Receptor
PDB id Resolution Class Description Source Keywords
1CWU 2.5 Å EC: 1.3.1.9 BRASSICA NAPUS ENOYL ACP REDUCTASE A138G MUTANT COMPLEXED WI AND THIENODIAZABORINE BRASSICA NAPUS OXIDOREDUCTASE PLANT LIPID BIOSYNTHESIS DIAZABORINE
Ref.: INHIBITOR BINDING STUDIES ON ENOYL REDUCTASE REVEAL CONFORMATIONAL CHANGES RELATED TO SUBSTRATE RECOGNI J.BIOL.CHEM. V. 274 30811 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD TDB A:501;
B:503;
Valid;
Valid;
none;
none;
submit data
932.563 n/a [S+2]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1D7O 1.9 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF BRASSICA NAPUS ENOYL ACYL CARRIER PROTE REDUCTASE COMPLEXED WITH NAD AND TRICLOSAN BRASSICA NAPUS TRICLOSAN ENOYL REDUCTASE OXIDOREDUCTASE
Ref.: CRYSTALLOGRAPHIC ANALYSIS OF TRICLOSAN BOUND TO ENO REDUCTASE. J.MOL.BIOL. V. 294 527 1999
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1D7O - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
2 1CWU - NAD TDB n/a n/a
3 1ENO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1D7O - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
2 1CWU - NAD TDB n/a n/a
3 1ENO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 4O1M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 4Q9N ic50 = 0.95 uM 0WE C22 H23 N3 O3 Cc1c2ccccc....
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 TDB; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 NAD TDB 1 1
2 NAD BBN 0.590361 0.733333
3 NAD IBO 0.589404 0.682692
4 NAD CJ3 0.573964 0.778846
5 NAD NDT 0.571429 0.875
6 NAJ PYZ 0.55 0.688679
7 NAD 0.544872 0.70297
8 N01 0.534591 0.70297
9 NAP 0.5 0.696078
10 A3D 0.5 0.712871
11 NAJ 0.475309 0.686275
12 AMP NAD 0.473373 0.68932
13 NHD 0.469512 0.686275
14 CNA 0.466258 0.705882
15 NA0 0.459302 0.705882
16 NAQ 0.458824 0.701923
17 DND 0.447205 0.68932
18 NXX 0.447205 0.68932
19 AHZ 0.44375 0.714286
20 ADP PO3 0.441379 0.673267
21 ZID 0.439306 0.696078
22 ATP MG 0.438356 0.669903
23 NFD 0.43787 0.67619
24 ADP BEF 0.4375 0.657143
25 BEF ADP 0.4375 0.657143
26 TAP 0.436782 0.72549
27 NAE 0.436047 0.715686
28 NDO 0.433526 0.679612
29 ADP MG 0.430556 0.669903
30 ADP ALF 0.42953 0.666667
31 ALF ADP 0.42953 0.666667
32 MYR AMP 0.429487 0.682243
33 VO4 ADP 0.426667 0.686275
34 ADP VO4 0.426667 0.686275
35 GAP 0.425676 0.663462
36 AR6 AR6 0.42236 0.676471
37 ADP BMA 0.419355 0.663462
38 NMN AMP PO4 0.417647 0.715686
39 ANP MG 0.417219 0.699029
40 NDE 0.416667 0.68932
41 ATP A A A 0.415094 0.683168
42 TYR AMP 0.4125 0.68932
43 NDC 0.412088 0.685714
44 NAJ PZO 0.410405 0.735294
45 ALF ADP 3PG 0.409639 0.663551
46 LA8 ALF 3PG 0.409639 0.663551
47 DAL AMP 0.402597 0.686275
48 PO4 PO4 A A A A PO4 0.401274 0.663366
49 AF3 ADP 3PG 0.401198 0.663551
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1D7O; Ligand: TCL; Similar sites found: 93
This union binding pocket(no: 1) in the query (biounit: 1d7o.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2E1A MSE 0.02639 0.42679 None
2 4F4S EFO 0.04516 0.41931 None
3 3ZPG 5GP 0.02742 0.45617 1.3468
4 3A1I UNU 0.03651 0.41635 1.6835
5 3HB5 NAP 0.0000000352 0.50061 2.0202
6 1I2B UPG 0.000001581 0.41959 2.0202
7 1I2B NAD 0.000001581 0.41959 2.0202
8 1I2B USQ 0.000001581 0.41959 2.0202
9 1T26 GBD 0.0000009368 0.40948 2.0202
10 1T26 NAI 0.0000009368 0.40948 2.0202
11 2ZO9 MLI 0.00304 0.46413 2.18978
12 2PR5 FMN 0.03058 0.40414 2.27273
13 4Q3S X7A 0.002116 0.43617 2.3569
14 2RHQ GAX 0.005772 0.42433 2.3569
15 2R0N TGC 0.000004105 0.41211 2.3569
16 1Z44 FMN 0.04926 0.40384 2.3569
17 1E8G FCR 0.000002695 0.40039 2.3569
18 4ASJ N6A 0.01618 0.40449 2.38908
19 1RN8 DUP 0.01238 0.40758 2.63158
20 4PNI KQQ 0.003976 0.42451 2.6936
21 4TSK NDP 0.0000001086 0.40612 2.6936
22 1HKU NAD 0.005434 0.4044 2.6936
23 2RHW C0E 0.00000008048 0.41262 2.82686
24 3FPZ AHZ 0.00000001102 0.43213 3.0303
25 2O4J VD4 0.0112 0.40297 3.08219
26 3K9W ADE 0.0000008486 0.41092 3.20856
27 3K9W 4PS 0.0000008486 0.41092 3.20856
28 3WXB NDP 0.0146 0.43495 3.22581
29 3TI8 LNV 0.00002547 0.45443 3.367
30 2F2U M77 0.008668 0.44546 3.367
31 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.01733 0.41435 3.367
32 1P4C FMN 0.0000004483 0.40131 3.367
33 1RM0 NAI 0.00003025 0.43603 3.7037
34 1WDA BAG 0.04292 0.4166 3.7037
35 1RM0 D6P 0.0002455 0.40639 3.7037
36 3GX0 GDS 0.03218 0.40054 3.72093
37 2AHR NAP 0.001213 0.42576 3.861
38 2Z9V PXM 0.0477 0.41813 4.0404
39 4OYA 1VE 0.000001467 0.40901 4.0404
40 3S9K CIT 0.01112 0.50836 4.23729
41 3OYZ ACO 0.0006701 0.41987 4.3771
42 1YBH FAD 0.0000007287 0.40675 4.3771
43 1JQ5 NAD 0.00001655 0.4032 4.3771
44 1GXU 2HP 0.003823 0.4312 4.3956
45 3PHQ KDO 0.02917 0.47395 4.5045
46 1VKO NAD 0.0000001858 0.43548 4.7138
47 4COQ SAN 0.01842 0.44821 4.8583
48 1BGV GLU 0.001896 0.40325 5.05051
49 1E6W NAD 0.03247 0.42057 5.38462
50 2PP3 LGT 0.001428 0.43317 5.38721
51 3F81 STT 0.00188 0.52317 5.46448
52 5AYC BGC BMA 0.01126 0.40912 6.06061
53 3MAG SAH 0.004092 0.43661 6.39731
54 1JQN DCO 0.002047 0.4134 6.39731
55 1LGT BP3 0.000007076 0.40785 6.39731
56 2IYG FMN 0.02629 0.41943 6.45161
57 1SS4 GSH 0.02485 0.48076 6.53595
58 1SS4 CIT 0.008541 0.47477 6.53595
59 1ONX ASP 0.00009801 0.47578 6.73401
60 1UGX GAL MGC 0.00002858 0.48663 6.76692
61 1ZK4 AC0 4.904e-18 0.58285 6.77291
62 1ZK4 NAP 4.904e-18 0.58285 6.77291
63 1HDG NAD 0.0002312 0.46622 7.40741
64 1TV5 A26 0.001879 0.44304 7.74411
65 1TV5 ORO 0.01599 0.42051 7.74411
66 1TV5 N8E 0.02165 0.41036 7.74411
67 4P4T GDP 0.02681 0.40651 7.74411
68 1TV5 FMN 0.001354 0.40122 7.74411
69 4CM4 NAP 0.02904 0.42479 7.98611
70 5A2J ALA PRO ASP THR ARG PRO 0.005293 0.49344 8.19672
71 3DGB MUC 0.03562 0.4134 8.41751
72 1GEG NAD 0.01465 0.43692 8.98438
73 1SJW NGV 0.03578 0.40699 9.02778
74 3A2Y TS5 0.03064 0.40694 9.13706
75 2DTX BMA 0.000000004603 0.40036 9.4697
76 2JAP NDP 0.03285 0.4185 9.7166
77 1CFV E3G 0.001494 0.43701 10.6195
78 2BH9 NAP 0.00007238 0.52273 10.7744
79 1L8N GCW 0.01579 0.4049 11.4478
80 1EJE FMN 0.02166 0.41035 11.4583
81 1N9L FMN 0.008322 0.42746 11.9266
82 4L1F COS 0.01502 0.40572 16.1616
83 2RH4 EMO 0.00000000433 0.41381 16.6065
84 3SJU NDP 0.0000000006924 0.63027 16.8459
85 4ORR PE3 0.01167 0.40475 17.3684
86 3KPE TM3 0.042 0.42943 17.9487
87 1GEE NAD 0.0000000014 0.62026 18.0077
88 1JA9 NDP 1.799e-16 0.55445 21.5328
89 2BGM NAJ 7.121e-17 0.5513 26.9784
90 3O03 NAP 8.828e-17 0.55104 27.4914
91 1BDB NAD 0.000000000000003442 0.53419 30.3249
92 3A28 NAD 0.01992 0.43063 31.3953
93 1VL8 NAP 0.02356 0.4216 44.1948
Pocket No.: 2; Query (leader) PDB : 1D7O; Ligand: NAD; Similar sites found: 224
This union binding pocket(no: 2) in the query (biounit: 1d7o.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HDO NAP 0.000002965 0.49004 None
2 2E1A MSE 0.02639 0.42679 None
3 4F4S EFO 0.04516 0.41931 None
4 3LU1 NAD 0.000007508 0.46286 0.673401
5 2C5A NAD 0.000006588 0.50671 1.3468
6 3ZPG 5GP 0.02742 0.45617 1.3468
7 1V6A TRE 0.0212 0.42844 1.50602
8 1GY8 NAD 0.000003869 0.47432 1.6835
9 3A1I UNU 0.03651 0.41635 1.6835
10 1I2B NAD 0.00004203 0.47811 2.0202
11 3HB5 NAP 0.0000005777 0.47234 2.0202
12 2Q1W NAD 0.00002919 0.44975 2.0202
13 1I2B USQ 0.000001581 0.41959 2.0202
14 1I2B UPG 0.000001581 0.41959 2.0202
15 1T26 GBD 0.0000009368 0.40948 2.0202
16 1VL0 NAI 0.000002254 0.46393 2.05479
17 1A27 NAP 0.0000004351 0.50143 2.07612
18 2ZO9 MLI 0.00304 0.46413 2.18978
19 2PR5 FMN 0.03058 0.40414 2.27273
20 3WMX NAD 0.000001094 0.47788 2.3569
21 4Q3S X7A 0.002116 0.43617 2.3569
22 2RHQ GAX 0.005772 0.42433 2.3569
23 1WVG APR 0.00006214 0.41962 2.3569
24 2R0N TGC 0.000004105 0.41211 2.3569
25 1Z44 FMN 0.04926 0.40384 2.3569
26 1E8G FCR 0.000002695 0.40039 2.3569
27 3RJ5 NAD 0.000009161 0.48406 2.3622
28 4ASJ N6A 0.01618 0.40449 2.38908
29 2F1K NAP 0.002296 0.42338 2.50896
30 1RN8 DUP 0.01238 0.40758 2.63158
31 1SB8 UD2 0.00004283 0.47581 2.6936
32 2V6G NAP 0.000003402 0.47579 2.6936
33 1BXK NAD 0.000003417 0.46959 2.6936
34 1SB8 NAD 0.00007461 0.46285 2.6936
35 1KEW TYD 0.0001378 0.45525 2.6936
36 1KEW NAD 0.0001661 0.45327 2.6936
37 4PNI KQQ 0.003976 0.42451 2.6936
38 2RHW C0E 0.00000008048 0.41262 2.82686
39 2BD0 NAP 0.0000006238 0.50527 2.86885
40 1ORR NAD 0.000007932 0.47213 3.0303
41 2PZM NAD 0.00005734 0.46246 3.0303
42 1OC2 NAD 0.0002158 0.4528 3.0303
43 3FPZ AHZ 0.00000001102 0.43213 3.0303
44 4OSP NAP 0.0000003705 0.49965 3.04183
45 2O4J VD4 0.0112 0.40297 3.08219
46 3K9W ADE 0.0000008486 0.41092 3.20856
47 3K9W 4PS 0.0000008486 0.41092 3.20856
48 3WXB NDP 0.0146 0.43495 3.22581
49 1N7G NDP 0.0001005 0.47508 3.367
50 1N7G GDR 0.00007367 0.47006 3.367
51 1R6D NAD 0.0001242 0.45982 3.367
52 1R6D DAU 0.0001466 0.45621 3.367
53 3TI8 LNV 0.00002547 0.45443 3.367
54 2F2U M77 0.008668 0.44546 3.367
55 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.01733 0.41435 3.367
56 1P4C FMN 0.0000004483 0.40131 3.367
57 3RFV NAI 0.00001779 0.44494 3.37079
58 4NEC SAH 0.01728 0.41195 3.40909
59 4J1Q NDP 0.000008187 0.4534 3.7037
60 2Q1S NAI 0.0001824 0.44451 3.7037
61 1WDA BAG 0.04292 0.4166 3.7037
62 3GX0 GDS 0.03218 0.40054 3.72093
63 2AHR NAP 0.001213 0.42576 3.861
64 4TQG NDP 0.000008325 0.45973 4.0404
65 2PK3 A2R 0.000002727 0.43421 4.0404
66 2Z9V PXM 0.0477 0.41813 4.0404
67 3I6I NDP 0.0005643 0.41662 4.0404
68 4OYA 1VE 0.000001467 0.40901 4.0404
69 3S9K CIT 0.01112 0.50836 4.23729
70 3KO8 NAD 0.0000006187 0.50377 4.3771
71 3OYZ ACO 0.0006701 0.41987 4.3771
72 1BW9 NAD 0.009035 0.40963 4.3771
73 1YBH FAD 0.0000007287 0.40675 4.3771
74 1C1X NAD 0.00628 0.40553 4.3771
75 1QMG APX 0.01089 0.40333 4.3771
76 1JQ5 NAD 0.00001655 0.4032 4.3771
77 1GXU 2HP 0.003823 0.4312 4.3956
78 1SNY NAP 0.0000004427 0.48889 4.49438
79 3PHQ KDO 0.02917 0.47395 4.5045
80 3MJE NDP 0.000001462 0.48568 4.7138
81 4PVD NDP 0.0001089 0.41693 4.7138
82 1Z82 NDP 0.006586 0.40219 4.7138
83 4COQ SAN 0.01842 0.44821 4.8583
84 1U7T TDT 0.000003255 0.50418 4.98084
85 1U7T NAD 0.000001178 0.48055 4.98084
86 3O26 NDP 0.0000002089 0.51328 5.05051
87 2YY7 NAD 0.000001073 0.49329 5.05051
88 1BGV GLU 0.001896 0.40325 5.05051
89 1E3W NAD 0.0000007236 0.49519 5.36398
90 1E6W NAD 0.0000006995 0.55167 5.38462
91 2PP3 LGT 0.001428 0.43317 5.38721
92 3F81 STT 0.00188 0.52317 5.46448
93 3BAZ NAP 0.003971 0.41641 5.70571
94 2HJR APR 0.000812 0.45186 5.72391
95 3ORF NAD 0.00006946 0.42797 5.9761
96 4EUE NAI 0.000001074 0.49739 6.06061
97 1RPN NDP 0.00000846 0.48718 6.06061
98 2X6T NAP 0.00003023 0.4428 6.06061
99 1EQ2 NAP 0.00003832 0.439 6.06061
100 5AYC BGC BMA 0.01126 0.40912 6.06061
101 1Z45 NAD 0.000006361 0.51447 6.39731
102 3MAG SAH 0.004092 0.43661 6.39731
103 1JQN DCO 0.002047 0.4134 6.39731
104 1LGT BP3 0.000007076 0.40785 6.39731
105 2IYG FMN 0.02629 0.41943 6.45161
106 1SS4 GSH 0.02485 0.48076 6.53595
107 1SS4 CIT 0.008541 0.47477 6.53595
108 1ONX ASP 0.00009801 0.47578 6.73401
109 4GLL NAD 0.00001732 0.45776 6.73401
110 3ABI NAD 0.0002149 0.45516 6.73401
111 1CER NAD 0.001544 0.43041 6.73401
112 1Z6Z NAP 0.00000125 0.48708 6.73759
113 1UGX GAL MGC 0.00002858 0.48663 6.76692
114 1ZK4 AC0 4.904e-18 0.58285 6.77291
115 1ZK4 NAP 0.00000203 0.50227 6.77291
116 1GZ6 NAI 0.00002571 0.4872 7.07071
117 4HXY NDP 0.00000109 0.49187 7.40741
118 1ZBQ NAD 0.00001091 0.46336 7.40741
119 2C29 NAP 0.0002114 0.44223 7.40741
120 2C29 DQH 0.0003186 0.43587 7.40741
121 3U4C NDP 0.00005669 0.43202 7.47331
122 2GDZ NAD 0.0000003222 0.5072 7.49064
123 4KWI NAP 0.0000007927 0.5244 7.60456
124 4KWI 1TJ 0.0000008746 0.5244 7.60456
125 1TV5 A26 0.001879 0.44304 7.74411
126 1TV5 ORO 0.01599 0.42051 7.74411
127 1TV5 N8E 0.02165 0.41036 7.74411
128 4P4T GDP 0.02681 0.40651 7.74411
129 1TV5 FMN 0.001354 0.40122 7.74411
130 1XG5 NAP 0.000001256 0.49239 7.8853
131 3JQA NAP 0.0000006825 0.56197 7.98611
132 3JQF NAP 0.0000009693 0.54617 7.98611
133 3BMQ NAP 0.0000006006 0.49734 7.98611
134 3JQ9 NAP 0.0000006724 0.49582 7.98611
135 3JQ8 NAP 0.000001042 0.49003 7.98611
136 3BMO NAP 0.0000009114 0.48773 7.98611
137 3BMN NAP 0.000001256 0.4876 7.98611
138 3JQB NAP 0.0000008368 0.48444 7.98611
139 3JQG NAP 0.0000008964 0.48356 7.98611
140 4CM4 NAP 0.02904 0.42479 7.98611
141 5A2J ALA PRO ASP THR ARG PRO 0.005293 0.49344 8.19672
142 1HDR NAD 0.002791 0.40676 8.19672
143 1RKX NAD 0.000004416 0.51641 8.41751
144 1UDB NAD 0.0000201 0.48679 8.41751
145 2FR1 NDP 0.000002726 0.48413 8.41751
146 3DGB MUC 0.03562 0.4134 8.41751
147 2WD7 NAP 0.0000008121 0.48898 8.58209
148 1GEG NAD 0.0000008651 0.54809 8.98438
149 1SJW NGV 0.03578 0.40699 9.02778
150 2BKA NDP 0.00004856 0.43435 9.09091
151 3A2Y TS5 0.03064 0.40694 9.13706
152 2JAH NDP 0.000000692 0.5004 9.31174
153 4K26 SFF 0.000003137 0.50185 9.42029
154 4K26 NDP 0.0000009767 0.4947 9.42029
155 1LDM NAD 0.003255 0.40935 9.42761
156 2DTX BMA 0.000001081 0.51812 9.4697
157 1OAA OAA 0.0000003616 0.54101 9.65251
158 2JAP NDP 0.000000785 0.54506 9.7166
159 3A4V NAD 0.000001587 0.50572 9.76431
160 4R1S NAP 0.00001414 0.44197 9.76431
161 4PIV NDP 0.0000149 0.45667 10.101
162 2DKN NAI 0.0000004663 0.49644 10.1961
163 1CFV E3G 0.001494 0.43701 10.6195
164 1E7S NAP 0.0000005124 0.50711 10.7744
165 2BH9 NAP 0.02576 0.40349 10.7744
166 1L8N GCW 0.01579 0.4049 11.4478
167 1EJE FMN 0.02166 0.41035 11.4583
168 2Q46 NAP 0.000005908 0.46107 11.4625
169 1N9L FMN 0.008322 0.42746 11.9266
170 1EK6 UPG 0.0000142 0.49651 12.1212
171 1N5D NDP 0.0000003369 0.51137 13.8889
172 1WMA AB3 0.000007538 0.49392 14.1304
173 1FK8 NAD 0.000002095 0.46498 15.1751
174 1XKQ NDP 0.0000007502 0.50663 15.3571
175 2B4Q NAP 0.000001272 0.48667 15.5797
176 3QWI CUE 0.000004106 0.50061 15.9259
177 3QWI NAP 0.00000139 0.49351 15.9259
178 4L1F COS 0.01502 0.40572 16.1616
179 2RH4 EMO 0.000001597 0.52069 16.6065
180 1G0N PHH 0.000002686 0.50714 16.6078
181 1G0N NDP 0.000004409 0.49517 16.6078
182 3SJU NDP 0.0000001299 0.57489 16.8459
183 3V1U NAD 0.0000002981 0.49189 17.1717
184 4ORR PE3 0.01167 0.40475 17.3684
185 4NBW NAD 0.00000126 0.48097 17.5097
186 3AY6 NAI 0.0000006858 0.52182 17.8439
187 3AY6 BGC 0.000002712 0.51741 17.8439
188 3KPE TM3 0.042 0.42943 17.9487
189 1GEE NAD 0.000000242 0.56955 18.0077
190 4CQM NAP 0.0000003528 0.50458 19.2623
191 1IY8 NAD 0.000001896 0.48569 20.9738
192 1JA9 NDP 0.000001206 0.49534 21.5328
193 1W73 NAP 0.00000008584 0.4983 22.2222
194 1W8D NAP 0.0000001362 0.49373 22.2222
195 1W6U NAP 0.00000004927 0.50564 22.5589
196 3TN7 NJP 0.000001554 0.48968 26.07
197 1XSE NDP 0.0000005896 0.52894 26.1017
198 2BGM NAJ 0.0000001737 0.50077 26.9784
199 3O03 NAP 0.0000005135 0.48673 27.4914
200 3ICC NAP 0.0000005516 0.50597 28.6275
201 2CFC NAD 0.000003615 0.47151 29.2
202 2AG5 NAD 0.000001873 0.48231 29.2683
203 1AE1 NAP 0.0000002189 0.52315 29.304
204 3ZV6 4HB 0.000006787 0.49423 29.5374
205 3ZV6 NAD 0.000006216 0.49423 29.5374
206 3GEG NAD 0.000001158 0.47976 29.5547
207 4O0L NDP 0.0000006964 0.49943 29.8182
208 1BDB NAD 0.000001975 0.52131 30.3249
209 2ZAT NAP 0.000001073 0.48991 30.3846
210 4FN4 NAD 0.0000006288 0.4963 31.1024
211 3A28 NAD 0.0000007515 0.55046 31.3953
212 1XHL NDP 0.0000007061 0.50426 31.9865
213 4FC7 NAP 0.000001458 0.51798 32.13
214 1MXH DHF 0.00001036 0.48219 32.2464
215 1MXH NAP 0.00001078 0.48159 32.2464
216 4QED NAP 0.0000007977 0.49457 33.0645
217 1Q7B NAP 0.000001326 0.54089 33.1967
218 3CH6 311 0.000004479 0.52013 33.2168
219 3VZS NAP 0.000001064 0.52567 34.2412
220 1PR9 NAP 0.0000002975 0.51883 34.4262
221 3D3W NAP 0.000000947 0.49391 34.4262
222 1VL8 NAP 0.0000009055 0.53384 44.1948
223 1H5Q NAP 0.0000007719 0.49795 44.9057
224 4NBT NAD 0.0000001583 0.51236 47.0833
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