025e-05 0.50942
64 1GQ2 NAP 1.768e-05 0.50802
65 1GQ2 NAP 2.012e-05 0.50577
66 3V1Y NAD 3.197e-05 0.50569
67 4E5N NAD 1.304e-05 0.50536
68 1GQ2 NAP 2.615e-05 0.50518
69 1E5Q NDP 2.081e-05 0.50518
70 1E5Q NDP 2.131e-05 0.50476
71 1E5Q NDP 2.2e-05 0.50421
72 1E5Q NDP 2.33e-05 0.50321
73 1GQ2 NAP 3.587e-05 0.49958
74 3NGL NAP 0.0001429 0.49905
75 4B7X NAP 9.71e-06 0.49905
76 2CVQ NDP 2.984e-05 0.4989
77 4B7X NAP 1.314e-05 0.49775
78 3NJ4 AFX 3.32e-06 0.49752
79 4E5N NAD 2.111e-05 0.49722
80 2Q0L NAP 0.0004035 0.49672
81 4MDH NAD 4.38e-05 0.49605
82 4J4H NAI 2.41e-06 0.49594
83 2NU8 COA 5.512e-05 0.49588
84 3VPH OXM 9.543e-06 0.49578
85 1O94 ADP 8.991e-05 0.49502
86 4J4H 1J1 2.136e-06 0.49494
87 4J4H NAI 3.083e-06 0.49494
88 4J4H NAI 2.58e-06 0.49494
89 4J4H 1J1 3.083e-06 0.49494
90 4E5N NAD 1.942e-05 0.49493
91 4R68 W31 6.245e-06 0.49471
92 4J4H NAI 2.63e-06 0.49466
93 4B7X NAP 2.469e-05 0.49458
94 1NVM NAD 2.501e-05 0.49436
95 3WBF API 1.618e-05 0.49434
96 4J4H 1J1 2.516e-06 0.49396
97 4R68 NAI 7.091e-06 0.49381
98 4J4H 1J1 2.55e-06 0.49376
99 3NJ4 NAD 4.267e-05 0.49369
100 1NVM NAD 1.7e-05 0.49353
101 1V8B NAD 6.236e-07 0.49334
102 4J4H NAI 4.12e-06 0.49314
103 4J4H 1J1 4.12e-06 0.49314
104 1PL6 NAD 1.995e-09 0.49313
105 1PL6 NAD 3.517e-09 0.49313
106 2B4R NAD 2.728e-05 0.49289
107 2DFV NAD 4.952e-08 0.49288
108 1VI2 NAD 0.0001589 0.49261
109 2DFV NAD 5.384e-08 0.49212
110 1PL6 NAD 2.515e-09 0.49133
111 1J5P NAD 5.88e-05 0.49083
112 4B7X NAP 3.083e-05 0.49082
113 2DFV NAD 4.093e-08 0.49028
114 2GCG NDP 5.29e-05 0.48891
115 2CDC XYP 1.45e-05 0.48857
116 3H9E NAD 8.617e-05 0.48783
117 4B7X NAP 3.148e-05 0.4869
118 1C3V NDP 3.9e-05 0.48685
119 4E5N NAD 3.208e-05 0.48658
120 1CER NAD 9.332e-05 0.4864
121 1OBB NAD 0.0001496 0.48553
122 2CDC XYS 1.785e-05 0.48537
123 2CDC NAP 1.785e-05 0.48537
124 1O0S NAI 0.0001873 0.4853
125 3VPH NAD 2.813e-05 0.48528
126 4B7X NAP 3.843e-05 0.48358
127 2DM6 NAP 1.31e-05 0.48086
128 1LVL NAD 0.0003661 0.48055
129 2DM6 IMN 1.2e-05 0.47905
130 2B4R AES 7.934e-05 0.4783
131 1X7D ORN 2.764e-06 0.47752
132 2GCG NDP 8.34e-05 0.47744
133 1IE3 NAD 5.707e-05 0.477
134 2PV7 NAD 0.0001312 0.47661
135 4JK3 NAD 1.3e-07 0.4764
136 4JK3 NAD 2.659e-07 0.4764
137 4JK3 NAD 1.352e-07 0.47603
138 3QWB NDP 7.96e-05 0.4748
139 1ZMD NAI 0.0002303 0.47374
140 2VHW NAI 2.503e-06 0.47348
141 1IE3 NAD 3.625e-05 0.47141
142 3QWB NDP 9.764e-05 0.47135
143 2ZJ1 ARJ 1.188e-06 0.47093
144 2ZJ1 NAD 1.243e-06 0.47018
145 3OND NAD 3.247e-06 0.46908
146 3OND ADN 3.247e-06 0.46908
147 3OND ADN 3.247e-06 0.46908
148 3OND NAD 3.247e-06 0.46908
149 4II2 ATP 0.0007489 0.46648
150 1PZG A3D 4.591e-05 0.46469
151 1Y8Q ATP 0.0005764 0.46398
152 4KOA NDP 0.001582 0.46338
153 4MP8 NAD 8.005e-06 0.46258
154 4MP8 MLI 8.005e-06 0.46258
155 1HDG NAD 0.0004323 0.4622
156 1ZMD NAI 0.0005233 0.46219
157 3GGO ENO 1.747e-05 0.46215
158 3GGO NAI 1.747e-05 0.46215
159 1NPD NAD 0.0005283 0.46201
160 1JAY NAP 0.0007839 0.46178
161 1ZMD NAI 0.0004606 0.46104
162 2I3G NAP 0.0001815 0.46088
163 1DIG NAP 0.0001575 0.46012
164 3GGO ENO 2.539e-05 0.45927
165 3GGO NAI 2.539e-05 0.45927
166 1X7D NAD 1.269e-06 0.45891
167 1YJQ NAP 0.0001446 0.45846
168 3QV1 NAD 0.0004489 0.4581
169 1ZMD NAI 0.0005433 0.45801
170 1DIG L37 0.0001516 0.45769
171 1Y8Q ATP 0.0006977 0.45683
172 1X14 NAD 0.002198 0.45652
173 2I3G NAP 0.0001979 0.45632
174 2I3G NAP 0.0001979 0.45632
175 1UXG NAD 1.794e-05 0.4539
176 1UXG FUM 1.794e-05 0.4539
177 1U8X NAD 0.000567 0.45389
178 1IE3 PYR 5.624e-05 0.45311
179 3B1J NAD 0.0003502 0.45282
180 9LDT NAD 2.59e-06 0.45233
181 3OA2 NAD 0.0004355 0.45216
182 1F8G NAD 0.001328 0.4516
183 3GD4 NAD 0.00114 0.45105
184 2IXB NAD 0.000333 0.45063
185 2BH9 NAP 0.003572 0.45031
186 2DBZ NAP 3.115e-06 0.45005
187 3QV1 NAD 0.0007046 0.44998
188 3QV1 NAD 0.0007046 0.44998
189 1LJ8 NAD 0.001499 0.44926
190 1SAY PYR 1.033e-05 0.44878
191 2GSD NAD 0.000188 0.44838
192 1W8D NAP 0.001157 0.4474
193 1F8G NAD 0.001685 0.447
194 2OOR NAD 0.00177 0.44605
195 4DPL NAP 0.0005333 0.4456
196 4MDB RLT 0.009376 0.44559
197 2NXE SAM 0.003394 0.44371
198 1ZQ9 SAM 0.003409 0.44362
199 4BVA T3 3.847e-05 0.44296
200 1W73 NAP 0.001471 0.44292
201 2FR1 NDP 0.0004431 0.44291
202 2FKA BEF 0.0149 0.44242
203 4R5M NAP 0.0007699 0.44223
204 1YB5 NAP 2.087e-05 0.44142
205 1YB5 NAP 2.087e-05 0.44142
206 3EGI ADP 0.01387 0.44115
207 2ZB4 5OP 4.664e-05 0.44114
208 1M2W NAD 0.002292 0.44106
209 4BVA NDP 9.343e-06 0.44023
210 4R5M 4NO 0.0006516 0.43928
211 1LDN NAD 8.74e-06 0.43907
212 1M2W NAD 0.002145 0.43904
213 2NXE SAM 0.004404 0.43838
214 2WZM NA7 0.003737 0.43821
215 1Z82 NDP 0.00115 0.43814
216 1TB4 PEJ 0.0008295 0.43802
217 1MV8 NAD 2.089e-06 0.43739
218 4PLG OXM 5.225e-05 0.43715
219 4PLG NAI 5.225e-05 0.43715
220 1LDN NAD 1.092e-05 0.43621
221 1MV8 NAD 2.311e-06 0.43618
222 4CQM NAP 0.0009558 0.43559
223 2ZB4 NAP 5.942e-05 0.43502
224 2O4C NAD 1.39e-05 0.43488
225 2GZ3 NAP 0.0002413 0.43415
226 2GZ3 NAP 0.0002277 0.43402
227 1BXG NAD 4.679e-06 0.43391
228 2GLX NDP 0.002439 0.43349
229 1E3W NAD 0.001091 0.43332
230 2EWM NAD 0.0009395 0.4331
231 2GLX NDP 0.002531 0.4328
232 1OMO NAD 2.809e-06 0.4323
233 1GUZ NAD 8.926e-06 0.43218
234 2J8Z NAP 1.411e-05 0.43137
235 4IF4 BEF 0.018 0.43133
236 2GLX NDP 0.002786 0.43101
237 4CQM NAP 0.00126 0.43084
238 1T26 GBD 0.0001844 0.4307
239 1T26 NAI 0.0001844 0.4307
240 2GLX NDP 0.002872 0.43044
241 4CQM NAP 0.001307 0.43022
242 1SOW NAD 2.678e-05 0.42999
243 2IXB A2G 0.0003756 0.42975
244 2GLX NDP 0.003008 0.42957
245 1GV0 NAD 1.636e-05 0.42948
246 3M89 GSP 0.01351 0.42915
247 4K5S FAD 0.000868 0.42909
248 1QMG APX 0.003186 0.4285
249 1J49 NAD 1.36e-05 0.42841
250 2HK9 NAP 6.541e-06 0.42814
251 3CBG SAH 0.008563 0.42812
252 4IF4 BEF 0.02078 0.42791
253 4IF4 BEF 0.02078 0.42791
254 4FN4 NAD 0.001514 0.42769
255 4O0L NDP 0.001304 0.42756
256 4IDC NDP 5.219e-05 0.42657
257 4IDC 1XX 5.219e-05 0.42657
258 2VYN NAD 1.484e-05 0.42656
259 1U1I NAD 0.0008677 0.42654
260 4OOE NDP 0.00261 0.42638
261 1K1Y MAL 0.02689 0.42461
262 1K1Y MAL 0.02689 0.42461
263 3CIF NAD 1.768e-05 0.42455
264 3CIF NAD 1.768e-05 0.42455
265 1VL8 NAP 0.001146 0.42453
266 1VL8 NAP 0.001146 0.42453
267 2GLX NDP 0.003969 0.4244
268 4CQM NAP 0.001582 0.4243
269 3CIF NAD 1.382e-05 0.42428
270 1GEG NAD 0.001862 0.42414
271 1SC6 NAD 4.02e-05 0.42405
272 2QA1 FAD 0.000878 0.42387
273 2HK9 NAP 1.155e-05 0.42379
274 1J0X NAD 0.0003935 0.42297
275 2HK9 NAP 8.304e-06 0.42288
276 1P31 EPU 0.00946 0.42271
277 2EV9 SKM 5.554e-05 0.42263
278 2EV9 NAP 5.554e-05 0.42263
279 3FGZ BEF 0.03325 0.42164
280 1V9A SAH 0.01404 0.42108
281 3FGZ BEF 0.03308 0.421
282 2G5C NAD 3.146e-05 0.42089
283 2C29 NAP 0.00264 0.42073
284 1VKO NAD 0.001696 0.42058
285 3KLJ FAD 0.001467 0.42049
286 1QMG APX 0.00578 0.42021
287 1RYD NDP 0.0008606 0.41941
288 1TE2 PGA 0.03879 0.41915
289 1TE2 PGA 0.03879 0.41915
290 2YVF FAD 0.001099 0.41912
291 2YVF NAD 0.001155 0.41912
292 4NBU NAI 0.002152 0.41909
293 1P31 EPU 0.01137 0.41893
294 1H5Q NAP 0.002926 0.41893
295 3A28 NAD 0.002525 0.41891
296 1DLJ UGA 7.659e-05 0.41879
297 3FZG SAM 0.01564 0.41876
298 3G89 SAM 0.01845 0.4186
299 2GV8 NDP 0.005553 0.41813
300 3CIF G3H 0.0001109 0.41811
301 3G89 SAM 0.01889 0.41809
302 3CIF G3H 9.203e-05 0.41792
303 1DXY NAD 1.284e-05 0.4179
304 3CIF NAD 1.726e-05 0.4179
305 1DXY NAD 1.284e-05 0.4179
306 4JJF FE9 0.003648 0.41766
307 1DLJ NAI 8.568e-05 0.41732
308 3EGV SAH 0.01444 0.41716
309 2BD0 NAP 0.002095 0.41706
310 1GEG NAD 0.002854 0.4168
311 3WMX NAD 0.003308 0.41679
312 1BDB NAD 0.001901 0.41624
313 3JYN NDP 0.000125 0.41623
314 3CIF G3H 0.0001587 0.41572
315 3CIF G3H 0.0001587 0.41572
316 2RGJ FAD 0.001971 0.41565
317 1F06 NDP 0.0001287 0.41559
318 1F06 2NP 0.0001287 0.41559
319 1F06 2NP 0.0001287 0.41559
320 1F06 NDP 0.0001287 0.41559
321 1U7T NAD 0.004116 0.41552
322 2WW4 ADP 0.02494 0.4154
323 1GR0 NAD 0.0001226 0.41536
324 3CIF G3H 0.0001344 0.41528
325 2OHV NHL 0.03456 0.4152
326 1L5Y BEF 0.02919 0.4152
327 2GCG DGY 0.03581 0.41512
328 4NRB 2LX 0.03803 0.415
329 2H88 TEO 0.03547 0.41458
330 1E6W NAD 0.003266 0.41449
331 3OJO NAD 5.556e-06 0.41436
332 2YN4 39J 0.0427 0.41434
333 3H0L ADP 0.03067 0.41427
334 3M6W SAM 0.01931 0.41424
335 3M6W SAM 0.01931 0.41424
336 3SJU NDP 0.002879 0.41417
337 3SJU NDP 0.002879 0.41417
338 1L1E SAH 0.01443 0.41403
339 3LRE ADP 0.03398 0.4139
340 2DC1 NAD 3.081e-05 0.41323
341 2JAP NDP 0.003048 0.41321
342 1VQW FAD 0.0023 0.41312
343 3A28 NAD 0.003554 0.41303
344 1F06 NDP 7.951e-05 0.41298
345 3D3W NAP 0.002352 0.41275
346 3D3W NAP 0.002352 0.41275
347 2YGM GLA NAG GAL FUC 0.03839 0.41271
348 2NU8 COA 0.0007496 0.4126
349 2GV8 FAD 0.002058 0.41259
350 4JJF N2I 0.003691 0.41238
351 1XG5 NAP 0.003206 0.41235
352 1XG5 NAP 0.003206 0.41235
353 2NAD NAD 0.0002162 0.41227
354 2DVZ GLU 0.03346 0.41226
355 2DVZ GLU 0.03346 0.41226
356 4INW 1EY 0.01856 0.41189
357 1H5Q NAP 0.003307 0.41183
358 1H5Q NAP 0.003879 0.41153
359 2QRK AMP 0.0003828 0.4113
360 1DSS NAD 2.017e-05 0.41129
361 2A92 NAI 0.0001355 0.41074
362 1M98 SUC 0.04657 0.41056
363 1N5D NDP 0.003585 0.41046
364 1NVT NAP 1.899e-05 0.41018
365 2ZB3 NDP 9.1e-05 0.40998
366 2ZB3 NDP 9.1e-05 0.40998
367 4ITU NAI 0.002862 0.40953
368 2G5C NAD 4.528e-05 0.40944
369 1B8U OAA 0.0001279 0.40919
370 2DKN NAI 0.005187 0.40893
371 3LRE ADP 0.03964 0.40884
372 3LRE ADP 0.03964 0.40884
373 1H5T TYD 0.03376 0.40858
374 3FWN ATR 0.0001934 0.40846
375 5MDH NAD 4.755e-05 0.40819
376 1YRX FMN 0.02574 0.40806
377 2X3N FAD 0.001806 0.40796
378 2GCG DGY 0.04411 0.40787
379 3LZW FAD 0.001593 0.40774
380 1YRX FMN 0.03065 0.40744
381 2CFC NAD 0.005657 0.40742
382 1GY8 NAD 0.004315 0.40732
383 3CGD FAD 0.00444 0.40722
384 3CGD COA 0.00444 0.40722
385 3CGD NAD 0.00444 0.40722
386 1D6Z HY1 0.04652 0.40666
387 1IY8 NAD 0.004534 0.40649
388 3QV1 NAD 0.005975 0.40646
389 1GY8 NAD 0.004579 0.40632
390 3WMX NAD 0.00797 0.40622
391 3DXY SAM 0.03775 0.40605
392 4J36 FAD 0.0002717 0.4059
393 2YX1 SFG 0.03314 0.40571
394 2Q1W NAD 0.004146 0.40569
395 4BKU NAI 0.01433 0.40556
396 1GEE NAD 0.004905 0.40516
397 4KP7 1UQ 0.001901 0.40505
398 2B4Q NAP 0.005685 0.40495
399 2B4Q NAP 0.005685 0.40495
400 4PLT OXM 0.000134 0.40492
401 3JQA NAP 0.007577 0.40468
402 1EBF NAD 2.809e-05 0.40449
403 1IY8 NAD 0.005105 0.40448
404 3CIF NAD 5.32e-05 0.4042
405 3JQ7 NAP 0.00778 0.4042
406 3LU1 NAD 0.005252 0.404
407 3JQB NAP 0.007931 0.40386
408 4PLT NAI 0.0001028 0.40366
409 4NBT NAD 0.007107 0.40342
410 3BMO NAP 0.007204 0.40319
411 2IVD FAD 0.002815 0.40318
412 3ICC NAP 0.004975 0.40265
413 1O6Z NAD 3.203e-05 0.40254
414 1N1G BCP 0.0004204 0.40232
415 2Q46 NAP 0.01312 0.40204
416 3GDH SAH 0.01514 0.40186
417 3RC1 TLO 0.004028 0.40174
418 3JQF NAP 0.006947 0.4015
419 1WDK NAD 1.994e-05 0.40145
420 1RM0 NAI 0.0007933 0.40139
421 3BMQ NAP 0.006994 0.40139
422 2CUL FAD 0.003609 0.40137
423 3SSO SAH 0.02047 0.40123
424 3JQG NAP 0.009229 0.40117
425 1UWK NAD 0.0007872 0.40115
426 1UWK URO 0.0007872 0.40115
427 3GDH SAH 0.01377 0.40113
428 1GEE NAD 0.007242 0.40079
429 1GEE NAD 0.007242 0.40079
430 1ZBQ NAD 0.005622 0.40061
431 1Z45 NAD 0.00736 0.40051
432 4KP7 NAP 0.002296 0.40014
Pocket No.: 2; Query (leader) PDB : 1U3U; Ligand: NAD; Similar sites found: 432
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)
1 3TWO NDP 4.294e-10 0.65494
2 1P77 ATR 3.268e-06 0.64042
3 1YQD NAP 2.221e-09 0.64003
4 3GFB NAD 6.577e-08 0.61123
5 2IZ1 ATR 2.208e-05 0.6011
6 3B1F NAD 9.353e-07 0.59175
7 4K28 NAD 8.323e-07 0.58227
8 1YKF NAP 2.805e-07 0.57515
9 1BW9 NAD 2.269e-06 0.57464
10 3ABI NAD 3.193e-07 0.57293
11 4K28 NAD 1.253e-06 0.56924
12 2B5W NAP 1.058e-07 0.56737
13 1EZ4 NAD 1.381e-06 0.56229
14 1KEV NDP 2.354e-07 0.55908
15 1LTH NAD 2.924e-06 0.55886
16 1KOL NAD 5.513e-09 0.55638
17 3BAZ NAP 2.553e-06 0.55621
18 1C1X NAD 2.223e-06 0.55371
19 1MUU NAD 2.823e-06 0.54941
20 1V6A TRE 0.0002193 0.54367
21 2HJR APR 1.293e-05 0.54105
22 1MUU NAD 6.82e-06 0.53821
23 3KB6 NAD 4.147e-06 0.53781
24 2HJR APR 1.175e-05 0.53781
25 1WP4 NDP 4.946e-06 0.53469
26 2DT5 NAD 3.92e-06 0.53428
27 2HJR APR 1.506e-05 0.53311
28 1KYQ NAD 5.582e-05 0.53309
29 9LDB NAD 2.942e-06 0.53051
30 2HJR APR 1.746e-05 0.53031
31 2F1K NAP 8.766e-06 0.529
32 3WBF NAP 5.345e-06 0.52888
33 2F1K NAP 1.148e-05 0.52867
34 1LTH NAD 7.393e-06 0.52757
35 2HJR APR 2.024e-05 0.5275
36 2HJR APR 2.024e-05 0.5275
37 2HJR APR 2.024e-05 0.5275
38 2HJR APR 2.059e-05 0.52718
39 2HJR APR 2.059e-05 0.52718
40 2HJR APR 2.059e-05 0.52718
41 1A5Z NAD 2.693e-05 0.52688
42 2DT5 NAD 5.218e-06 0.52499
43 2HJR APR 2.466e-05 0.52376
44 1KYQ NAD 6.787e-05 0.52367
45 2HJR APR 2.506e-05 0.52346
46 1HYH NAD 5.062e-06 0.52134
47 1HYH NAD 5.062e-06 0.52134
48 2IZZ NAD 1.139e-05 0.51991
49 4A0S NAP 5.737e-06 0.51923
50 1LDM NAD 7.615e-06 0.51851
51 1I0Z NAI 8.395e-06 0.51683
52 2CVZ NDP 1.798e-05 0.51606
53 2HJR APR 2.944e-05 0.51582
54 2HJR APR 2.944e-05 0.51582
55 2HJR APR 2.944e-05 0.51582
56 2YVJ NAI 0.0001035 0.51504
57 1PL6 572 3.917e-08 0.51384
58 1PL6 572 3.917e-08 0.51384
59 1PL6 572 5.594e-08 0.51319
60 1NYT NAP 3.187e-05 0.50997
61 1NYT NAP 3.187e-05 0.50997
62 1NYT NAP 3.187e-05 0.50997
63 1HKU NAD 1.025e-05 0.50942
64 1GQ2 NAP 1.768e-05 0.50802
65 1GQ2 NAP 2.012e-05 0.50577
66 3V1Y NAD 3.197e-05 0.50569
67 4E5N NAD 1.304e-05 0.50536
68 1GQ2 NAP 2.615e-05 0.50518
69 1E5Q NDP 2.081e-05 0.50518
70 1E5Q NDP 2.131e-05 0.50476
71 1E5Q NDP 2.2e-05 0.50421
72 1E5Q NDP 2.33e-05 0.50321
73 1GQ2 NAP 3.587e-05 0.49958
74 3NGL NAP 0.0001429 0.49905
75 4B7X NAP 9.71e-06 0.49905
76 2CVQ NDP 2.984e-05 0.4989
77 4B7X NAP 1.314e-05 0.49775
78 3NJ4 AFX 3.32e-06 0.49752
79 4E5N NAD 2.111e-05 0.49722
80 2Q0L NAP 0.0004035 0.49672
81 4MDH NAD 4.38e-05 0.49605
82 4J4H NAI 2.41e-06 0.49594
83 2NU8 COA 5.512e-05 0.49588
84 3VPH OXM 9.543e-06 0.49578
85 1O94 ADP 8.991e-05 0.49502
86 4J4H 1J1 2.136e-06 0.49494
87 4J4H NAI 3.083e-06 0.49494
88 4J4H NAI 2.58e-06 0.49494
89 4J4H 1J1 3.083e-06 0.49494
90 4E5N NAD 1.942e-05 0.49493
91 4R68 W31 6.245e-06 0.49471
92 4J4H NAI 2.63e-06 0.49466
93 4B7X NAP 2.469e-05 0.49458
94 1NVM NAD 2.501e-05 0.49436
95 3WBF API 1.618e-05 0.49434
96 4J4H 1J1 2.516e-06 0.49396
97 4R68 NAI 7.091e-06 0.49381
98 4J4H 1J1 2.55e-06 0.49376
99 3NJ4 NAD 4.267e-05 0.49369
100 1NVM NAD 1.7e-05 0.49353
101 1V8B NAD 6.236e-07 0.49334
102 4J4H NAI 4.12e-06 0.49314
103 4J4H 1J1 4.12e-06 0.49314
104 1PL6 NAD 1.995e-09 0.49313
105 1PL6 NAD 3.517e-09 0.49313
106 2B4R NAD 2.728e-05 0.49289
107 2DFV NAD 4.952e-08 0.49288
108 1VI2 NAD 0.0001589 0.49261
109 2DFV NAD 5.384e-08 0.49212
110 1PL6 NAD 2.515e-09 0.49133
111 1J5P NAD 5.88e-05 0.49083
112 4B7X NAP 3.083e-05 0.49082
113 2DFV NAD 4.093e-08 0.49028
114 2GCG NDP 5.29e-05 0.48891
115 2CDC XYP 1.45e-05 0.48857
116 3H9E NAD 8.617e-05 0.48783
117 4B7X NAP 3.148e-05 0.4869
118 1C3V NDP 3.9e-05 0.48685
119 4E5N NAD 3.208e-05 0.48658
120 1CER NAD 9.332e-05 0.4864
121 1OBB NAD 0.0001496 0.48553
122 2CDC XYS 1.785e-05 0.48537
123 2CDC NAP 1.785e-05 0.48537
124 1O0S NAI 0.0001873 0.4853
125 3VPH NAD 2.813e-05 0.48528
126 4B7X NAP 3.843e-05 0.48358
127 2DM6 NAP 1.31e-05 0.48086
128 1LVL NAD 0.0003661 0.48055
129 2DM6 IMN 1.2e-05 0.47905
130 2B4R AES 7.934e-05 0.4783
131 1X7D ORN 2.764e-06 0.47752
132 2GCG NDP 8.34e-05 0.47744
133 1IE3 NAD 5.707e-05 0.477
134 2PV7 NAD 0.0001312 0.47661
135 4JK3 NAD 1.3e-07 0.4764
136 4JK3 NAD 2.659e-07 0.4764
137 4JK3 NAD 1.352e-07 0.47603
138 3QWB NDP 7.96e-05 0.4748
139 1ZMD NAI 0.0002303 0.47374
140 2VHW NAI 2.503e-06 0.47348
141 1IE3 NAD 3.625e-05 0.47141
142 3QWB NDP 9.764e-05 0.47135
143 2ZJ1 ARJ 1.188e-06 0.47093
144 2ZJ1 NAD 1.243e-06 0.47018
145 3OND NAD 3.247e-06 0.46908
146 3OND ADN 3.247e-06 0.46908
147 3OND ADN 3.247e-06 0.46908
148 3OND NAD 3.247e-06 0.46908
149 4II2 ATP 0.0007489 0.46648
150 1PZG A3D 4.591e-05 0.46469
151 1Y8Q ATP 0.0005764 0.46398
152 4KOA NDP 0.001582 0.46338
153 4MP8 NAD 8.005e-06 0.46258
154 4MP8 MLI 8.005e-06 0.46258
155 1HDG NAD 0.0004323 0.4622
156 1ZMD NAI 0.0005233 0.46219
157 3GGO ENO 1.747e-05 0.46215
158 3GGO NAI 1.747e-05 0.46215
159 1NPD NAD 0.0005283 0.46201
160 1JAY NAP 0.0007839 0.46178
161 1ZMD NAI 0.0004606 0.46104
162 2I3G NAP 0.0001815 0.46088
163 1DIG NAP 0.0001575 0.46012
164 3GGO ENO 2.539e-05 0.45927
165 3GGO NAI 2.539e-05 0.45927
166 1X7D NAD 1.269e-06 0.45891
167 1YJQ NAP 0.0001446 0.45846
168 3QV1 NAD 0.0004489 0.4581
169 1ZMD NAI 0.0005433 0.45801
170 1DIG L37 0.0001516 0.45769
171 1Y8Q ATP 0.0006977 0.45683
172 1X14 NAD 0.002198 0.45652
173 2I3G NAP 0.0001979 0.45632
174 2I3G NAP 0.0001979 0.45632
175 1UXG NAD 1.794e-05 0.4539
176 1UXG FUM 1.794e-05 0.4539
177 1U8X NAD 0.000567 0.45389
178 1IE3 PYR 5.624e-05 0.45311
179 3B1J NAD 0.0003502 0.45282
180 9LDT NAD 2.59e-06 0.45233
181 3OA2 NAD 0.0004355 0.45216
182 1F8G NAD 0.001328 0.4516
183 3GD4 NAD 0.00114 0.45105
184 2IXB NAD 0.000333 0.45063
185 2BH9 NAP 0.003572 0.45031
186 2DBZ NAP 3.115e-06 0.45005
187 3QV1 NAD 0.0007046 0.44998
188 3QV1 NAD 0.0007046 0.44998
189 1LJ8 NAD 0.001499 0.44926
190 1SAY PYR 1.033e-05 0.44878
191 2GSD NAD 0.000188 0.44838
192 1W8D NAP 0.001157 0.4474
193 1F8G NAD 0.001685 0.447
194 2OOR NAD 0.00177 0.44605
195 4DPL NAP 0.0005333 0.4456
196 4MDB RLT 0.009376 0.44559
197 2NXE SAM 0.003394 0.44371
198 1ZQ9 SAM 0.003409 0.44362
199 4BVA T3 3.847e-05 0.44296
200 1W73 NAP 0.001471 0.44292
201 2FR1 NDP 0.0004431 0.44291
202 2FKA BEF 0.0149 0.44242
203 4R5M NAP 0.0007699 0.44223
204 1YB5 NAP 2.087e-05 0.44142
205 1YB5 NAP 2.087e-05 0.44142
206 3EGI ADP 0.01387 0.44115
207 2ZB4 5OP 4.664e-05 0.44114
208 1M2W NAD 0.002292 0.44106
209 4BVA NDP 9.343e-06 0.44023
210 4R5M 4NO 0.0006516 0.43928
211 1LDN NAD 8.74e-06 0.43907
212 1M2W NAD 0.002145 0.43904
213 2NXE SAM 0.004404 0.43838
214 2WZM NA7 0.003737 0.43821
215 1Z82 NDP 0.00115 0.43814
216 1TB4 PEJ 0.0008295 0.43802
217 1MV8 NAD 2.089e-06 0.43739
218 4PLG OXM 5.225e-05 0.43715
219 4PLG NAI 5.225e-05 0.43715
220 1LDN NAD 1.092e-05 0.43621
221 1MV8 NAD 2.311e-06 0.43618
222 4CQM NAP 0.0009558 0.43559
223 2ZB4 NAP 5.942e-05 0.43502
224 2O4C NAD 1.39e-05 0.43488
225 2GZ3 NAP 0.0002413 0.43415
226 2GZ3 NAP 0.0002277 0.43402
227 1BXG NAD 4.679e-06 0.43391
228 2GLX NDP 0.002439 0.43349
229 1E3W NAD 0.001091 0.43332
230 2EWM NAD 0.0009395 0.4331
231 2GLX NDP 0.002531 0.4328
232 1OMO NAD 2.809e-06 0.4323
233 1GUZ NAD 8.926e-06 0.43218
234 2J8Z NAP 1.411e-05 0.43137
235 4IF4 BEF 0.018 0.43133
236 2GLX NDP 0.002786 0.43101
237 4CQM NAP 0.00126 0.43084
238 1T26 GBD 0.0001844 0.4307
239 1T26 NAI 0.0001844 0.4307
240 2GLX NDP 0.002872 0.43044
241 4CQM NAP 0.001307 0.43022
242 1SOW NAD 2.678e-05 0.42999
243 2IXB A2G 0.0003756 0.42975
244 2GLX NDP 0.003008 0.42957
245 1GV0 NAD 1.636e-05 0.42948
246 3M89 GSP 0.01351 0.42915
247 4K5S FAD 0.000868 0.42909
248 1QMG APX 0.003186 0.4285
249 1J49 NAD 1.36e-05 0.42841
250 2HK9 NAP 6.541e-06 0.42814
251 3CBG SAH 0.008563 0.42812
252 4IF4 BEF 0.02078 0.42791
253 4IF4 BEF 0.02078 0.42791
254 4FN4 NAD 0.001514 0.42769
255 4O0L NDP 0.001304 0.42756
256 4IDC NDP 5.219e-05 0.42657
257 4IDC 1XX 5.219e-05 0.42657
258 2VYN NAD 1.484e-05 0.42656
259 1U1I NAD 0.0008677 0.42654
260 4OOE NDP 0.00261 0.42638
261 1K1Y MAL 0.02689 0.42461
262 1K1Y MAL 0.02689 0.42461
263 3CIF NAD 1.768e-05 0.42455
264 3CIF NAD 1.768e-05 0.42455
265 1VL8 NAP 0.001146 0.42453
266 1VL8 NAP 0.001146 0.42453
267 2GLX NDP 0.003969 0.4244
268 4CQM NAP 0.001582 0.4243
269 3CIF NAD 1.382e-05 0.42428
270 1GEG NAD 0.001862 0.42414
271 1SC6 NAD 4.02e-05 0.42405
272 2QA1 FAD 0.000878 0.42387
273 2HK9 NAP 1.155e-05 0.42379
274 1J0X NAD 0.0003935 0.42297
275 2HK9 NAP 8.304e-06 0.42288
276 1P31 EPU 0.00946 0.42271
277 2EV9 SKM 5.554e-05 0.42263
278 2EV9 NAP 5.554e-05 0.42263
279 3FGZ BEF 0.03325 0.42164
280 1V9A SAH 0.01404 0.42108
281 3FGZ BEF 0.03308 0.421
282 2G5C NAD 3.146e-05 0.42089
283 2C29 NAP 0.00264 0.42073
284 1VKO NAD 0.001696 0.42058
285 3KLJ FAD 0.001467 0.42049
286 1QMG APX 0.00578 0.42021
287 1RYD NDP 0.0008606 0.41941
288 1TE2 PGA 0.03879 0.41915
289 1TE2 PGA 0.03879 0.41915
290 2YVF FAD 0.001099 0.41912
291 2YVF NAD 0.001155 0.41912
292 4NBU NAI 0.002152 0.41909
293 1P31 EPU 0.01137 0.41893
294 1H5Q NAP 0.002926 0.41893
295 3A28 NAD 0.002525 0.41891
296 1DLJ UGA 7.659e-05 0.41879
297 3FZG SAM 0.01564 0.41876
298 3G89 SAM 0.01845 0.4186
299 2GV8 NDP 0.005553 0.41813
300 3CIF G3H 0.0001109 0.41811
301 3G89 SAM 0.01889 0.41809
302 3CIF G3H 9.203e-05 0.41792
303 1DXY NAD 1.284e-05 0.4179
304 3CIF NAD 1.726e-05 0.4179
305 1DXY NAD 1.284e-05 0.4179
306 4JJF FE9 0.003648 0.41766
307 1DLJ NAI 8.568e-05 0.41732
308 3EGV SAH 0.01444 0.41716
309 2BD0 NAP 0.002095 0.41706
310 1GEG NAD 0.002854 0.4168
311 3WMX NAD 0.003308 0.41679
312 1BDB NAD 0.001901 0.41624
313 3JYN NDP 0.000125 0.41623
314 3CIF G3H 0.0001587 0.41572
315 3CIF G3H 0.0001587 0.41572
316 2RGJ FAD 0.001971 0.41565
317 1F06 NDP 0.0001287 0.41559
318 1F06 2NP 0.0001287 0.41559
319 1F06 2NP 0.0001287 0.41559
320 1F06 NDP 0.0001287 0.41559
321 1U7T NAD 0.004116 0.41552
322 2WW4 ADP 0.02494 0.4154
323 1GR0 NAD 0.0001226 0.41536
324 3CIF G3H 0.0001344 0.41528
325 2OHV NHL 0.03456 0.4152
326 1L5Y BEF 0.02919 0.4152
327 2GCG DGY 0.03581 0.41512
328 4NRB 2LX 0.03803 0.415
329 2H88 TEO 0.03547 0.41458
330 1E6W NAD 0.003266 0.41449
331 3OJO NAD 5.556e-06 0.41436
332 2YN4 39J 0.0427 0.41434
333 3H0L ADP 0.03067 0.41427
334 3M6W SAM 0.01931 0.41424
335 3M6W SAM 0.01931 0.41424
336 3SJU NDP 0.002879 0.41417
337 3SJU NDP 0.002879 0.41417
338 1L1E SAH 0.01443 0.41403
339 3LRE ADP 0.03398 0.4139
340 2DC1 NAD 3.081e-05 0.41323
341 2JAP NDP 0.003048 0.41321
342 1VQW FAD 0.0023 0.41312
343 3A28 NAD 0.003554 0.41303
344 1F06 NDP 7.951e-05 0.41298
345 3D3W NAP 0.002352 0.41275
346 3D3W NAP 0.002352 0.41275
347 2YGM GLA NAG GAL FUC 0.03839 0.41271
348 2NU8 COA 0.0007496 0.4126
349 2GV8 FAD 0.002058 0.41259
350 4JJF N2I 0.003691 0.41238
351 1XG5 NAP 0.003206 0.41235
352 1XG5 NAP 0.003206 0.41235
353 2NAD NAD 0.0002162 0.41227
354 2DVZ GLU 0.03346 0.41226
355 2DVZ GLU 0.03346 0.41226
356 4INW 1EY 0.01856 0.41189
357 1H5Q NAP 0.003307 0.41183
358 1H5Q NAP 0.003879 0.41153
359 2QRK AMP 0.0003828 0.4113
360 1DSS NAD 2.017e-05 0.41129
361 2A92 NAI 0.0001355 0.41074
362 1M98 SUC 0.04657 0.41056
363 1N5D NDP 0.003585 0.41046
364 1NVT NAP 1.899e-05 0.41018
365 2ZB3 NDP 9.1e-05 0.40998
366 2ZB3 NDP 9.1e-05 0.40998
367 4ITU NAI 0.002862 0.40953
368 2G5C NAD 4.528e-05 0.40944
369 1B8U OAA 0.0001279 0.40919
370 2DKN NAI 0.005187 0.40893
371 3LRE ADP 0.03964 0.40884
372 3LRE ADP 0.03964 0.40884
373 1H5T TYD 0.03376 0.40858
374 3FWN ATR 0.0001934 0.40846
375 5MDH NAD 4.755e-05 0.40819
376 1YRX FMN 0.02574 0.40806
377 2X3N FAD 0.001806 0.40796
378 2GCG DGY 0.04411 0.40787
379 3LZW FAD 0.001593 0.40774
380 1YRX FMN 0.03065 0.40744
381 2CFC NAD 0.005657 0.40742
382 1GY8 NAD 0.004315 0.40732
383 3CGD FAD 0.00444 0.40722
384 3CGD COA 0.00444 0.40722
385 3CGD NAD 0.00444 0.40722
386 1D6Z HY1 0.04652 0.40666
387 1IY8 NAD 0.004534 0.40649
388 3QV1 NAD 0.005975 0.40646
389 1GY8 NAD 0.004579 0.40632
390 3WMX NAD 0.00797 0.40622
391 3DXY SAM 0.03775 0.40605
392 4J36 FAD 0.0002717 0.4059
393 2YX1 SFG 0.03314 0.40571
394 2Q1W NAD 0.004146 0.40569
395 4BKU NAI 0.01433 0.40556
396 1GEE NAD 0.004905 0.40516
397 4KP7 1UQ 0.001901 0.40505
398 2B4Q NAP 0.005685 0.40495
399 2B4Q NAP 0.005685 0.40495
400 4PLT OXM 0.000134 0.40492
401 3JQA NAP 0.007577 0.40468
402 1EBF NAD 2.809e-05 0.40449
403 1IY8 NAD 0.005105 0.40448
404 3CIF NAD 5.32e-05 0.4042
405 3JQ7 NAP 0.00778 0.4042
406 3LU1 NAD 0.005252 0.404
407 3JQB NAP 0.007931 0.40386
408 4PLT NAI 0.0001028 0.40366
409 4NBT NAD 0.007107 0.40342
410 3BMO NAP 0.007204 0.40319
411 2IVD FAD 0.002815 0.40318
412 3ICC NAP 0.004975 0.40265
413 1O6Z NAD 3.203e-05 0.40254
414 1N1G BCP 0.0004204 0.40232
415 2Q46 NAP 0.01312 0.40204
416 3GDH SAH 0.01514 0.40186
417 3RC1 TLO 0.004028 0.40174
418 3JQF NAP 0.006947 0.4015
419 1WDK NAD 1.994e-05 0.40145
420 1RM0 NAI 0.0007933 0.40139
421 3BMQ NAP 0.006994 0.40139
422 2CUL FAD 0.003609 0.40137
423 3SSO SAH 0.02047 0.40123
424 3JQG NAP 0.009229 0.40117
425 1UWK NAD 0.0007872 0.40115
426 1UWK URO 0.0007872 0.40115
427 3GDH SAH 0.01377 0.40113
428 1GEE NAD 0.007242 0.40079
429 1GEE NAD 0.007242 0.40079
430 1ZBQ NAD 0.005622 0.40061
431 1Z45 NAD 0.00736 0.40051
432 4KP7 NAP 0.002296 0.40014
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)
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)
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