Receptor
PDB id Resolution Class Description Source Keywords
3OJF 2.2 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF THE BACILLUS CEREUS ENOYL-ACYL CARRIER REDUCTASE WITH NADP+ AND INDOLE NAPHTHYRIDINONE (COMPLEX FO BACILLUS CEREUS ENOYL-ACP REDUCTASE TETRAMER ROSSMANN FOLD NAD(P) BINDINGOXIDOREDUCTASE
Ref.: DIMERIC AND TETRAMERIC FORMS OF ENOYL-ACYL CARRIER REDUCTASE FROM BACILLUS CEREUS BIOCHEM.BIOPHYS.RES.COMMUN. V. 400 517 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMJ A:801;
B:803;
C:804;
D:802;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 0.06 uM
388.462 C23 H24 N4 O2 Cc1c(...
NDP A:501;
B:503;
C:504;
D:502;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OJF 2.2 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF THE BACILLUS CEREUS ENOYL-ACYL CARRIER REDUCTASE WITH NADP+ AND INDOLE NAPHTHYRIDINONE (COMPLEX FO BACILLUS CEREUS ENOYL-ACP REDUCTASE TETRAMER ROSSMANN FOLD NAD(P) BINDINGOXIDOREDUCTASE
Ref.: DIMERIC AND TETRAMERIC FORMS OF ENOYL-ACYL CARRIER REDUCTASE FROM BACILLUS CEREUS BIOCHEM.BIOPHYS.RES.COMMUN. V. 400 517 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 2QIO ic50 = 3.6 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
2 3OJF ic50 = 0.06 uM IMJ C23 H24 N4 O2 Cc1c(c2ccc....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4BNK Ki = 1.42 nM FPL C12 H9 F O2 c1ccc(cc1)....
2 4ALI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4CV0 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
4 4D41 Ki = 0.05 nM JA1 C18 H21 N O4 CCCCCCc1cc....
5 4BNG Ki = 0.04 nM 5PP C17 H20 O2 CCCCCc1ccc....
6 4BNL Ki = 110 pM W1G C15 H14 O2 C=CCc1ccc(....
7 4D45 Ki = 0.17 nM J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
8 4BNM - TCU C19 H24 O2 CCCCCCc1cc....
9 4ALK - GLU C5 H9 N O4 C(CC(=O)O)....
10 3GR6 Kd = 18.6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 4BNH Ki = 10 pM 6PN C18 H22 O2 CCCCCCc1cc....
12 4BNI Ki = 120 pM P1F C18 H23 N O2 CCCCCCc1cc....
13 4BNN Ki = 120 pM JUS C19 H21 N O2 CCCCCCc1cc....
14 4CV1 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
15 4BNJ Ki = 380 pM MJ5 C13 H12 O2 Cc1ccc(c(c....
16 4FS3 Ki = 12.8 nM 0WE C22 H23 N3 O3 Cc1c2ccccc....
17 4D44 Ki = 0.35 nM JA3 C13 H11 F2 N O2 CCc1cc(c(c....
18 4D43 Ki = 0.75 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
19 4ALJ - GLU C5 H9 N O4 C(CC(=O)O)....
20 4BNF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 4D42 Ki = 0.01 nM W0I C18 H21 F O2 CCCCCCc1cc....
22 3OIG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 2QIO ic50 = 3.6 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
24 3OJF ic50 = 0.06 uM IMJ C23 H24 N4 O2 Cc1c(c2ccc....
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: IMJ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 IMJ 1 1
2 IDN 0.656566 0.966102
Ligand no: 2; Ligand: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3OJF; Ligand: NDP; Similar sites found: 278
This union binding pocket(no: 1) in the query (biounit: 3ojf.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YY7 NAD 0.000002658 0.49175 None
2 4IRP UDP 0.04718 0.40676 None
3 3B1F NAD 0.001711 0.43895 1.16732
4 2JL1 NAP 0.002524 0.43162 1.16732
5 5MPT SAH 0.008608 0.41761 1.16732
6 1ZQ9 SAM 0.01172 0.41141 1.16732
7 1ORR NAD 0.00001362 0.48726 1.55642
8 3MB5 SAM 0.0102 0.40245 1.56863
9 3TN7 NJP 0.00000002263 0.59998 1.94553
10 1BXK NAD 0.000004574 0.52121 1.94553
11 4ME6 ADP 0.02418 0.42223 1.94553
12 3A51 VDY 0.01773 0.40937 1.94553
13 1GY8 NAD 0.000003413 0.51749 2.33463
14 4BCQ TJF 0.01102 0.43083 2.33463
15 3TXO 07U 0.02183 0.40829 2.33463
16 1S20 TLA 0.03714 0.40804 2.33463
17 4OOE NDP 0.005725 0.40498 2.33463
18 1NYT NAP 0.008045 0.40151 2.33463
19 1OMO NAD 0.009495 0.40111 2.33463
20 1E7S NAP 0.000004085 0.48928 2.72374
21 4U7W NDP 0.000003632 0.47851 2.72374
22 5MSO NAP 0.000003548 0.47333 2.72374
23 4PVD NDP 0.00005587 0.43646 2.72374
24 5F5N NAD 0.0001108 0.42513 2.72374
25 2PX8 SAH 0.01503 0.40641 2.72374
26 3ICS ADP 0.03206 0.40331 2.72374
27 1N7G GDR 0.00003485 0.40212 2.72374
28 1GMN IDS SGN IDS SGN IDS 0.0226 0.42856 2.73224
29 3EW2 BTN 0.04215 0.4006 2.96296
30 1SNY NAP 0.0000000262 0.53997 2.99625
31 1WMA AB3 0.00000005405 0.52098 3.11284
32 1WMA NDP 0.00000005405 0.52098 3.11284
33 3MJE NDP 0.000002293 0.48978 3.11284
34 3H8V ATP 0.006992 0.42179 3.11284
35 3EVG SAH 0.007118 0.42143 3.11284
36 4RDH AMP 0.01204 0.41748 3.11284
37 2P41 SAH 0.009329 0.416 3.11284
38 2UYQ SAM 0.03873 0.41115 3.11284
39 3G5S GSH 0.04494 0.40268 3.11284
40 1CER NAD 0.006791 0.40197 3.11284
41 2V6G NAP 0.000003019 0.51951 3.50195
42 3LU1 NAD 0.000009795 0.50414 3.50195
43 1Z45 NAD 0.00001149 0.50147 3.50195
44 1WVG APR 0.0000382 0.49721 3.50195
45 2IZ1 ATR 0.006892 0.4512 3.50195
46 1HYE NAP 0.005002 0.41569 3.50195
47 5FI3 NAP 0.002091 0.41449 3.50195
48 1WDK NAD 0.008321 0.40623 3.50195
49 4BI7 PGA 0.04834 0.40097 3.50195
50 2BD0 NAP 0.0000000144 0.60186 3.68852
51 1HDO NAP 0.000003429 0.50534 3.8835
52 4ZRN NAD 0.000004708 0.50036 3.89105
53 4E13 NAD 0.002466 0.43544 3.89105
54 2C5A NAD 0.000007539 0.42335 3.89105
55 2C5A GDC 0.000007539 0.42335 3.89105
56 4ZRN UPG 0.00002068 0.42215 3.89105
57 2F1K NAP 0.003397 0.41417 3.89105
58 1LDM NAD 0.002219 0.41349 3.89105
59 3MAN BMA BMA MAN 0.03838 0.40638 3.89105
60 1OJ4 CDM 0.0238 0.40317 3.89105
61 3B20 NAD 0.008871 0.40235 3.89105
62 1H5R G1P 0.03395 0.40203 3.89105
63 1FK8 NAD 0.0000005051 0.57453 4.28016
64 4HXY NDP 0.0000006081 0.54586 4.28016
65 5IN4 NAP 0.0001987 0.50393 4.28016
66 5IN4 6CK 0.0001949 0.50393 4.28016
67 5IN4 GDP 0.0001988 0.50283 4.28016
68 5LD5 NAD 0.008073 0.40679 4.28016
69 3KO8 NAD 0.000001203 0.53021 4.66926
70 1E5Q NDP 0.0002427 0.45374 4.66926
71 1XJD STU 0.01467 0.4069 4.66926
72 2F2U M77 0.03772 0.40312 4.66926
73 3ORF NAD 0.0003891 0.44572 4.78088
74 3F81 STT 0.02843 0.41367 4.91803
75 4RHS SIA SIA GAL 0.02682 0.40794 4.91803
76 2Q1S NAI 0.0003269 0.44068 5.05837
77 2VUT NAD 0.005266 0.42083 5.05837
78 2C29 NAP 0.0001935 0.41356 5.05837
79 2ZWA SAH 0.006605 0.41343 5.05837
80 1EK6 NAI 0.00002462 0.41024 5.05837
81 2C29 DQH 0.0002504 0.40988 5.05837
82 1SB8 NAD 0.0001046 0.40752 5.05837
83 3R4S SLB 0.0206 0.40527 5.05837
84 1SB8 UD2 0.0000668 0.40262 5.05837
85 2BKA NDP 0.00003963 0.48453 5.3719
86 1GZ6 NAI 0.000004939 0.51141 5.44747
87 4N49 SAM 0.005558 0.41978 5.44747
88 1VMK GUN 0.03566 0.41073 5.44747
89 1RZM E4P 0.04658 0.40672 5.44747
90 1WNB BTL 0.04509 0.40464 5.44747
91 1KYQ NAD 0.02003 0.40364 5.44747
92 3RJ5 NAD 0.00000004029 0.551 5.51181
93 1LTH NAD 0.002834 0.42316 5.83658
94 1PL6 NAD 0.005861 0.41876 5.83658
95 5E8J SAH 0.02253 0.40762 5.83658
96 1A5Z NAD 0.01062 0.40443 5.83658
97 4GLW 0XT 0.04581 0.40223 5.83658
98 1RL4 BL5 0.001618 0.43164 5.85106
99 2DTJ THR 0.03438 0.40522 6.17978
100 1RPN NDP 0.000007797 0.48404 6.22568
101 1UAY ADN 0.007646 0.43077 6.61157
102 5H81 NAP 0.004679 0.41995 6.61479
103 3B2Q AES 0.04028 0.41405 6.61479
104 1QO0 BMD 0.03931 0.41343 6.61479
105 1UDB NAD 0.00006438 0.40469 6.61479
106 1RJD SAM 0.01347 0.40269 6.61479
107 4K28 NAD 0.009634 0.40084 6.61479
108 1A27 NAP 0.00000000364 0.63614 7.00389
109 3WMX NAD 0.000003058 0.53741 7.00389
110 3HB5 NAP 0.00000003935 0.50056 7.00389
111 2PZM NAD 0.00005211 0.46999 7.00389
112 2PZM UDP 0.00005211 0.46999 7.00389
113 3WMX THR 0.01658 0.41272 7.00389
114 1GV0 NAD 0.004643 0.40113 7.00389
115 5THY SAH 0.007863 0.41309 7.16049
116 1Y1P NMN AMP PO4 0.00002279 0.51558 7.393
117 4GLL NAD 0.00000456 0.48682 7.393
118 4J1Q NDP 0.000002589 0.47935 7.393
119 1V6A TRE 0.006193 0.45449 7.393
120 2HK9 ATR 0.00729 0.44007 7.393
121 9LDB NAD 0.003214 0.40484 7.393
122 2HMT NAI 0.001081 0.44762 7.63889
123 5L4S 6KX 0.00000001019 0.59547 7.7821
124 5L4S NAP 0.00000001019 0.59547 7.7821
125 3CH6 NAP 0.0000001909 0.58009 7.7821
126 1XSE NDP 0.00000003181 0.54334 7.7821
127 4TQG NDP 0.000006792 0.51449 7.7821
128 3CH6 311 0.0000001909 0.4436 7.7821
129 2HJR APR 0.001087 0.444 7.92683
130 4K26 NDP 0.00000009633 0.57616 8.17121
131 4K26 SFF 0.00000008602 0.53468 8.17121
132 1RKX NAD 0.000006332 0.50732 8.17121
133 2Q1W NAD 0.00002728 0.47969 8.17121
134 3G4Q MCH 0.03117 0.40393 8.21918
135 2I3G NAP 0.002535 0.40875 8.23864
136 3WXB NDP 0.000000005551 0.6231 8.24373
137 5U9J GER 0.01402 0.42962 8.28402
138 5GT9 NAP 0.0000007589 0.51153 8.56031
139 2X6T NAP 0.00005934 0.47403 8.56031
140 1EQ2 NAP 0.00008902 0.46726 8.56031
141 1WDI CIT 0.0376 0.41256 8.56031
142 3LKZ SFG 0.007322 0.41759 8.94942
143 5JJR SAH 0.01212 0.41074 8.94942
144 4Z28 BTN 0.02205 0.41526 8.95522
145 4PIV NDP 0.00001635 0.4651 9.33852
146 1I0Z NAI 0.002007 0.41517 9.33852
147 5L4L 7OX 0.001297 0.41218 9.33852
148 5L4L NAP 0.0001642 0.41065 9.33852
149 1O6Z NAD 0.008963 0.40216 9.33852
150 1BZL FAD 0.02019 0.40066 9.33852
151 4GGZ BTN 0.03041 0.40447 9.56522
152 3O26 NDP 0.0000000007744 0.60592 9.72763
153 2Q46 NAP 0.000006634 0.51489 9.88142
154 1LSS NAD 0.008361 0.41191 10
155 1N5D NDP 0.000000006142 0.62143 10.1167
156 1R6D NAD 0.0001172 0.46643 10.1167
157 1R6D DAU 0.0001453 0.46194 10.1167
158 3BP1 GUN 0.04622 0.40518 10.1167
159 3A4V NAD 0.000002853 0.49889 10.8949
160 3A4V PYR 0.000002853 0.49889 10.8949
161 3ABI NAD 0.0001283 0.46115 10.8949
162 3RFV NAI 0.00002591 0.49573 11.6732
163 5JAQ NAI 0.00002383 0.4773 11.6732
164 3RFV 15L 0.0009424 0.43672 11.6732
165 3I6I NDP 0.0009976 0.40366 11.6732
166 4R1S NAP 0.000006946 0.52299 12.0623
167 3V1Y NAD 0.00442 0.40954 12.0623
168 3H9E NAD 0.006759 0.40206 12.0623
169 1ZBQ NAD 0.000001607 0.52553 12.4514
170 2DKN NAI 0.000000008904 0.62724 13.3333
171 1LOJ U 0.04837 0.40452 13.7931
172 2CFC NAD 0.00000005177 0.59734 14.4
173 5L53 NAP 0.0000002382 0.48794 14.786
174 4O08 PO6 0.02574 0.4198 14.786
175 1KYZ SAH 0.01653 0.40759 15.1751
176 4NBT NAD 0.000000006022 0.63389 15.4167
177 3ZV6 NAD 0.0000002082 0.51087 15.9533
178 3ZV6 4HB 0.0000002296 0.50462 15.9533
179 1KEW TYD 0.00007365 0.47105 16.3424
180 1KEW NAD 0.0000997 0.46712 16.3424
181 1VL0 NAI 0.000003066 0.47131 16.7808
182 2B4Q NAP 0.00000009284 0.58201 17.1206
183 3U4C NDP 0.00003412 0.48707 17.5097
184 4FN4 NAD 0.00000002804 0.60202 17.7165
185 1BDB NAD 0.00000008137 0.56886 17.8988
186 4NBW NAD 0.0000002842 0.51329 17.8988
187 2WDQ CBE 0.02549 0.42156 18.2609
188 2PK3 A2R 0.00001301 0.54176 18.2879
189 1W73 NAP 0.0000001546 0.60175 18.677
190 1W8D NAP 0.0000001596 0.60117 18.677
191 1U7T NAD 0.0000001313 0.58702 18.677
192 1OAA OAA 0.00000001591 0.53534 18.677
193 1U7T TDT 0.00000003936 0.53428 18.677
194 1E6W NAD 0.0000000164 0.61098 19.0661
195 1E3W NAD 0.00000001901 0.60851 19.0661
196 3H4V DVP 0.00001027 0.49461 19.0661
197 3H4V NAP 0.000009889 0.49388 19.0661
198 1W6U NAP 0.00000009649 0.61033 19.4553
199 1GEG NAD 0.00000001283 0.61508 19.5312
200 4OSP NAP 0.0000002402 0.57127 19.8444
201 2FR1 NDP 0.000004116 0.51031 19.8444
202 5ITV NAI 0.00000001468 0.56794 21.1765
203 3GEG NAD 0.0000009144 0.5535 21.4575
204 4EUE NAI 0.0000003972 0.54816 21.7899
205 1DSS NAD 0.005939 0.40696 22.179
206 1XHL NDP 0.00000006604 0.55041 23.7354
207 3V1U NAD 0.0000007551 0.56734 28.7938
208 4J7U YTZ 0.00000001571 0.5977 30.2083
209 4J7U NAP 0.00000001571 0.5977 30.2083
210 1Z6Z NAP 0.000000006904 0.62544 30.8511
211 2JAH NDP 0.00000006516 0.58259 31.9838
212 3VZS NAP 0.0000005468 0.48683 32.2957
213 3VZS CAA 0.000001952 0.41546 32.2957
214 2GDZ NAD 0.000000005037 0.57862 32.6848
215 2JAP NDP 0.00000003446 0.59307 32.7935
216 4YAG NAI 0.0000006361 0.53884 33.0739
217 2DTX BMA 0.0000001584 0.52613 34.6304
218 2BGM NAJ 0.00000005891 0.52782 35.4086
219 3AY6 NAI 0.00000004132 0.55685 35.7977
220 3AY6 BGC 0.0000001317 0.48111 35.7977
221 1MXH DHF 0.000008784 0.49155 36.2319
222 1MXH NAP 0.000008883 0.49137 36.2319
223 4CQM NAP 0.00000002553 0.60358 36.8852
224 3RKR NAP 0.00004228 0.55483 36.965
225 4QED NAP 0.0000005566 0.55207 37.0968
226 4FC7 COA 0.00000003084 0.58697 37.7432
227 4FC7 NAP 0.00000003084 0.53232 37.7432
228 2RH4 EMO 0.0000002963 0.48962 37.7432
229 4O0L NDP 0.000000008595 0.6159 38.5455
230 1IY8 NAD 0.00000003302 0.59377 38.9105
231 1H5Q NAP 0.00000003638 0.59217 39.2453
232 1XG5 NAP 0.00000001776 0.60397 39.4265
233 1JA9 NDP 0.00000007002 0.55005 40.146
234 3A28 NAD 0.000000006081 0.62756 40.3101
235 1O5I NAD 0.00003109 0.52468 40.5622
236 1ZK4 NAP 0.0000006498 0.52177 40.6375
237 2ZAT NAP 0.000000007223 0.62469 40.856
238 3ICC NAP 0.000000007273 0.61292 41.9608
239 1GEE NAD 0.00000009857 0.58101 42.4125
240 3O03 NAP 0.0000001436 0.59114 42.8016
241 1G0N PHH 0.000000057 0.57557 43.1907
242 1G0N NDP 0.0000001055 0.56078 43.1907
243 1AE1 NAP 0.00000002313 0.57084 43.5798
244 4KWI NAP 0.00000006612 0.53199 43.5798
245 4KWI 1TJ 0.00000007344 0.52512 43.5798
246 4CLO NAP 0.000001361 0.54663 43.9689
247 3JQA NAP 0.000001461 0.5454 43.9689
248 3JQB NAP 0.00000169 0.54289 43.9689
249 3JQG NAP 0.000001971 0.54023 43.9689
250 2WD7 NAP 0.000001696 0.53806 43.9689
251 5JCJ NAP 0.000001713 0.53789 43.9689
252 5JDC NAP 0.000001749 0.53754 43.9689
253 3BMO NAP 0.00000181 0.53695 43.9689
254 4CM4 NAP 0.000001918 0.53598 43.9689
255 4CM8 NAP 0.000002059 0.53477 43.9689
256 3BMQ NAP 0.000001666 0.53375 43.9689
257 4CMI NAP 0.000002328 0.53268 43.9689
258 3JQ8 NAP 0.000002057 0.53023 43.9689
259 3JQ7 NAP 0.00000365 0.52959 43.9689
260 3JQF NAP 0.00000217 0.52933 43.9689
261 3JQ9 NAP 0.000002312 0.52827 43.9689
262 3BMN NAP 0.00000308 0.52348 43.9689
263 5EPO NAP 0.0000004821 0.51269 43.9689
264 5JDI NAP 0.000001391 0.49406 43.9689
265 4CM9 NAP 0.000001797 0.49378 43.9689
266 4CLR NAP 0.000001777 0.49038 43.9689
267 5K6A NAP 0.000002701 0.48691 43.9689
268 4CME NAP 0.000002431 0.4857 43.9689
269 3QWI NAP 0.00000008084 0.57393 45.1362
270 3QWI CUE 0.0000001338 0.51843 45.1362
271 3SJU NDP 0.00000001735 0.60435 45.5253
272 1XKQ NDP 0.0000001261 0.56188 45.5253
273 2AG5 NAD 0.00000005876 0.58965 45.5285
274 1Q7B NAP 0.0000003621 0.55926 45.9016
275 1YXM ADE 0.0006295 0.51042 46.6926
276 1PR9 NAP 0.00000001039 0.58236 48.3607
277 3D3W NAP 0.00000001105 0.58141 48.3607
278 1VL8 NAP 0.000000004596 0.61467 48.6381
Pocket No.: 2; Query (leader) PDB : 3OJF; Ligand: IMJ; 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: 3ojf.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3OJF; Ligand: IMJ; Similar sites found: 283
This union binding pocket(no: 3) in the query (biounit: 3ojf.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YY7 NAD 0.000003107 0.46073 None
2 4IRP UDP 0.04556 0.41285 None
3 2JL1 NAP 0.001296 0.45103 1.16732
4 3B1F NAD 0.001752 0.44522 1.16732
5 1ZQ9 SAM 0.01139 0.41797 1.16732
6 5MPT SAH 0.01353 0.41446 1.16732
7 1ORR NAD 0.00001464 0.49467 1.55642
8 3TN7 NJP 0.0000000267 0.60826 1.94553
9 1BXK NAD 0.000005591 0.52673 1.94553
10 1GY8 NAD 0.000005791 0.51771 2.33463
11 4OEV OXL 0.03345 0.42014 2.33463
12 1OMO NAD 0.006449 0.41438 2.33463
13 1NYT NAP 0.01107 0.40179 2.33463
14 1E7S NAP 0.000004812 0.45915 2.72374
15 5MSO NAP 0.000002162 0.45228 2.72374
16 4U7W NDP 0.000003674 0.45185 2.72374
17 1N7G GDR 0.0000202 0.42231 2.72374
18 4PVD NDP 0.0000486 0.41639 2.72374
19 3ICS ADP 0.03386 0.40767 2.72374
20 1I2B NAD 0.000104 0.40504 2.72374
21 2AG8 NAP 0.02045 0.40036 2.72374
22 5F5N NAD 0.0001395 0.40017 2.72374
23 1GMN IDS SGN IDS SGN IDS 0.02331 0.43312 2.73224
24 2Q37 3AL 0.04939 0.41026 2.76243
25 2DVZ GLU 0.04789 0.40312 2.86624
26 3EW2 BTN 0.0279 0.41559 2.96296
27 1SNY NAP 0.00000002977 0.50316 2.99625
28 1WMA NDP 0.0000000966 0.53155 3.11284
29 1WMA AB3 0.0000000966 0.53155 3.11284
30 3TTM PUT 0.00515 0.46372 3.11284
31 3MJE NDP 0.000003046 0.45611 3.11284
32 3H8V ATP 0.003649 0.44125 3.11284
33 2PCU ASP 0.01788 0.42983 3.11284
34 4RDH AMP 0.01389 0.42041 3.11284
35 2F5X ASP 0.03902 0.41484 3.11284
36 3EVG SAH 0.01471 0.41274 3.11284
37 3ALN ANP 0.01673 0.40716 3.11284
38 3BAZ NAP 0.01058 0.40261 3.11284
39 3R9C ECL 0.04433 0.40158 3.11284
40 1V8B ADN 0.0409 0.40022 3.11284
41 1EJ0 SAM 0.02675 0.40043 3.33333
42 2V6G NAP 0.000004332 0.52259 3.50195
43 3LU1 NAD 0.00001101 0.51085 3.50195
44 1Z45 NAD 0.00001611 0.50435 3.50195
45 1WVG APR 0.00006271 0.49635 3.50195
46 2IZ1 ATR 0.005375 0.46508 3.50195
47 1WDK NAD 0.005285 0.42096 3.50195
48 1HYE NAP 0.00572 0.41946 3.50195
49 5FI3 NAP 0.002657 0.41703 3.50195
50 1P77 ATR 0.04148 0.41387 3.50195
51 3L4S NAD 0.003961 0.40547 3.50195
52 1D1T NAD 0.006874 0.40074 3.50195
53 3L4S 3PG 0.004638 0.40064 3.50195
54 2BD0 NAP 0.00000002026 0.60743 3.68852
55 1HDO NAP 0.000003699 0.51324 3.8835
56 4ZRN NAD 0.000006434 0.50434 3.89105
57 4E13 NAD 0.001785 0.44835 3.89105
58 2C5A GDC 0.000005078 0.44419 3.89105
59 2C5A NAD 0.000005078 0.44419 3.89105
60 4ZRN UPG 0.00002199 0.43728 3.89105
61 1LDM NAD 0.002092 0.42112 3.89105
62 2F1K NAP 0.004292 0.41643 3.89105
63 3B20 NAD 0.006178 0.41518 3.89105
64 2D2I NAP 0.01159 0.40605 3.89105
65 1YJQ NAP 0.00383 0.40377 3.89105
66 2G5C NAD 0.007831 0.40315 3.89105
67 1EZ4 NAD 0.009669 0.4018 3.89105
68 4XDY NAI 0.009771 0.40161 3.89105
69 1OC2 NAD 0.0001273 0.40107 3.89105
70 1OC2 TDX 0.0001273 0.40107 3.89105
71 1H5R G1P 0.04721 0.40015 3.89105
72 1FK8 NAD 0.000000708 0.57822 4.28016
73 4HXY NDP 0.0000006431 0.5547 4.28016
74 5IN4 NAP 0.0001062 0.49938 4.28016
75 5IN4 6CK 0.0001053 0.49915 4.28016
76 5IN4 GDP 0.0001147 0.49691 4.28016
77 5LD5 NAD 0.006337 0.41751 4.28016
78 1VI2 NAD 0.01601 0.4025 4.28016
79 3KO8 NAD 0.000002041 0.53098 4.66926
80 1E5Q NDP 0.0002467 0.46093 4.66926
81 4N9Z V3L 0.03364 0.40754 4.66926
82 3ORF NAD 0.0002896 0.45814 4.78088
83 3FIU POP 0.01708 0.43498 4.81928
84 4RHS SIA SIA GAL 0.04066 0.40194 4.91803
85 2C29 NAP 0.0000846 0.43649 5.05837
86 2Q1S NAI 0.0001815 0.43445 5.05837
87 2C29 DQH 0.0001064 0.43344 5.05837
88 1EK6 NAI 0.00001284 0.43341 5.05837
89 1SB8 NAD 0.00006089 0.42793 5.05837
90 1SB8 UD2 0.00002771 0.42632 5.05837
91 2VUT NAD 0.006284 0.42364 5.05837
92 1EK6 UPG 0.00004363 0.41245 5.05837
93 2B6N ALA PRO THR 0.045 0.40844 5.05837
94 2ZW5 COA 0.01619 0.40229 5.05837
95 2ZWA SAH 0.01642 0.40201 5.05837
96 4JK3 NAD 0.009618 0.40189 5.05837
97 2BKA NDP 0.00005784 0.48613 5.3719
98 1GZ6 NAI 0.000006006 0.51709 5.44747
99 4N49 SAM 0.01306 0.40924 5.44747
100 1KYQ NAD 0.02192 0.40752 5.44747
101 3JV7 NAD 0.007139 0.40009 5.44747
102 3RJ5 NAD 0.00000003062 0.57146 5.51181
103 1LTH NAD 0.001631 0.43997 5.83658
104 1PL6 NAD 0.006503 0.42297 5.83658
105 5E8J SAH 0.02281 0.41307 5.83658
106 1A5Z NAD 0.01266 0.40706 5.83658
107 1JIL 485 0.02154 0.40206 5.83658
108 4URG C2E 0.03013 0.42344 5.98802
109 1RPN NDP 0.000007002 0.49583 6.22568
110 3A1I UNU 0.04713 0.40349 6.22568
111 1UAY ADN 0.007899 0.43621 6.61157
112 5H81 NAP 0.005094 0.42465 6.61479
113 1UDB NAD 0.0001045 0.41212 6.61479
114 2B4R NAD 0.005115 0.40348 6.61479
115 1RJD SAM 0.02411 0.40258 6.61479
116 4K28 NAD 0.01128 0.40143 6.61479
117 1A27 NAP 0.000000006559 0.63783 7.00389
118 3WMX NAD 0.000003834 0.54251 7.00389
119 3HB5 NAP 0.00000003462 0.52148 7.00389
120 2PZM UDP 0.0001056 0.44238 7.00389
121 2PZM NAD 0.0001056 0.44238 7.00389
122 1GV0 NAD 0.005441 0.40475 7.00389
123 3ULK NDP 0.01435 0.40462 7.00389
124 5THY SAH 0.0066 0.42267 7.16049
125 1Y1P NMN AMP PO4 0.00002524 0.52204 7.393
126 1V6A TRE 0.00393 0.4725 7.393
127 2HK9 ATR 0.003851 0.46073 7.393
128 4GLL NAD 0.000008049 0.45153 7.393
129 4J1Q NDP 0.000004018 0.44481 7.393
130 9LDB NAD 0.002829 0.41347 7.393
131 3AB4 THR 0.04341 0.40896 7.393
132 2HMT NAI 0.001007 0.4559 7.63889
133 3CH6 NAP 0.00000006506 0.57221 7.7821
134 5L4S NAP 0.000000005523 0.56871 7.7821
135 5L4S 6KX 0.000000005523 0.56871 7.7821
136 1XSE NDP 0.00000003163 0.56226 7.7821
137 4TQG NDP 0.000005665 0.5265 7.7821
138 3CH6 311 0.00000006506 0.47429 7.7821
139 2HJR APR 0.001063 0.45132 7.92683
140 4K26 NDP 0.00000008058 0.58966 8.17121
141 4K26 SFF 0.00000008392 0.55197 8.17121
142 1RKX NAD 0.00001082 0.50719 8.17121
143 2Q1W NAD 0.00004334 0.48034 8.17121
144 3G4Q MCH 0.04698 0.40026 8.21918
145 2I3G NAP 0.002517 0.41544 8.23864
146 3WXB NDP 0.000000004564 0.63799 8.24373
147 5U9J GER 0.01874 0.42873 8.28402
148 5GT9 NAP 0.0000008943 0.47931 8.56031
149 2X6T NAP 0.0001296 0.46869 8.56031
150 1EQ2 NAP 0.0001906 0.4621 8.56031
151 3LKZ SFG 0.01767 0.40605 8.94942
152 5JJR SAH 0.02542 0.40148 8.94942
153 1MV8 NAD 0.01056 0.4002 8.94942
154 4PIV NDP 0.00001796 0.43887 9.33852
155 1I0Z NAI 0.001962 0.42222 9.33852
156 5L4L 7OX 0.0007253 0.40422 9.33852
157 1O6Z NAD 0.0126 0.40188 9.33852
158 4GGZ BTN 0.03651 0.40597 9.56522
159 3O26 NDP 0.0000000007122 0.56366 9.72763
160 2Q46 NAP 0.000008477 0.5195 9.88142
161 1LSS NAD 0.006268 0.42369 10
162 1N5D NDP 0.000000005943 0.63354 10.1167
163 1R6D NAD 0.0001023 0.45229 10.1167
164 1R6D DAU 0.0001463 0.44593 10.1167
165 3A4V NAD 0.000002527 0.51174 10.8949
166 3A4V PYR 0.000002527 0.51174 10.8949
167 3ABI NAD 0.0001227 0.46963 10.8949
168 4JNJ BTN 0.02617 0.41005 11.3043
169 3RFV NAI 0.00005135 0.49199 11.6732
170 5JAQ NAI 0.00002132 0.45908 11.6732
171 3RFV 15L 0.001387 0.43673 11.6732
172 3I6I NDP 0.001303 0.40976 11.6732
173 4R1S NAP 0.000005019 0.53767 12.0623
174 3V1Y NAD 0.005871 0.41079 12.0623
175 3H9E NAD 0.006557 0.4088 12.0623
176 1ZBQ NAD 0.000001966 0.5316 12.4514
177 2DKN NAI 0.00000001291 0.6322 13.3333
178 2CFC NAD 0.0000000446 0.61067 14.4
179 5L53 NAP 0.0000003306 0.45236 14.786
180 4NBT NAD 0.000000006427 0.64432 15.4167
181 3ZV6 NAD 0.0000002757 0.52657 15.9533
182 3ZV6 4HB 0.0000002534 0.5228 15.9533
183 1KEW TYD 0.00006338 0.45651 16.3424
184 1KEW NAD 0.00008821 0.45257 16.3424
185 1VL0 NAI 0.000003485 0.44277 16.7808
186 2B4Q NAP 0.00000009055 0.59294 17.1206
187 3U4C NDP 0.00002882 0.49824 17.5097
188 5BRP PNG 0.03588 0.4206 17.5097
189 4FN4 NAD 0.0000000552 0.60141 17.7165
190 1BDB NAD 0.0000001082 0.57478 17.8988
191 4NBW NAD 0.0000002982 0.48054 17.8988
192 2PK3 A2R 0.00001826 0.54359 18.2879
193 1W8D NAP 0.0000001289 0.61544 18.677
194 1W73 NAP 0.00000014 0.61391 18.677
195 1U7T NAD 0.0000001095 0.6006 18.677
196 1U7T TDT 0.00000001961 0.56502 18.677
197 1OAA OAA 0.00000002912 0.5482 18.677
198 1E3W NAD 0.0000000155 0.62312 19.0661
199 1E6W NAD 0.00000001758 0.62097 19.0661
200 3H4V DVP 0.00001003 0.47561 19.0661
201 3H4V NAP 0.00001104 0.47288 19.0661
202 1W6U NAP 0.0000000813 0.62401 19.4553
203 1GEG NAD 0.00000001014 0.63038 19.5312
204 4OSP NAP 0.0000002413 0.58133 19.8444
205 2FR1 NDP 0.000004393 0.51828 19.8444
206 5ITV NAI 0.0000000181 0.52607 21.1765
207 3GEG NAD 0.000001343 0.55634 21.4575
208 4EUE NAI 0.0000005989 0.5513 21.7899
209 1DSS NAD 0.006002 0.41301 22.179
210 2CDU ADP 0.02423 0.40541 22.179
211 1XHL NDP 0.0000001244 0.50698 23.7354
212 3V1U NAD 0.0000007816 0.57641 28.7938
213 4J7U NAP 0.00000002902 0.561 30.2083
214 4J7U YTZ 0.00000002902 0.561 30.2083
215 1Z6Z NAP 0.000000009374 0.63172 30.8511
216 2JAH NDP 0.00000008329 0.58911 31.9838
217 3VZS NAP 0.0000001059 0.52615 32.2957
218 3VZS CAA 0.0000004591 0.4454 32.2957
219 2GDZ NAD 0.000000004999 0.5383 32.6848
220 2JAP NDP 0.00000003903 0.60186 32.7935
221 4YAG NAI 0.000001801 0.5007 33.0739
222 2DTX BMA 0.0000002185 0.53765 34.6304
223 2BGM NAJ 0.00000008093 0.48965 35.4086
224 3AY6 NAI 0.00000006811 0.56368 35.7977
225 3AY6 BGC 0.0000004319 0.48515 35.7977
226 1MXH NAP 0.0000122 0.46415 36.2319
227 1MXH DHF 0.00001221 0.4641 36.2319
228 4CQM NAP 0.00000003675 0.60836 36.8852
229 3RKR NAP 0.00003698 0.56602 36.965
230 4QED NAP 0.0000008832 0.554 37.0968
231 4FC7 COA 0.00000006541 0.54912 37.7432
232 4FC7 NAP 0.00000006541 0.54208 37.7432
233 2RH4 EMO 0.0000003648 0.50407 37.7432
234 4O0L NDP 0.00000001207 0.62161 38.5455
235 1IY8 NAD 0.00000003351 0.60443 38.9105
236 1H5Q NAP 0.00000007897 0.59 39.2453
237 1XG5 NAP 0.00000002085 0.61242 39.4265
238 1JA9 NDP 0.0000001531 0.50547 40.146
239 3A28 NAD 0.000000009428 0.63163 40.3101
240 1O5I NAD 0.00002399 0.53813 40.5622
241 1ZK4 NAP 0.000000463 0.53823 40.6375
242 2ZAT NAP 0.00000001124 0.62862 40.856
243 3ICC NAP 0.00000001871 0.60874 41.9608
244 1GEE NAD 0.00000007665 0.59579 42.4125
245 3O03 NAP 0.0000003165 0.58729 42.8016
246 1G0N PHH 0.00000007712 0.5451 43.1907
247 1G0N NDP 0.00000008738 0.53393 43.1907
248 4KWI NAP 0.0000001194 0.54266 43.5798
249 4KWI 1TJ 0.0000001391 0.53652 43.5798
250 1AE1 NAP 0.00000004048 0.52658 43.5798
251 3JQA NAP 0.00000231 0.54677 43.9689
252 4CLO NAP 0.000002404 0.54606 43.9689
253 3JQB NAP 0.000002899 0.54275 43.9689
254 3JQG NAP 0.000003364 0.54013 43.9689
255 3BMO NAP 0.000002606 0.53999 43.9689
256 2WD7 NAP 0.000002813 0.53866 43.9689
257 4CM4 NAP 0.00000303 0.53737 43.9689
258 4CM8 NAP 0.00000309 0.53703 43.9689
259 5JDC NAP 0.000003129 0.53681 43.9689
260 5JCJ NAP 0.000003151 0.53669 43.9689
261 3BMQ NAP 0.000002813 0.53419 43.9689
262 4CMI NAP 0.000003646 0.53415 43.9689
263 3JQ9 NAP 0.000003878 0.5287 43.9689
264 3JQ7 NAP 0.000006468 0.52858 43.9689
265 3JQ8 NAP 0.000003972 0.52829 43.9689
266 3JQF NAP 0.000003996 0.52819 43.9689
267 3BMN NAP 0.000005322 0.52329 43.9689
268 5EPO NAP 0.0000006427 0.47905 43.9689
269 5JDI NAP 0.000002116 0.45862 43.9689
270 4CM9 NAP 0.000003341 0.45635 43.9689
271 4CLR NAP 0.000002971 0.45393 43.9689
272 5K6A NAP 0.000004596 0.45146 43.9689
273 4CME NAP 0.000004508 0.4492 43.9689
274 3QWI NAP 0.0000001156 0.57857 45.1362
275 3QWI CUE 0.0000002947 0.5256 45.1362
276 3SJU NDP 0.00000001385 0.61931 45.5253
277 1XKQ NDP 0.0000001915 0.56545 45.5253
278 2AG5 NAD 0.0000000772 0.59567 45.5285
279 1Q7B NAP 0.0000003956 0.56773 45.9016
280 1YXM ADE 0.0002637 0.52987 46.6926
281 1PR9 NAP 0.00000001993 0.53477 48.3607
282 3D3W NAP 0.00000002966 0.52942 48.3607
283 1VL8 NAP 0.000000005163 0.62444 48.6381
Pocket No.: 4; Query (leader) PDB : 3OJF; Ligand: IMJ; 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: 3ojf.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3OJF; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3ojf.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3OJF; Ligand: IMJ; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3ojf.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3OJF; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3ojf.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3OJF; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3ojf.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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