Receptor
PDB id Resolution Class Description Source Keywords
3NUG 1.79 Å EC: 1.1.1.107 CRYSTAL STRUCTURE OF WILD TYPE TETRAMERIC PYRIDOXAL 4-DEHYDR FROM MESORHIZOBIUM LOTI MESORHIZOBIUM LOTI PYRIDOXAL TPLDH 4-PYRIDOXOLACTONE SHORT CHAIN DEHYDROGENASE/REDUCTASE OXIDOREDUCTASE
Ref.: THE CRYSTAL STRUCTURE OF SDR-TYPE PYRIDOXAL 4-DEHYD OF MESORHIZOBIUM LOTI BIOSCI.BIOTECHNOL.BIOCHEM. V. 75 388 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY C:1;
Invalid;
none;
submit data
60.052 C2 H4 O2 CC(=O...
NAD A:251;
B:251;
C:251;
D:251;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NUG 1.79 Å EC: 1.1.1.107 CRYSTAL STRUCTURE OF WILD TYPE TETRAMERIC PYRIDOXAL 4-DEHYDR FROM MESORHIZOBIUM LOTI MESORHIZOBIUM LOTI PYRIDOXAL TPLDH 4-PYRIDOXOLACTONE SHORT CHAIN DEHYDROGENASE/REDUCTASE OXIDOREDUCTASE
Ref.: THE CRYSTAL STRUCTURE OF SDR-TYPE PYRIDOXAL 4-DEHYD OF MESORHIZOBIUM LOTI BIOSCI.BIOTECHNOL.BIOCHEM. V. 75 388 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3NUG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3NUG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (169)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3PJD ic50 = 380 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
2 1QSG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1DFG - NAD NDT n/a n/a
4 1I30 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1DFH - NAD TDB n/a n/a
6 1QG6 Kd = 22 pM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
7 4CV2 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
8 4D46 - J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
9 1C14 ic50 = 120 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
10 1LXC ic50 = 0.37 uM AYM C19 H20 N4 O Cn1c2ccccc....
11 1MFP ic50 = 0.07 uM IDN C22 H22 N4 O2 Cn1cc(c2c1....
12 4CV3 Ki = 7 nM VT4 C19 H25 N O2 CCCCCCC1=C....
13 1DFI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 1D8A - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
15 3PJE ic50 = 470 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
16 1LX6 - ZAM C22 H26 N4 O2 CC(=O)N(C)....
17 3PJF ic50 = 68500 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
18 1E3S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 2VZ0 Ki = 9.8 nM D64 C15 H14 N4 Cc1ccc(cc1....
20 3MCV Ki = 70 nM MCV C16 H18 N4 O2 S COc1ccc(c(....
21 3JQD Ki = 0.71 uM DX7 C13 H9 N5 O c1ccc(cc1)....
22 4BNK Ki = 1.42 nM FPL C12 H9 F O2 c1ccc(cc1)....
23 4ALI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
24 4CV0 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
25 4D41 Ki = 0.05 nM JA1 C18 H21 N O4 CCCCCCc1cc....
26 4BNG Ki = 0.04 nM 5PP C17 H20 O2 CCCCCc1ccc....
27 4BNL Ki = 110 pM W1G C15 H14 O2 C=CCc1ccc(....
28 4D45 Ki = 0.17 nM J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
29 4BNM - TCU C19 H24 O2 CCCCCCc1cc....
30 4ALK - GLU C5 H9 N O4 C(CC(=O)O)....
31 3GR6 Kd = 18.6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 4BNH Ki = 10 pM 6PN C18 H22 O2 CCCCCCc1cc....
33 4BNI Ki = 120 pM P1F C18 H23 N O2 CCCCCCc1cc....
34 4BNN Ki = 120 pM JUS C19 H21 N O2 CCCCCCc1cc....
35 4CV1 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
36 4BNJ Ki = 380 pM MJ5 C13 H12 O2 Cc1ccc(c(c....
37 4FS3 Ki = 12.8 nM 0WE C22 H23 N3 O3 Cc1c2ccccc....
38 4D44 Ki = 0.35 nM JA3 C13 H11 F2 N O2 CCc1cc(c(c....
39 4D43 Ki = 0.75 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
40 4ALJ - GLU C5 H9 N O4 C(CC(=O)O)....
41 4BNF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
42 4D42 Ki = 0.01 nM W0I C18 H21 F O2 CCCCCCc1cc....
43 1W4Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
44 5CPB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 5MTR Ki = 350 nM XT0 C21 H20 N4 O2 c1ccc(c(c1....
46 4BGI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 4OHU Ki = 0.2 nM 2TK C18 H21 Br O2 CCCCCCc1cc....
48 4OIM Ki = 2.14 nM JUS C19 H21 N O2 CCCCCCc1cc....
49 2IDZ Kd < 0.4 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
50 2AQH Kd = 14.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 4BII - PYW C27 H32 N4 O8 CC/C(=C1/C....
52 3FNG ic50 = 110 nM JPL C19 H20 Cl2 O2 c1cc(c(cc1....
53 2H9I - EAD C29 H36 N8 O15 P2 CCc1cc(ccn....
54 1ENY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 2NSD ic50 = 5.16 uM 4PI C20 H23 N O Cc1ccc(cc1....
56 2X23 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
57 5G0U ic50 = 0.297 uM 9CV C30 H31 F N6 O2 CNC(=O)c1c....
58 4TRN - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 2X22 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
60 4DQU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 2IE0 - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
62 4U0J ic50 = 10.66 uM 566 C17 H22 N2 O2 c1ccc(cc1)....
63 4COD ic50 = 34 nM KV1 C23 H27 N5 O4 CCc1cc(n(n....
64 5COQ Ki = 427.5 nM TCU C19 H24 O2 CCCCCCc1cc....
65 2AQ8 Kd = 2.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 4TZK ic50 = 0.39 uM 641 C17 H20 Cl2 N2 O2 c1c(cc(cc1....
67 4QXM ic50 = 0.05 uM 713 C20 H19 Cl F N3 O Cc1cc(n(n1....
68 4BGE - PYW C27 H32 N4 O8 CC/C(=C1/C....
69 2PR2 Ki = 130 nM DG1 C27 H33 N8 O18 P3 c1cnccc1C(....
70 2NTJ Ki = 2 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
71 5G0W ic50 = 16.3 uM 9NU C32 H40 N6 O5 C[C@H]([C@....
72 5MTP Ki = 610 nM 53K C22 H19 N3 O2 Cc1ccccc1O....
73 4TRJ ic50 = 0.89 uM 665 C17 H21 Br N2 O2 c1cc(cc(c1....
74 3FNF ic50 = 51 nM JPM C19 H14 Cl2 O2 c1ccc(cc1)....
75 4BQR ic50 = 0.2 uM IBH C16 H14 F2 N4 O2 S2 Cc1csc(n1)....
76 4BQP Kd = 13.7 nM VMY C18 H16 F2 N6 O S2 Cc1csc(n1)....
77 4OXK Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
78 5UGU Ki = 370 nM XTV C19 H16 N4 O2 c1ccc(c(c1....
79 4OYR Ki = 0.96 nM 1US C18 H21 Cl O2 CCCCCCc1cc....
80 4DTI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
81 3OF2 Kd = 4.7 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
82 3OEY Kd = 3.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
83 2AQI Kd = 32 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
84 5G0S ic50 = 0.065 uM EEH C33 H40 N4 O4 S Cc1c2ccccc....
85 2NV6 ic50 = 323 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
86 4U0K ic50 = 0.97 uM 744 C18 H23 Cl N2 O2 Cc1ccc(cc1....
87 4DRE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
88 4TRO Ki = 0.75 nM NAD ZID n/a n/a
89 2AQK Kd = 23 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
90 5G0V ic50 = 5.917 uM JDD C24 H28 N6 O2 CNC(=O)CN(....
91 5G0T ic50 = 0.057 uM S72 C29 H35 F N6 O3 Cc1c(nnn1C....
92 2NTV Ki = 11 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
93 4OXY Ki = 129 nM 1TN C18 H21 N O4 CCCCCCc1cc....
94 2IEB - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
95 3FNE ic50 = 29 nM 8PC C18 H13 Cl2 N O2 c1ccnc(c1)....
96 2B35 Ki = 0.22 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
97 4TZT ic50 = 23.12 uM 468 C18 H23 Cl N2 O2 Cc1c(cccc1....
98 4OXN Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
99 5CP8 Ki = 1570.6 nM TCU C19 H24 O2 CCCCCCc1cc....
100 3OEW Kd = 1.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
101 1D7O - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
102 1CWU - NAD TDB n/a n/a
103 1ENO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
104 4N5M - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
105 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
106 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
107 4BKU - 1S5 C19 H26 N2 O2 CCCCCCC1=C....
108 5I8W Ki = 55 nM 69H C19 H23 F O2 CCCCCCc1cc....
109 5I9M Ki = 55 nM 69K C14 H14 F N O2 CCc1cc(c(c....
110 5I8Z Ki = 158 nM JA1 C18 H21 N O4 CCCCCCc1cc....
111 5I7S Ki = 32 nM E9P C14 H14 O2 CCc1ccc(c(....
112 5I9L Ki = 153 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
113 2AE2 - PTO C8 H15 N O CN1[C@H]2C....
114 2WYV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
115 2WYW - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
116 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
117 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
118 1X1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
119 2ZTV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
120 1ZEM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
121 3LT4 Ki = 0.1 uM FB4 C12 H9 Cl2 N O2 c1cc(c(cc1....
122 3AM4 ic50 = 97 nM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
123 2O2Y Ki = 0.4 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
124 1VRW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
125 4IGE ic50 = 0.25 uM CHJ C16 H11 Cl O4 CC1=CC(=O)....
126 2OL4 ic50 = 440 nM JPN C21 H18 Cl2 O2 c1ccc(cc1)....
127 3LT0 Ki = 0.18 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
128 3AM5 Ki = 38 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
129 4IGF ic50 = 6 uM CHV C15 H9 Cl O5 c1cc2c(cc1....
130 1ZK1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
131 4JP3 - CIT C6 H8 O7 C(C(=O)O)C....
132 2WSB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
133 5CG1 - NAD BBN n/a n/a
134 5CG2 - NAD CJ3 n/a n/a
135 2Q2V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
136 2Q2Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
137 3NUG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
138 1G0O Ki = 14 nM PYQ C11 H11 N O c1cc2c3c(c....
139 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
140 4RF2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
141 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
142 5T2U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
143 4NBU - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
144 4KWH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
145 4OSO - 2V4 C19 H14 O6 C[C@]1(Cc2....
146 5L4N ic50 = 57 uM 6QT C15 H12 O4 c1cc(cc(c1....
147 2EWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
148 3AI3 - SOE C6 H12 O6 C1[C@@H]([....
149 3AI2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
150 4CR6 - MAN C6 H12 O6 C([C@@H]1[....
151 4ZA2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
152 3OIG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
153 1AHH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
154 3VDQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
155 5B4V - DXX C4 H6 O4 CC(C(=O)O)....
156 5B4U - MLA C3 H4 O4 C(C(=O)O)C....
157 5FF9 ic50 = 5230 uM AEF C8 H11 N O c1cc(ccc1C....
158 4O1M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
159 2DTE - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
160 3OID - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
161 2PD4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
162 2PD3 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
163 1EDO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
164 2QIO ic50 = 3.6 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
165 3OJF ic50 = 0.06 uM IMJ C23 H24 N4 O2 Cc1c(c2ccc....
166 4Q9N ic50 = 0.95 uM 0WE C22 H23 N3 O3 Cc1c2ccccc....
167 5THQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
168 3QWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
169 3AFN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 3NUG; Ligand: NAD; Similar sites found: 540
This union binding pocket(no: 1) in the query (biounit: 3nug.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Z28 BTN 0.02302 0.40991 None
2 5FTW SAH 0.00188 0.43554 0.809717
3 5H81 NAP 0.001575 0.43536 1.21457
4 3GRU AMP 0.001452 0.43344 1.21457
5 2DPM SAM 0.007077 0.4074 1.21457
6 1QAN SAH 0.0003516 0.46321 1.22951
7 4YMH SAH 0.002685 0.42879 1.25
8 2F1K NAP 0.0001719 0.46081 1.61943
9 1CER NAD 0.001133 0.42822 1.61943
10 4XB2 HSE 0.002825 0.40328 1.61943
11 4XB2 NDP 0.0007716 0.40138 1.61943
12 3MQ2 SAH 0.007445 0.41925 1.83486
13 1YFZ IMP 0.04423 0.40464 1.95122
14 3LU1 NAD 0.0000000001748 0.67701 2.02429
15 4U7W NDP 0.000000005542 0.59721 2.02429
16 1SB8 NAD 0.000000002727 0.51552 2.02429
17 2HK9 ATR 0.0002543 0.50918 2.02429
18 1A5Z NAD 0.00004186 0.50273 2.02429
19 1LTH NAD 0.00002538 0.50259 2.02429
20 1SB8 UD2 0.000000001753 0.50159 2.02429
21 4C4A SAH 0.0002652 0.47699 2.02429
22 3A25 SAM 0.0032 0.43249 2.02429
23 1G60 SAM 0.003422 0.4276 2.02429
24 2HK9 NAP 0.001475 0.42367 2.02429
25 4CVN ADP 0.02005 0.41697 2.02429
26 1N2X SAM 0.003692 0.41641 2.02429
27 5LD5 NAD 0.004006 0.41492 2.02429
28 3QOX SAH 0.004447 0.41301 2.02429
29 2VN9 GVD 0.02642 0.41069 2.02429
30 1H2B NAJ 0.001408 0.40526 2.02429
31 1TZD ADP 0.04872 0.4036 2.02429
32 1U8X NAD 0.00491 0.40286 2.02429
33 2V7O DRN 0.03783 0.40247 2.02429
34 1T26 NAI 0.0002022 0.40054 2.02429
35 1NYT NAP 0.0009267 0.43488 2.21402
36 4PVD NDP 0.00000002287 0.61498 2.42915
37 1RPN NDP 0.0000000379 0.54704 2.42915
38 3O7W SAM 0.00143 0.46132 2.42915
39 3MB5 SAM 0.0003879 0.45751 2.42915
40 5THY SAH 0.0009806 0.44787 2.42915
41 5ULP KB1 0.0008627 0.43947 2.42915
42 3CGD COA 0.003259 0.43488 2.42915
43 3CGD FAD 0.003259 0.43488 2.42915
44 4GKV NAD 0.0001527 0.43455 2.42915
45 3GCZ SAM 0.00328 0.43201 2.42915
46 3OJO NAD 0.001835 0.42918 2.42915
47 1WP4 NDP 0.001002 0.4273 2.42915
48 2BH9 NAP 0.009017 0.41889 2.42915
49 1YS4 NAP 0.004062 0.41774 2.42915
50 4KRI SAH 0.006958 0.41073 2.42915
51 1Q0S SAH 0.005161 0.40742 2.42915
52 2CVZ NDP 0.004179 0.40565 2.42915
53 2TOH HBI 0.04021 0.405 2.42915
54 5FJN FAD 0.005119 0.40443 2.42915
55 5FJN BE2 0.006727 0.40251 2.42915
56 3HYW DCQ 0.04113 0.40055 2.42915
57 2OYS FMN 0.0107 0.40256 2.47934
58 5E8J SAH 0.0003953 0.48831 2.5641
59 3CBG SAH 0.01361 0.40706 2.58621
60 2EJU SAH 0.00205 0.44127 2.6455
61 2VT3 ATP 0.003545 0.44661 2.7907
62 2X6T NAP 0.0000001194 0.56985 2.83401
63 1EQ2 NAP 0.0000003044 0.55448 2.83401
64 2CDU ADP 0.0007025 0.46676 2.83401
65 2UYQ SAM 0.004408 0.45747 2.83401
66 5F8F SFG 0.00201 0.44978 2.83401
67 4RDH AMP 0.002573 0.4447 2.83401
68 4N49 SAM 0.00144 0.44059 2.83401
69 1VKO NAD 0.000285 0.43447 2.83401
70 3LKZ SFG 0.002496 0.4337 2.83401
71 5JE8 NAD 0.00108 0.4322 2.83401
72 4DMG SAM 0.007191 0.43139 2.83401
73 3FUU ADN 0.004265 0.42334 2.83401
74 2A92 NAI 0.0005874 0.42282 2.83401
75 1OMO NAD 0.003142 0.41633 2.83401
76 2Y6Q FAD 0.00105 0.41366 2.83401
77 1P31 EPU 0.009821 0.41035 2.83401
78 2CDU FAD 0.0005319 0.40648 2.83401
79 5MW4 5JU 0.003255 0.40345 2.83401
80 1IGW PYR 0.04463 0.40229 2.83401
81 4E5N NAD 0.003151 0.4002 2.83401
82 2DC1 NAD 0.001342 0.42233 2.9661
83 3I7V ATP 0.02746 0.42299 2.98507
84 3P2E SAH 0.005208 0.41623 3.11111
85 5IN4 6CK 0.00000462 0.58971 3.23887
86 5IN4 NAP 0.000004782 0.58946 3.23887
87 5IN4 GDP 0.000005412 0.58572 3.23887
88 2Q1S NAI 0.0000002963 0.57078 3.23887
89 2PZM UDP 0.0000006864 0.55654 3.23887
90 1V6A TRE 0.0005595 0.50624 3.23887
91 1SQF SAM 0.0003989 0.47352 3.23887
92 2PZM NAD 0.0000006864 0.47199 3.23887
93 4D79 ATP 0.0006985 0.46249 3.23887
94 1O6Z NAD 0.000267 0.46047 3.23887
95 2YX1 SFG 0.002261 0.45169 3.23887
96 4M37 SAH 0.001357 0.44548 3.23887
97 4M38 SAH 0.001479 0.44009 3.23887
98 3A27 SAM 0.002895 0.43447 3.23887
99 1EZ4 NAD 0.0002305 0.42821 3.23887
100 2ZWA SAH 0.002799 0.42467 3.23887
101 2HW1 FRU 0.02115 0.42259 3.23887
102 5XVQ SAH 0.002687 0.42221 3.23887
103 2I3G NAP 0.0008092 0.42218 3.23887
104 3C6K MTA 0.001528 0.41828 3.23887
105 5UAV TFB 0.001764 0.41591 3.23887
106 5UAV NDP 0.001764 0.41591 3.23887
107 3VYW SAM 0.005409 0.41551 3.23887
108 2BRY FAD 0.001552 0.41431 3.23887
109 5TH5 MET 0.03325 0.40939 3.23887
110 1E5Q NDP 0.002567 0.40863 3.23887
111 3C6K SPD 0.001311 0.40349 3.23887
112 2DKH FAD 0.001775 0.40066 3.23887
113 2BKA NDP 0.000001237 0.53616 3.30579
114 2DT5 NAD 0.0008484 0.42712 3.31754
115 2OL1 UMP 0.01984 0.40259 3.40136
116 3LCC SAH 0.00281 0.43888 3.40426
117 3GXO SAH 0.02211 0.40363 3.52304
118 5MDH NAD 0.00003305 0.48523 3.64372
119 1I2B UPG 0.001105 0.47154 3.64372
120 1I2B USQ 0.001105 0.47154 3.64372
121 4MDH NAD 0.00007911 0.47041 3.64372
122 3X0D SAH 0.0006197 0.46061 3.64372
123 1I2B NAD 0.0000000746 0.45839 3.64372
124 3PT9 SAH 0.001049 0.45447 3.64372
125 1G55 SAH 0.001094 0.44963 3.64372
126 3ICT ADP 0.004157 0.44319 3.64372
127 3EVG SAH 0.002391 0.43824 3.64372
128 1U6R IOM 0.01524 0.43812 3.64372
129 3ICS ADP 0.005919 0.43558 3.64372
130 2PT9 2MH 0.0002993 0.42513 3.64372
131 2I7C AAT 0.0004589 0.42276 3.64372
132 3BAZ NAP 0.002054 0.42088 3.64372
133 4L8V NAP 0.001056 0.42063 3.64372
134 2PT9 S4M 0.002366 0.41839 3.64372
135 5U5G NAP 0.0009352 0.41373 3.64372
136 4M73 SAH 0.002037 0.41353 3.64372
137 4D3F NAP 0.0002033 0.41337 3.64372
138 3ICR FAD 0.002345 0.41234 3.64372
139 3ZNN FAD 0.006469 0.41111 3.64372
140 5G3U ITW 0.004111 0.41003 3.64372
141 2O07 MTA 0.003116 0.40801 3.64372
142 5G3U FDA 0.003748 0.40564 3.64372
143 2GCG DGY 0.0481 0.40231 3.64372
144 1LLU NAD 0.001567 0.40034 3.64372
145 4BCQ TJF 0.01858 0.41467 3.65448
146 5BW4 SAM 0.0006065 0.4023 3.74532
147 3BXO SAM 0.006019 0.43111 3.76569
148 3KIF GDL 0.04114 0.40438 3.77358
149 4JK3 NAD 0.001993 0.41846 3.861
150 4J4H 1J1 0.00782 0.40079 3.861
151 1WY7 SAH 0.001999 0.43092 3.86473
152 1IV2 CDP 0.02323 0.40259 3.94737
153 1VE3 SAM 0.005789 0.42079 3.96476
154 1WVG APR 0.00000004705 0.60872 4.04858
155 1ORR NAD 0.000000002753 0.60779 4.04858
156 4E13 NAD 0.0002821 0.47145 4.04858
157 1SOW NAD 0.00007627 0.45509 4.04858
158 1I9G SAM 0.001185 0.44428 4.04858
159 3GU3 SAH 0.01064 0.427 4.04858
160 2Z9I GLY ALA THR VAL 0.01941 0.42656 4.04858
161 2P41 SAH 0.004542 0.42558 4.04858
162 3QDK QDK 0.02877 0.41228 4.04858
163 5KMS NAD 0.006974 0.4105 4.04858
164 1F8F NAD 0.004108 0.40868 4.04858
165 4Q6R SIN 0.03773 0.40782 4.04858
166 5A0U CHT 0.03632 0.40731 4.04858
167 1JQ3 AAT 0.001534 0.40386 4.04858
168 5KMS FAD 0.003963 0.40252 4.04858
169 2EG5 SAH 0.0233 0.40252 4.04858
170 2DBZ NAP 0.004286 0.40005 4.04858
171 5FA8 SAM 0.003117 0.4195 4.34783
172 1GY8 NAD 0.000000006913 0.61069 4.45344
173 1Y1P NMN AMP PO4 0.0000002629 0.5905 4.45344
174 2JJQ SAH 0.001531 0.45989 4.45344
175 1NW5 SAM 0.0008657 0.45415 4.45344
176 1Y8Q ATP 0.0009077 0.43856 4.45344
177 2EXX NAP 0.0001338 0.43826 4.45344
178 5HJM MTA 0.002729 0.43197 4.45344
179 1ZMD NAI 0.001239 0.42977 4.45344
180 1KYZ SAH 0.004831 0.42437 4.45344
181 4PLG NAI 0.0001373 0.424 4.45344
182 4KRG SAH 0.005886 0.42399 4.45344
183 1JPA ANP 0.02295 0.41681 4.45344
184 1HDG NAD 0.003182 0.41318 4.45344
185 4KXQ APR 0.006119 0.41011 4.45344
186 3LST SAH 0.01683 0.40942 4.45344
187 1X14 NAD 0.01518 0.40485 4.45344
188 2PX8 SAH 0.01386 0.40353 4.45344
189 4PLG OXM 0.02031 0.40233 4.45344
190 5F5N NAD 0.00001005 0.47721 4.49827
191 2PXX SAH 0.002563 0.43319 4.65116
192 2YY7 NAD 0.0000000003473 0.659 4.8583
193 3A4V NAD 0.0000000001906 0.62162 4.8583
194 3A4V PYR 0.0000000001906 0.62162 4.8583
195 2V6G NAP 0.000001864 0.52028 4.8583
196 2C5A NAD 0.000000009302 0.48051 4.8583
197 2C5A GDC 0.000000009302 0.48051 4.8583
198 5KKA 6V0 0.00006427 0.4647 4.8583
199 2PWY SAH 0.0002741 0.46384 4.8583
200 1V59 NAD 0.003237 0.44857 4.8583
201 3G89 SAM 0.003138 0.44481 4.8583
202 1HYH NAD 0.0004022 0.43348 4.8583
203 1FP1 SAH 0.004594 0.43278 4.8583
204 3LKF PC 0.01999 0.4252 4.8583
205 5GM1 SAH 0.005533 0.40902 4.8583
206 1O0S NAI 0.006068 0.40734 4.8583
207 2OWZ CIT 0.03977 0.40633 4.8583
208 5VN0 NAI 0.004173 0.40568 4.8583
209 2QA1 FAD 0.0009722 0.40178 4.8583
210 2NXE SAM 0.01526 0.40161 4.8583
211 3IHG FAD 0.003381 0.4015 4.8583
212 1RKX NAD 0.000000001472 0.63568 5.26316
213 2Q1W NAD 0.0000001278 0.55631 5.26316
214 4EUE NAI 0.000001881 0.51406 5.26316
215 1P77 ATR 0.001344 0.48387 5.26316
216 2CVQ NDP 0.0004081 0.43934 5.26316
217 5JJR SAH 0.002328 0.43877 5.26316
218 1UXG NAD 0.00007344 0.42915 5.26316
219 4YCA NDP 0.001539 0.42292 5.26316
220 2R4J 13P 0.005091 0.41229 5.26316
221 2WK1 SAH 0.009425 0.40496 5.26316
222 3NTD FAD 0.004776 0.4016 5.26316
223 2VDV SAM 0.0002675 0.49651 5.28455
224 4QTU SAM 0.001257 0.44696 5.28846
225 3DUW SAH 0.007313 0.41291 5.38117
226 4POO SAM 0.005377 0.40669 5.5
227 1I0Z NAI 0.00003293 0.47758 5.66802
228 5JAQ NAI 0.00005441 0.47745 5.66802
229 1LDM NAD 0.00007144 0.46486 5.66802
230 4OBW SAM 0.002039 0.44138 5.66802
231 3V1Y NAD 0.0005918 0.43945 5.66802
232 1DSS NAD 0.001075 0.43228 5.66802
233 2ZIF SAM 0.002748 0.43184 5.66802
234 3CIF NAD 0.0007834 0.42846 5.66802
235 1J49 NAD 0.001225 0.42099 5.66802
236 1EBF NAD 0.002619 0.41958 5.66802
237 3H9E NAD 0.002086 0.41767 5.66802
238 1IM8 SAI 0.00537 0.41564 5.66802
239 2B4R NAD 0.001278 0.4148 5.66802
240 5BUK FAD 0.003154 0.41454 5.66802
241 4CUB GAL NAG 0.01993 0.40837 5.66802
242 4KOA NDP 0.01378 0.4068 5.66802
243 1GAD NAD 0.004692 0.40365 5.66802
244 2B4R AES 0.00298 0.40358 5.66802
245 1LSS NAD 0.000173 0.48071 5.71429
246 3GDH SAH 0.0005231 0.44843 5.80913
247 2UVO NDG 0.03612 0.41025 5.84795
248 2WEL K88 0.02069 0.42184 6
249 4II2 ATP 0.002263 0.43203 6.0241
250 4RJD TFP 0.03777 0.40292 6.06061
251 4PIV NDP 0.0000001474 0.56127 6.07287
252 2HJR APR 0.000007521 0.52938 6.07287
253 1N7G GDR 0.0000003882 0.43508 6.07287
254 1U1I NAD 0.0002098 0.43078 6.07287
255 3I6I NDP 0.0001946 0.41514 6.07287
256 1N7G NDP 0.0000002464 0.40597 6.07287
257 2Q0L NAP 0.02116 0.40125 6.07287
258 3JV7 NAD 0.003633 0.40032 6.07287
259 2HMT NAI 0.00004539 0.50123 6.25
260 4MO2 FDA 0.00338 0.40627 6.25
261 4FBL SPD 0.03093 0.40709 6.40569
262 4ZGS NAD 0.0008925 0.40183 6.47668
263 3A4T SFG 0.0002656 0.46842 6.47773
264 1PL6 NAD 0.0003341 0.46825 6.47773
265 1WDK NAD 0.0003436 0.45972 6.47773
266 2PV7 NAD 0.0002858 0.4486 6.47773
267 1DJN ADP 0.001451 0.43346 6.47773
268 5T9F TYR 0.0007443 0.43139 6.47773
269 1MV8 NAD 0.000945 0.43136 6.47773
270 3S1S SAH 0.002102 0.4267 6.47773
271 5T9F NAP 0.0009753 0.4257 6.47773
272 1X7D NAD 0.001609 0.41644 6.47773
273 1NW4 IMH 0.01229 0.41606 6.47773
274 1MUU NAD 0.002955 0.41448 6.47773
275 1PL6 572 0.001431 0.40872 6.47773
276 5T9E NAP 0.001352 0.40262 6.47773
277 4CJX NAP 0.006104 0.4017 6.47773
278 2XVM SAH 0.0002556 0.49747 6.53266
279 2XYQ SAH 0.001473 0.44778 6.55738
280 3EGI ADP 0.002922 0.46591 6.79612
281 5MSO NAP 0.000000006626 0.58896 6.88259
282 1B8U NAD 0.0001297 0.48616 6.88259
283 1KEW TYD 0.00000002059 0.48369 6.88259
284 1KEW NAD 0.00000006863 0.46658 6.88259
285 4DCM SAM 0.002926 0.44206 6.88259
286 1HYE NAP 0.002068 0.42699 6.88259
287 1ZGA SAH 0.01062 0.41916 6.88259
288 2Q28 ADP 0.005923 0.41699 6.88259
289 1BC5 SAH 0.00399 0.415 6.88259
290 1B8U OAA 0.001594 0.40669 6.88259
291 1F3L SAH 0.008348 0.40432 6.88259
292 4A6D SAM 0.01265 0.40227 6.88259
293 3B20 NAD 0.00762 0.40043 6.88259
294 2D2I NAP 0.009005 0.40011 6.88259
295 2WG9 OCA 0.04657 0.40145 6.92308
296 3OFK SAH 0.002183 0.42929 6.94444
297 2FR1 NDP 0.000000001379 0.62736 7.20165
298 1JG3 ADN 0.01545 0.40137 7.23404
299 1VL0 NAI 0.0000000004918 0.6889 7.28745
300 3KO8 NAD 0.0000000003472 0.64886 7.28745
301 9LDB NAD 0.00004733 0.46804 7.28745
302 9LDT NAD 0.00005149 0.46668 7.28745
303 4RQU NAD 0.0008219 0.42765 7.28745
304 4FZV SAM 0.0001011 0.41826 7.28745
305 5DXA SFG 0.004545 0.41262 7.28745
306 5DX8 SFG 0.0046 0.4124 7.28745
307 4OPC FDA 0.01871 0.40979 7.28745
308 3TKA SAM 0.008701 0.40648 7.28745
309 4J36 FAD 0.001756 0.40136 7.28745
310 3DXY SAM 0.006439 0.43377 7.33945
311 3EGV SAH 0.01309 0.40785 7.48299
312 1GV0 NAD 0.000041 0.47398 7.69231
313 1GUZ NAD 0.00005871 0.47172 7.69231
314 3B1F NAD 0.0002492 0.46961 7.69231
315 1UWK NAD 0.0002795 0.45683 7.69231
316 1DXY NAD 0.00157 0.42258 7.69231
317 3M6W SAM 0.008287 0.42063 7.69231
318 5U8U FAD 0.01436 0.40156 7.69231
319 3HQP OXL 0.04954 0.40119 7.69231
320 5MPT SAH 0.0002976 0.47929 8.09717
321 1X87 NAD 0.0001884 0.47067 8.09717
322 3VPH NAD 0.0003097 0.42834 8.09717
323 3VPH OXM 0.0002488 0.42318 8.09717
324 5U97 PIT 0.01856 0.40734 8.09717
325 2YVJ NAI 0.003196 0.43252 8.25688
326 4TQG NDP 0.00000000313 0.63598 8.50202
327 4NEC SAH 0.001116 0.46187 8.50202
328 2IZ1 ATR 0.006643 0.44319 8.50202
329 3SSO SAH 0.002188 0.43267 8.50202
330 4K28 NAD 0.001548 0.42586 8.50202
331 4J51 N75 0.0388 0.4051 8.50202
332 5DN9 NAD 0.003675 0.40025 8.50202
333 2D3Y DU 0.004215 0.42587 8.6758
334 3MJE NDP 0.000000000282 0.66915 8.90688
335 1UP7 NAD 0.0006588 0.44089 8.90688
336 2VUT NAD 0.002999 0.42669 8.90688
337 4OOE NDP 0.001473 0.42369 8.90688
338 5JCA FAD 0.002002 0.42032 8.90688
339 5JCA NDP 0.004506 0.42032 8.90688
340 4YSX FAD 0.003864 0.40721 8.97436
341 1R18 SAH 0.002402 0.42751 9.2511
342 1EJ0 SAM 0.001098 0.45358 9.31174
343 3OA2 NAD 0.001062 0.42337 9.31174
344 3C3Y SAH 0.005962 0.41686 9.31174
345 1TH8 ADP 0.0233 0.40964 9.48276
346 4X9M FAD 0.001074 0.42871 9.7166
347 3AB4 THR 0.01371 0.42141 9.7166
348 1E1M FAD 0.003508 0.41958 9.7166
349 4AZW SAM 0.008974 0.40894 9.7166
350 4AZT SAM 0.01213 0.40617 9.7166
351 1DEK DGP 0.01585 0.40086 9.7166
352 1V35 NAI 0.00000007855 0.50934 10.1215
353 3TLJ SAH 0.0008413 0.4434 10.1215
354 2JHF NAD 0.01844 0.42005 10.1215
355 3GFB NAD 0.001813 0.41722 10.1215
356 3NJ4 AFX 0.02369 0.41109 10.1215
357 3NJ4 NAD 0.02458 0.41039 10.1215
358 5CAE COA 0.005108 0.40761 10.1215
359 2GZ3 NAP 0.001525 0.40097 10.1215
360 3WMX NAD 0.000000004238 0.64409 10.5263
361 4GLL NAD 0.000000001786 0.62305 10.5263
362 1E7S NAP 0.00000001901 0.58619 10.5263
363 3H8V ATP 0.0005886 0.46586 10.5263
364 1NVM NAD 0.002676 0.40285 10.5263
365 5L95 AMP 0.0004297 0.40048 10.5263
366 5MGZ SAH 0.01336 0.40121 10.5932
367 2DTJ THR 0.01468 0.41989 10.6742
368 3ORF NAD 0.0000004914 0.55157 10.9312
369 3VSE SAH 0.003826 0.44497 10.9312
370 4RSL FAD 0.0001701 0.42576 10.9312
371 1DRV A3D 0.008743 0.40346 10.9312
372 3JWH SAH 0.004058 0.4437 11.0599
373 2C29 NAP 0.000000193 0.48565 11.336
374 2C29 DQH 0.0000005754 0.47167 11.336
375 1ZQ9 SAM 0.00205 0.44127 11.336
376 1O94 ADP 0.001274 0.43249 11.336
377 1KYQ NAD 0.004794 0.42812 11.336
378 5J60 FAD 0.001336 0.42504 11.336
379 1LVL NAD 0.003737 0.42252 11.336
380 3T2W BTN 0.01417 0.42067 11.4754
381 1HDO NAP 0.000001465 0.50626 11.6505
382 1Z45 NAD 0.000000002934 0.6307 11.7409
383 4ZRN NAD 0.0000000009297 0.61521 11.7409
384 4ZRN UPG 0.000000009219 0.49573 11.7409
385 1RJD SAM 0.004049 0.421 11.7409
386 3G2O SAM 0.001869 0.44309 12.1457
387 1SAY PYR 0.001557 0.40068 12.1457
388 1BXK NAD 0.000000004815 0.62879 12.5506
389 5FA5 MTA 0.0002715 0.4909 12.5506
390 4GQB 0XU 0.0005589 0.44725 12.5506
391 1BW9 NAD 0.001239 0.43982 12.5506
392 1C1X NAD 0.0007495 0.43536 12.5506
393 1BXG NAD 0.001304 0.42579 12.5506
394 1J5P NAD 0.002395 0.41249 12.5506
395 1OC2 TDX 0.00000005166 0.45416 12.9555
396 1OC2 NAD 0.00000005166 0.45416 12.9555
397 1VJT NAD 0.003605 0.42659 12.9555
398 3ABI NAD 0.00001816 0.48735 13.3603
399 4RPL FAD 0.004375 0.4222 13.3603
400 4RPL 3UC 0.009173 0.41083 13.3603
401 2PRG BRL 0.01893 0.40038 13.6364
402 4K7O EKZ 0.02599 0.40796 13.6905
403 3GGO ENO 0.0001753 0.46031 14.17
404 2G5C NAD 0.0008845 0.42354 14.17
405 3GGO NAI 0.0001753 0.40859 14.17
406 1R37 NAD 0.001523 0.4005 14.17
407 5K7U SAM 0.003117 0.43301 14.2222
408 3EW2 BTN 0.02887 0.40487 14.8148
409 5IL1 SAM 0.001407 0.44869 15.0943
410 2Q46 NAP 0.0000001622 0.57007 15.3846
411 2DFV NAD 0.001204 0.42418 15.3846
412 1D1T NAD 0.001249 0.41098 15.3846
413 1LDN NAD 0.00009252 0.45722 16.1943
414 2JL1 NAP 0.0001469 0.47942 16.5992
415 1NVT NAP 0.003508 0.41435 16.7247
416 4J1Q NDP 0.000000001192 0.62039 17.004
417 1FK8 NAD 0.0000000001778 0.70678 18.2186
418 4HXY NDP 0.0000000002425 0.66481 18.2186
419 5L4L NAP 0.000001955 0.49612 18.6235
420 5L4L 7OX 0.00003306 0.48303 18.6235
421 4GGZ BTN 0.01665 0.41326 19.1304
422 3Q87 SAM 0.003717 0.41629 19.2
423 2VYN NAD 0.003409 0.40389 19.4332
424 5L4S NAP 0.0000000002178 0.68086 19.8381
425 5L4S 6KX 0.0000000002178 0.68086 19.8381
426 5L53 NAP 0.00000000007128 0.61784 19.8381
427 4R1S NAP 0.0000000002412 0.6936 20.6478
428 1J0X NAD 0.00537 0.40456 20.6478
429 2PK3 A2R 0.00000003338 0.65031 22.2672
430 3O26 NDP 0.00000000001403 0.70357 22.6721
431 3DMH SAM 0.002452 0.43051 24.2915
432 3DMH GMP 0.002097 0.41474 24.2915
433 4XUC 43G 0.002818 0.40581 24.7706
434 4XUC SAM 0.002818 0.40581 24.7706
435 1UDB NAD 0.00000002525 0.47795 25.1012
436 1PZG A3D 0.0001581 0.42193 25.1012
437 1WMA NDP 0.0000000006124 0.55486 25.9109
438 1WMA AB3 0.0000000006124 0.55486 25.9109
439 1N5D NDP 0.00000000006654 0.68569 28.3401
440 1R6D NAD 0.00000001654 0.63318 29.1498
441 1R6D DAU 0.00000005386 0.61129 29.1498
442 1EK6 NAI 0.00000001017 0.47962 30.7692
443 1EK6 UPG 0.00000004801 0.45565 30.7692
444 3RFV NAI 0.000000006415 0.63035 31.5789
445 3RFV 15L 0.0000003812 0.56637 31.5789
446 3RJ5 NAD 0.0000000001138 0.61315 31.9838
447 1SNY NAP 0.000000007534 0.63415 33.6032
448 5GT9 NAP 0.0000000003546 0.65867 34.0081
449 2BD0 NAP 0.000000000001898 0.73085 34.8361
450 4J7U NAP 0.000000008106 0.63007 35.6275
451 4J7U YTZ 0.000000008106 0.63007 35.6275
452 1Z6Z NAP 0.000000005703 0.61978 35.6275
453 3WXB NDP 0.00000000002939 0.69889 36.0324
454 4YAG NAI 0.00000000001693 0.73431 37.6518
455 1OAA OAA 0.0000000007315 0.55585 37.6518
456 3HB5 NAP 0.00000000006342 0.55212 38.4615
457 1A27 NAP 0.0000000004342 0.66206 38.8664
458 1XSE NDP 0.00000000001074 0.62747 38.8664
459 3TN7 NJP 0.000000000008325 0.71926 40.4858
460 4K26 NDP 0.00000000005678 0.68825 40.8907
461 4K26 SFF 0.0000000002526 0.59381 40.8907
462 2JAH NDP 0.000000000004097 0.73072 41.2955
463 1H5Q NAP 0.0000000000003103 0.7724 42.1053
464 4O0L NDP 0.000000000006806 0.72252 42.1053
465 2JAP NDP 0.000000000002909 0.73625 42.915
466 1XG5 NAP 0.0000000001237 0.67568 42.915
467 2DKN NAI 0.000000000002754 0.75343 43.7247
468 1BDB NAD 0.0000000001019 0.65828 43.7247
469 3H4V DVP 0.0000000007982 0.66922 44.5344
470 3H4V NAP 0.000000003532 0.6423 44.5344
471 2GDZ NAD 0.00000000000002354 0.82337 44.9393
472 1MXH NAP 0.000000005288 0.56022 44.9393
473 1MXH DHF 0.000000005307 0.56001 44.9393
474 3GEG NAD 0.000000000001701 0.77018 45.3441
475 3ZV6 NAD 0.00000000001396 0.61724 45.3441
476 3ZV6 4HB 0.00000000001583 0.60824 45.3441
477 4QED NAP 0.000000000005164 0.73483 45.749
478 4FC7 COA 0.00000000002874 0.72536 45.749
479 2B4Q NAP 0.00000000005391 0.69632 45.749
480 4FC7 NAP 0.00000000002874 0.5967 45.749
481 1UAY ADN 0.00000007349 0.66859 45.8678
482 4CLO NAP 0.0000000003747 0.67858 46.5587
483 4CME NAP 0.0000000003155 0.67428 46.5587
484 3BMQ NAP 0.0000000002915 0.66861 46.5587
485 3JQF NAP 0.0000000003519 0.66552 46.5587
486 4CM8 NAP 0.0000000005742 0.66429 46.5587
487 4CM4 NAP 0.0000000005959 0.66367 46.5587
488 5JCJ NAP 0.0000000006597 0.66197 46.5587
489 3BMO NAP 0.0000000006725 0.66165 46.5587
490 3JQ8 NAP 0.0000000004625 0.66103 46.5587
491 3BMN NAP 0.0000000004922 0.66001 46.5587
492 5JDC NAP 0.0000000008074 0.6586 46.5587
493 2WD7 NAP 0.000000000811 0.65852 46.5587
494 5K6A NAP 0.0000000002555 0.65733 46.5587
495 4CM9 NAP 0.0000000002688 0.65668 46.5587
496 3JQ7 NAP 0.000000001374 0.65652 46.5587
497 4CMI NAP 0.0000000009743 0.65546 46.5587
498 3JQ9 NAP 0.00000000066 0.65519 46.5587
499 3JQA NAP 0.000000001562 0.65434 46.5587
500 3JQG NAP 0.000000001678 0.65312 46.5587
501 3JQB NAP 0.000000001983 0.65029 46.5587
502 4CLR NAP 0.0000000006674 0.63565 46.5587
503 5JDI NAP 0.0000000007153 0.63469 46.5587
504 5JCJ 6JM 0.005973 0.44936 46.5587
505 2WD7 VGD 0.006084 0.43521 46.5587
506 4CME KTZ 0.01013 0.42809 46.5587
507 3BMO AX4 0.01854 0.42451 46.5587
508 3JQB DX6 0.01932 0.4221 46.5587
509 3JQ9 AX1 0.01748 0.42009 46.5587
510 4CM4 4NR 0.02584 0.41345 46.5587
511 3JQ8 DX3 0.04475 0.40259 46.5587
512 4CM8 IZ9 0.02888 0.40131 46.5587
513 1W8D NAP 0.000000000005234 0.77809 46.9636
514 1W73 NAP 0.00000000001113 0.76458 46.9636
515 2CFC NAD 0.00000000000004896 0.82072 47.3684
516 3CH6 NAP 0.0000000004203 0.70726 47.3684
517 1GZ6 NAI 0.0000000004089 0.65637 47.3684
518 3CH6 311 0.0000000004203 0.4819 47.3684
519 2CFC KPC 0.04352 0.40487 47.3684
520 1U7T NAD 0.00000000000006684 0.82515 47.7733
521 1U7T TDT 0.0000000000003197 0.66352 47.7733
522 1E3W NAD 0.00000000000004163 0.81396 48.1781
523 1E6W NAD 0.00000000000004186 0.81388 48.1781
524 3V1U NAD 0.0000000000004547 0.81171 48.1781
525 3D3W NAP 0.00000000001541 0.71478 48.3607
526 1PR9 NAP 0.0000000000064 0.69996 48.3607
527 1W6U NAP 0.000000000004573 0.78051 48.583
528 1AE1 NAP 0.00000000002441 0.68042 48.583
529 3RKR NAP 0.000003943 0.60074 48.583
530 1O5I NAD 0.0000001401 0.62263 48.5944
531 2AG5 NAD 0.0000000000006305 0.76936 48.7805
532 3SJU NDP 0.0000000000002615 0.77516 48.9879
533 1YXM ADE 0.000001235 0.66003 48.9879
534 1ZBQ NAD 0.0000000002091 0.6567 48.9879
535 3AY6 NAI 0.000000000001509 0.67793 49.3927
536 3AY6 BGC 0.000000000007329 0.56611 49.3927
537 3QWI NAP 0.000000000008638 0.70686 49.7976
538 3QWI CUE 0.00000000003199 0.60483 49.7976
539 3VZS NAP 0.00000000004202 0.58064 49.7976
540 3VZS CAA 0.0000000002185 0.47638 49.7976
Pocket No.: 2; Query (leader) PDB : 3NUG; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3nug.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3NUG; 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: 3nug.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3NUG; Ligand: NAD; 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: 3nug.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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