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Receptor
PDB id Resolution Class Description Source Keywords
4CV2 1.8 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF E. COLI FABI IN COMPLEX WITH NADH AND CG400549 ESCHERICHIA COLI SHORT-CHAIN DEHYDROGENASE/REDUCTASE SUPERFAMILY FATTY ACID BIOSYNTHESIS LIPID SYNTHESIS ECFABI OXIDOREDUCTASE
Ref.: RATIONAL DESIGN OF BROAD SPECTRUM ANTIBACTERIAL ACT BASED ON A CLINICALLY RELEVANT ENOYL-ACYL CARRIER P (ACP) REDUCTASE INHIBITOR. J.BIOL.CHEM. V. 289 15987 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAI A:1258;
B:1258;
Valid;
Valid;
none;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
PT6 A:1259;
B:1259;
Valid;
Valid;
none;
none;
submit data
340.439 C19 H20 N2 O2 S Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QG6 1.9 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF E. COLI ENOYL ACYL CARRIER PROTEIN REDUCTASE IN COMPLEX WITH NAD AND TRICLOSAN ESCHERICHIA COLI FATTY ACID SYNTHESIS ANTIBACTERIAL OXIDOREDUCTASE
Ref.: KINETIC AND STRUCTURAL CHARACTERISTICS OF THE INHIBITION OF ENOYL (ACYL CARRIER PROTEIN) REDUCTASE BY TRICLOSAN. BIOCHEMISTRY V. 38 12514 1999
Members (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 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....
70% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 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 4BKU - 1S5 C19 H26 N2 O2 CCCCCCC1=C....
19 5I8W Ki = 55 nM 69H C19 H23 F O2 CCCCCCc1cc....
20 5I9M Ki = 55 nM 69K C14 H14 F N O2 CCc1cc(c(c....
21 5I8Z Ki = 158 nM JA1 C18 H21 N O4 CCCCCCc1cc....
22 5I7S Ki = 32 nM E9P C14 H14 O2 CCc1ccc(c(....
23 5I9L Ki = 153 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
24 5CG1 - NAD BBN n/a n/a
25 5CG2 - NAD CJ3 n/a n/a
50% Homology Family (143)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 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 4BNK Ki = 1.42 nM FPL C12 H9 F O2 c1ccc(cc1)....
19 4ALI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
20 4CV0 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
21 4D41 Ki = 0.05 nM JA1 C18 H21 N O4 CCCCCCc1cc....
22 4BNG Ki = 0.04 nM 5PP C17 H20 O2 CCCCCc1ccc....
23 4BNL Ki = 110 pM W1G C15 H14 O2 C=CCc1ccc(....
24 4D45 Ki = 0.17 nM J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
25 4BNM - TCU C19 H24 O2 CCCCCCc1cc....
26 4ALK - GLU C5 H9 N O4 C(CC(=O)O)....
27 3GR6 Kd = 18.6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 4BNH Ki = 10 pM 6PN C18 H22 O2 CCCCCCc1cc....
29 4BNI Ki = 120 pM P1F C18 H23 N O2 CCCCCCc1cc....
30 4BNN Ki = 120 pM JUS C19 H21 N O2 CCCCCCc1cc....
31 4CV1 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
32 4BNJ Ki = 380 pM MJ5 C13 H12 O2 Cc1ccc(c(c....
33 4FS3 Ki = 12.8 nM 0WE C22 H23 N3 O3 Cc1c2ccccc....
34 4D44 Ki = 0.35 nM JA3 C13 H11 F2 N O2 CCc1cc(c(c....
35 4D43 Ki = 0.75 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
36 4ALJ - GLU C5 H9 N O4 C(CC(=O)O)....
37 4BNF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
38 4D42 Ki = 0.01 nM W0I C18 H21 F O2 CCCCCCc1cc....
39 5CPB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 5MTR Ki = 350 nM XT0 C21 H20 N4 O2 c1ccc(c(c1....
41 4BGI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 4OHU Ki = 0.2 nM 2TK C18 H21 Br O2 CCCCCCc1cc....
43 4OIM Ki = 2.14 nM JUS C19 H21 N O2 CCCCCCc1cc....
44 2IDZ Kd < 0.4 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
45 2AQH Kd = 14.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 6EP8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 4BII - PYW C27 H32 N4 O8 CC/C(=C1/C....
48 3FNG ic50 = 110 nM JPL C19 H20 Cl2 O2 c1cc(c(cc1....
49 2H9I - EAD C29 H36 N8 O15 P2 CCc1cc(ccn....
50 5OIC ic50 < 1 mM 9VQ C11 H12 N2 O c1cnn(c1)C....
51 1ENY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 2NSD ic50 = 5.16 uM 4PI C20 H23 N O Cc1ccc(cc1....
53 2X23 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
54 5G0U ic50 = 0.297 uM 9CV C30 H31 F N6 O2 CNC(=O)c1c....
55 4TRN - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 5OIM ic50 = 790 uM 9VZ C11 H15 N O2 S CCOC(=O)[C....
57 2X22 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
58 4DQU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 2IE0 - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
60 4U0J ic50 = 10.66 uM 566 C17 H22 N2 O2 c1ccc(cc1)....
61 4COD ic50 = 34 nM KV1 C23 H27 N5 O4 CCc1cc(n(n....
62 5COQ Ki = 427.5 nM TCU C19 H24 O2 CCCCCCc1cc....
63 2AQ8 Kd = 2.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
64 4TZK ic50 = 0.39 uM 641 C17 H20 Cl2 N2 O2 c1c(cc(cc1....
65 4QXM ic50 = 0.05 uM 713 C20 H19 Cl F N3 O Cc1cc(n(n1....
66 4BGE - PYW C27 H32 N4 O8 CC/C(=C1/C....
67 2PR2 Ki = 130 nM DG1 C27 H33 N8 O18 P3 c1cnccc1C(....
68 5OIR Kd = 6.3 uM 9W8 C16 H20 N4 O CC1=CC(=O)....
69 2NTJ Ki = 2 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
70 5G0W ic50 = 16.3 uM 9NU C32 H40 N6 O5 C[C@H]([C@....
71 5MTP Ki = 610 nM 53K C22 H19 N3 O2 Cc1ccccc1O....
72 4TRJ ic50 = 0.89 uM 665 C17 H21 Br N2 O2 c1cc(cc(c1....
73 3FNF ic50 = 51 nM JPM C19 H14 Cl2 O2 c1ccc(cc1)....
74 4BQR ic50 = 0.2 uM IBH C16 H14 F2 N4 O2 S2 Cc1csc(n1)....
75 5VRM - 9JJ C35 H37 B F3 N7 O17 P2 B1(c2cc(cc....
76 4BQP Kd = 13.7 nM VMY C18 H16 F2 N6 O S2 Cc1csc(n1)....
77 5OIS ic50 = 500 nM 9WK C19 H18 Cl F N4 O Cc1cc(n(n1....
78 4OXK Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
79 5UGU Ki = 370 nM XTV C19 H16 N4 O2 c1ccc(c(c1....
80 5OIP ic50 = 79 uM 9WE C16 H20 N6 O c1cc(cnc1)....
81 4OYR Ki = 0.96 nM 1US C18 H21 Cl O2 CCCCCCc1cc....
82 4DTI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
83 3OF2 Kd = 4.7 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
84 3OEY Kd = 3.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
85 2AQI Kd = 32 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
86 5G0S ic50 = 0.065 uM EEH C33 H40 N4 O4 S Cc1c2ccccc....
87 2NV6 ic50 = 323 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
88 4U0K ic50 = 0.97 uM 744 C18 H23 Cl N2 O2 Cc1ccc(cc1....
89 4DRE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
90 4TRO Ki = 0.75 nM NAD ZID n/a n/a
91 2AQK Kd = 23 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
92 5OIF ic50 = 500 uM 9W5 C11 H13 N3 Cc1cc(n(n1....
93 5G0V ic50 = 5.917 uM JDD C24 H28 N6 O2 CNC(=O)CN(....
94 5G0T ic50 = 0.057 uM S72 C29 H35 F N6 O3 Cc1c(nnn1C....
95 2NTV Ki = 11 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
96 4OXY Ki = 129 nM 1TN C18 H21 N O4 CCCCCCc1cc....
97 2IEB - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
98 3FNE ic50 = 29 nM 8PC C18 H13 Cl2 N O2 c1ccnc(c1)....
99 2B35 Ki = 0.22 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
100 4TZT ic50 = 23.12 uM 468 C18 H23 Cl N2 O2 Cc1c(cccc1....
101 4OXN Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
102 5CP8 Ki = 1570.6 nM TCU C19 H24 O2 CCCCCCc1cc....
103 3OEW Kd = 1.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
104 1D7O - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
105 1CWU - NAD TDB n/a n/a
106 1ENO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
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 2WYV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
114 2WYW - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
115 2ZTV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
116 3LT4 Ki = 0.1 uM FB4 C12 H9 Cl2 N O2 c1cc(c(cc1....
117 3AM4 ic50 = 97 nM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
118 2O2Y Ki = 0.4 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
119 1VRW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
120 1UH5 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
121 3AM3 Ki = 28 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
122 3LT1 Ki = 0.32 uM FT2 C13 H9 Cl3 O2 c1cc(c(cc1....
123 4IGE ic50 = 0.25 uM CHJ C16 H11 Cl O4 CC1=CC(=O)....
124 2OL4 ic50 = 440 nM JPN C21 H18 Cl2 O2 c1ccc(cc1)....
125 3LT0 Ki = 0.18 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
126 3AM5 Ki = 38 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
127 4IGF ic50 = 6 uM CHV C15 H9 Cl O5 c1cc2c(cc1....
128 1ZK1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
129 2WSB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
130 5CG1 - NAD BBN n/a n/a
131 5CG2 - NAD CJ3 n/a n/a
132 5OVL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
133 5YCS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
134 2QIO ic50 = 3.6 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
135 3OJF ic50 = 0.06 uM IMJ C23 H24 N4 O2 Cc1c(c2ccc....
136 5YCR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
137 3OIG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
138 4O1M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
139 3OID - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
140 2PD4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
141 2PD3 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
142 1EDO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
143 4Q9N ic50 = 0.95 uM 0WE C22 H23 N3 O3 Cc1c2ccccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAI; Similar ligands found: 262
No: Ligand ECFP6 Tc MDL keys Tc
1 NAI 1 1
2 0WD 0.814815 0.986842
3 NDP 0.803738 0.986842
4 AP0 0.743119 0.961039
5 NMN AMP PO4 0.704348 0.960526
6 NAX 0.663717 0.961538
7 A2D 0.659574 0.933333
8 80F 0.65 0.925926
9 6V0 0.649123 0.986842
10 TXE 0.62931 0.948052
11 BA3 0.628866 0.933333
12 AP5 0.622449 0.933333
13 B4P 0.622449 0.933333
14 TXD 0.62069 0.923077
15 AR6 0.613861 0.907895
16 APR 0.613861 0.907895
17 EAD 0.609375 0.961538
18 SAP 0.607843 0.8625
19 AGS 0.607843 0.8625
20 ADP 0.606061 0.907895
21 HEJ 0.60396 0.907895
22 50T 0.60396 0.871795
23 ATP 0.60396 0.907895
24 AN2 0.6 0.896104
25 AT4 0.6 0.873418
26 A22 0.598131 0.921053
27 AQP 0.598039 0.907895
28 5FA 0.598039 0.907895
29 M33 0.594059 0.896104
30 CA0 0.594059 0.909091
31 AD9 0.592233 0.884615
32 NAJ PZO 0.592 0.935897
33 P1H 0.590909 0.9375
34 ACP 0.588235 0.884615
35 4AD 0.587156 0.886076
36 A1R 0.587156 0.851852
37 PRX 0.582524 0.8375
38 ANP 0.580952 0.884615
39 3OD 0.580357 0.909091
40 SRP 0.579439 0.873418
41 ADX 0.578431 0.821429
42 OAD 0.576577 0.909091
43 5AL 0.575472 0.896104
44 NAJ PYZ 0.573643 0.890244
45 A3R 0.572727 0.851852
46 ADJ 0.569106 0.890244
47 UP5 0.566667 0.960526
48 ACQ 0.566038 0.884615
49 9X8 0.5625 0.8625
50 A 0.561224 0.881579
51 AMP 0.561224 0.881579
52 ATF 0.555556 0.873418
53 6YZ 0.550459 0.884615
54 8QN 0.54955 0.896104
55 25L 0.547826 0.921053
56 4TC 0.544715 0.935897
57 AMO 0.544643 0.897436
58 PAJ 0.544643 0.853659
59 ADQ 0.544643 0.909091
60 ABM 0.544554 0.858974
61 NPW 0.544 0.949367
62 WAQ 0.54386 0.851852
63 LAD 0.54386 0.831325
64 PR8 0.54386 0.821429
65 DQV 0.541667 0.946667
66 DG1 0.541353 0.986842
67 1DG 0.541353 0.986842
68 00A 0.539823 0.875
69 NZQ 0.539683 0.974026
70 BIS 0.53913 0.851852
71 1ZZ 0.53913 0.811765
72 APC 0.537736 0.873418
73 OMR 0.536585 0.823529
74 OOB 0.535714 0.921053
75 25A 0.535714 0.907895
76 5SV 0.535714 0.797619
77 3UK 0.535088 0.909091
78 A12 0.533981 0.873418
79 AP2 0.533981 0.873418
80 B5V 0.530435 0.897436
81 DND 0.528455 0.922078
82 NXX 0.528455 0.922078
83 CNA 0.527559 0.922078
84 DLL 0.526316 0.921053
85 AHX 0.526316 0.864198
86 PTJ 0.525862 0.841463
87 ME8 0.525862 0.811765
88 FYA 0.525862 0.871795
89 NB8 0.525862 0.864198
90 B5M 0.525424 0.886076
91 YAP 0.525424 0.886076
92 SRA 0.524752 0.8375
93 SON 0.52381 0.873418
94 TAT 0.522936 0.873418
95 T99 0.522936 0.873418
96 ADP VO4 0.522523 0.871795
97 VO4 ADP 0.522523 0.871795
98 48N 0.520325 0.864198
99 YLP 0.520325 0.793103
100 YLB 0.52 0.793103
101 AU1 0.518868 0.884615
102 ADP PO3 0.518519 0.881579
103 9SN 0.516949 0.864198
104 DAL AMP 0.513274 0.871795
105 TXA 0.512821 0.897436
106 B5Y 0.512605 0.886076
107 FA5 0.512605 0.897436
108 GAP 0.509091 0.860759
109 9ZA 0.508772 0.851852
110 9ZD 0.508772 0.851852
111 4UU 0.508197 0.960526
112 YLC 0.507937 0.833333
113 T5A 0.507812 0.925926
114 RBY 0.504587 0.873418
115 ADV 0.504587 0.873418
116 TYR AMP 0.504132 0.8625
117 4UW 0.504 0.924051
118 TXP 0.503876 0.911392
119 ALF ADP 0.5 0.817073
120 G3A 0.5 0.8875
121 F2R 0.5 0.813953
122 TYM 0.5 0.897436
123 ADP ALF 0.5 0.817073
124 LAQ 0.5 0.811765
125 COD 0.496183 0.786517
126 139 0.496124 0.9125
127 YLA 0.496124 0.813953
128 G5P 0.495935 0.8875
129 AFH 0.495935 0.853659
130 XAH 0.495868 0.811765
131 BT5 0.492424 0.784091
132 AYB 0.492308 0.784091
133 A4P 0.492188 0.880952
134 GTA 0.491935 0.855422
135 4UV 0.491803 0.960526
136 A2R 0.491228 0.896104
137 MAP 0.486957 0.8625
138 NAD 0.484848 0.921053
139 XNP 0.484848 0.936709
140 UPA 0.484375 0.948052
141 7MD 0.483871 0.833333
142 ARG AMP 0.483871 0.781609
143 MYR AMP 0.483333 0.790698
144 NA7 0.483051 0.873418
145 YLY 0.477941 0.784091
146 ATR 0.477477 0.881579
147 AOC 0.47619 0.792208
148 ATP A A A 0.47541 0.894737
149 BTX 0.473684 0.793103
150 5AS 0.472222 0.736264
151 GA7 0.472 0.873418
152 LMS 0.471154 0.77907
153 NAQ 0.471014 0.864198
154 ADP BMA 0.470588 0.884615
155 N0B 0.467626 0.835294
156 A A 0.466667 0.883117
157 A3D 0.466667 0.909091
158 NJP 0.466165 0.910256
159 IOT 0.465649 0.784091
160 AF3 ADP 3PG 0.465116 0.809524
161 PAP 0.464286 0.894737
162 NAE 0.463768 0.886076
163 7MC 0.461538 0.813953
164 DZD 0.459259 0.876543
165 ZID 0.457143 0.909091
166 TAD 0.456693 0.853659
167 2A5 0.455357 0.8375
168 62F 0.453947 0.833333
169 AHZ 0.453125 0.790698
170 FB0 0.452055 0.76087
171 JB6 0.45082 0.851852
172 ITT 0.45045 0.857143
173 7D4 0.45045 0.825
174 LPA AMP 0.449612 0.790698
175 G5A 0.447368 0.755556
176 LEU LMS 0.446281 0.731183
177 M24 0.446043 0.843373
178 AVV 0.445378 0.841463
179 NDC 0.442177 0.864198
180 NSS 0.441667 0.775281
181 4TA 0.441176 0.890244
182 VMS 0.440678 0.764045
183 54H 0.440678 0.764045
184 7D3 0.440367 0.825
185 5CD 0.44 0.753247
186 PPS 0.439655 0.8
187 XYA 0.438776 0.789474
188 ADN 0.438776 0.789474
189 RAB 0.438776 0.789474
190 NDE 0.438356 0.897436
191 NVA LMS 0.438017 0.731183
192 AR6 AR6 0.4375 0.883117
193 TSB 0.436975 0.793103
194 53H 0.436975 0.755556
195 8X1 0.436975 0.731183
196 DTA 0.436893 0.759494
197 A2P 0.436364 0.868421
198 A3P 0.436364 0.881579
199 A5A 0.435897 0.781609
200 FNK 0.435065 0.840909
201 HFD 0.434783 0.8625
202 ODP 0.433824 0.924051
203 SFG 0.433628 0.725
204 Z5A 0.433566 0.858824
205 6FA 0.433333 0.835294
206 SSA 0.432203 0.775281
207 J7C 0.431193 0.702381
208 DTP 0.431034 0.825
209 P5A 0.430894 0.723404
210 AMP NAD 0.430657 0.896104
211 5N5 0.43 0.766234
212 DSZ 0.429752 0.775281
213 LSS 0.429752 0.73913
214 52H 0.428571 0.755556
215 SFD 0.427632 0.731959
216 9K8 0.427419 0.712766
217 6AD 0.42735 0.831325
218 EP4 0.427184 0.707317
219 FDA 0.426667 0.870588
220 ARU 0.42623 0.788235
221 6RE 0.425926 0.694118
222 A4D 0.425743 0.766234
223 5CA 0.425 0.775281
224 3DH 0.424528 0.725
225 AV2 0.423729 0.835443
226 AMP DBH 0.421875 0.860759
227 U A 0.421429 0.923077
228 DAT 0.421053 0.825
229 5X8 0.421053 0.7375
230 GSU 0.419355 0.755556
231 MTA 0.419048 0.725
232 3AT 0.418803 0.883117
233 ETB 0.41844 0.786517
234 DCA 0.41844 0.777778
235 FAD 0.418301 0.845238
236 FAS 0.418301 0.845238
237 A3N 0.418182 0.759494
238 F2N 0.417178 0.850575
239 7D5 0.415094 0.8
240 A U 0.414815 0.910256
241 YSA 0.414062 0.775281
242 0T1 0.412587 0.777778
243 A C A C 0.411348 0.8875
244 2AM 0.411215 0.857143
245 9JJ 0.409938 0.855422
246 M2T 0.409524 0.690476
247 KAA 0.408 0.731183
248 7C5 0.407692 0.790123
249 3AM 0.407407 0.844156
250 NAP 0.406897 0.909091
251 8PZ 0.40625 0.795455
252 PUA 0.405594 0.9
253 FAY 0.405063 0.855422
254 P5F 0.404908 0.83908
255 EEM 0.403361 0.670455
256 COA 0.402778 0.777778
257 RFL 0.402516 0.816092
258 GJV 0.401786 0.686047
259 SA8 0.401709 0.686047
260 U A C C 0.401408 0.898734
261 WSA 0.4 0.784091
262 G A A A 0.4 0.841463
Ligand no: 2; Ligand: PT6; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PT6 1 1
2 AEW 0.471264 0.625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QG6; Ligand: NAD; Similar sites found with APoc: 467
This union binding pocket(no: 1) in the query (biounit: 1qg6.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 1RL4 BL5 1.06383
2 2UYQ SAM 1.14943
3 1XFF GLU 1.25
4 4PVD NDP 1.53257
5 4Y9D NAI 1.53257
6 1RJD SAM 1.53257
7 1KEW NAD 1.91571
8 1KEW TYD 1.91571
9 3O7W SAM 1.91571
10 3R4S SLB 1.91571
11 4XB2 NDP 1.91571
12 3H5N ATP 1.91571
13 5TC4 NAD 1.91571
14 2B4R AES 1.91571
15 2B4R NAD 1.91571
16 4KOA NDP 1.91571
17 5OOH 9ZZ 1.94175
18 5OOH NAP 1.94175
19 3ABI NAD 2.29885
20 2C5A NAD 2.29885
21 2C5A GDC 2.29885
22 1BW9 NAD 2.29885
23 1UDB NAD 2.29885
24 1UDB UFG 2.29885
25 5H81 NAP 2.29885
26 3I7S PYR 2.29885
27 6GKV SAH 2.29885
28 6DNT NAD 2.68199
29 1BXK NAD 2.68199
30 4E13 NAD 2.68199
31 4GLL NAD 2.68199
32 5ERG SAM 2.68199
33 1SB8 NAD 2.68199
34 1SB8 UD2 2.68199
35 3H9E NAD 2.68199
36 4IX4 ADP 2.68199
37 6CMJ F6J 2.68199
38 6CEP NAD 2.68199
39 6CEP OXM 2.68199
40 2GZ3 NAP 2.68199
41 2Q46 NAP 2.7668
42 1Y1P NMN AMP PO4 2.92398
43 1Z6Z NAP 3.06513
44 4J7U NAP 3.06513
45 4J7U YTZ 3.06513
46 4HXY NDP 3.06513
47 5GT9 NAP 3.06513
48 5MSO NAP 3.06513
49 1RKX NAD 3.06513
50 2GN4 UD1 3.06513
51 2GN4 NDP 3.06513
52 1V6A TRE 3.06513
53 1WVG APR 3.06513
54 2IZ1 ATR 3.06513
55 1E5Q NDP 3.06513
56 3B1F NAD 3.06513
57 4D3F NAP 3.06513
58 3FSY SCA 3.06513
59 4OM8 NAD 3.06513
60 2F5X ASP 3.06513
61 4B4U NAP 3.06513
62 4RP9 ASC 3.06513
63 2ZTG A5A 3.06513
64 1O6Z NAD 3.06513
65 4O08 PO6 3.06513
66 4C4A SAH 3.06513
67 3BP1 GUN 3.06513
68 3LKZ SFG 3.06513
69 5UR0 NAD 3.06513
70 4N49 SAM 3.06513
71 4Z0H NAD 3.06513
72 5LD5 NAD 3.06513
73 1KYZ SAH 3.06513
74 4KQW NAP 3.06513
75 5ZZ6 ADP 3.36538
76 5ZZ6 NAD 3.36538
77 5O98 NAP 3.44828
78 1U7T NAD 3.44828
79 1U7T TDT 3.44828
80 1E7S NAP 3.44828
81 1A27 NAP 3.44828
82 2FR1 NDP 3.44828
83 3HB5 NAP 3.44828
84 3LU1 NAD 3.44828
85 2HK9 ATR 3.44828
86 3L9W AMP 3.44828
87 4U7W NDP 3.44828
88 1GV0 NAD 3.44828
89 2J5V PCA 3.44828
90 2RCA GLY 3.44828
91 3V1Y NAD 3.44828
92 1HYE NAP 3.44828
93 1TZD ADP 3.44828
94 1GUZ NAD 3.44828
95 1OMO NAD 3.44828
96 4IVN BMX 3.44828
97 5OCM NAP 3.44828
98 4XDZ NDP 3.44828
99 3PT9 SAH 3.44828
100 3RJ5 NAD 3.54331
101 5ZEC NAP 3.83142
102 5IN4 6CK 3.83142
103 5IN4 GDP 3.83142
104 5IN4 NAP 3.83142
105 2G2Y MLI 3.83142
106 5OJL TXP 3.83142
107 1A99 PUT 3.83142
108 2ZWA SAH 3.83142
109 2HIM ASN 3.83142
110 3B20 NAD 3.83142
111 1SC6 NAD 3.83142
112 1PL6 NAD 3.83142
113 2D2I NAP 3.83142
114 1PL6 572 3.83142
115 5JJR SAH 3.83142
116 1YS4 NAP 3.83142
117 3L4S NAD 3.83142
118 1M2W NAD 3.83142
119 2POC BG6 3.83142
120 3ORF NAD 3.98406
121 2WA2 SAM 3.98551
122 2VT3 ATP 4.18605
123 1T0I FMN 4.18848
124 4RUS NAG 4.20168
125 4R1S NAP 4.21456
126 6EL3 NAP 4.21456
127 5DF1 58X 4.21456
128 5DF1 NAP 4.21456
129 1DNP MHF 4.21456
130 5MPT SAH 4.21456
131 2PZM UDP 4.21456
132 2PZM NAD 4.21456
133 1ZQ9 SAM 4.21456
134 3I6I NDP 4.21456
135 1DSS NAD 4.21456
136 4ZFL 4NK 4.21456
137 3I8P 840 4.21456
138 6C4M NAP 4.21456
139 2WVZ KIF 4.21456
140 1F8G NAD 4.21456
141 4URS C2E 4.25532
142 4YEF 4CQ 4.49438
143 1UAY ADN 4.54545
144 5E8J SAH 4.54545
145 1GZ6 NAI 4.5977
146 5K4W NAI 4.5977
147 6BWL NAD 4.5977
148 5K4W THR 4.5977
149 1ORR NAD 4.5977
150 1WDK NAD 4.5977
151 6C4T NA7 4.5977
152 1RM4 NDP 4.5977
153 1NVT NAP 4.5977
154 1KYQ NAD 4.5977
155 2Q1S NAI 4.5977
156 1J0X NAD 4.5977
157 3C3Y SAH 4.64135
158 1WMA AB3 4.98084
159 1WMA NDP 4.98084
160 1ZBQ NAD 4.98084
161 1Z45 NAD 4.98084
162 1RPN NDP 4.98084
163 1I36 NAP 4.98084
164 4GK9 MAN BMA MAN MAN MAN 4.98084
165 5KVS NAP 4.98084
166 2EXX NAP 4.98084
167 3A06 NDP 4.98084
168 5Z49 RUB 5.02092
169 1HDR NAD 5.32787
170 4YAC NAI 5.36398
171 5MLR NAP 5.36398
172 5MLR GRQ 5.36398
173 1LTH NAD 5.36398
174 2C29 NAP 5.36398
175 3TDC 0EU 5.36398
176 2C29 DQH 5.36398
177 3EVG SAH 5.36398
178 6D6Y SAH 5.36398
179 1YJQ NAP 5.36398
180 2P41 SAH 5.36398
181 2VDV SAM 5.69106
182 2V6G NAP 5.74713
183 1VL0 NAI 5.74713
184 6C4N NAP 5.74713
185 3H8V ATP 5.74713
186 5L95 AMP 5.74713
187 1EBF NAD 5.74713
188 1DCP HBI 5.76923
189 5OFW 9TW 5.8296
190 3WMX NAD 6.13027
191 4PIV NDP 6.13027
192 1ZGA SAH 6.13027
193 2I3G NAP 6.13027
194 3FXU TSU 6.13027
195 2AG8 NAP 6.13027
196 3HQP FDP 6.13027
197 5BSH PRO 6.13027
198 3TN7 NJP 6.22568
199 1LSS NAD 6.42857
200 3A4V NAD 6.51341
201 3A4V PYR 6.51341
202 4ZRN NAD 6.51341
203 3TTM PUT 6.51341
204 1TI7 NAP 6.51341
205 4ZRN UPG 6.51341
206 2VUT NAD 6.51341
207 3CIF NAD 6.51341
208 3UBM COA 6.51341
209 3CIF G3H 6.51341
210 4DPL NAP 6.51341
211 2XVM SAH 6.53266
212 5N53 8NB 6.66667
213 1N7G NDP 6.89655
214 1N7G GDR 6.89655
215 4ZGS NAD 6.89655
216 4EKV BTN 6.91824
217 3KO8 NAD 7.27969
218 5Y1G NAD 7.27969
219 5Y1G AKB 7.27969
220 1R6D DAU 7.27969
221 1V8B ADN 7.27969
222 3R75 PYR 7.27969
223 5CX6 CDP 7.27969
224 5JE8 NAD 7.27969
225 1R6D NAD 7.27969
226 2PWY SAH 7.36434
227 3GD8 GOL 7.62332
228 2HMT NAI 7.63889
229 1N5D NDP 7.66284
230 1GY8 NAD 7.66284
231 6EGU 43Y 7.66284
232 5NM7 GLY 7.66284
233 5AOV GLV 7.66284
234 2VYN NAD 7.66284
235 1GAD NAD 7.66284
236 1LDN NAD 7.66284
237 5WQP NAP 7.69231
238 5WQP NCA 7.69231
239 5FI3 NAP 7.84314
240 1H5R G1P 8.04598
241 4G5H NAP 8.42912
242 4G5H UD7 8.42912
243 9LDT NAD 8.42912
244 9LDB NAD 8.42912
245 5UAV TFB 8.42912
246 4J1Q NDP 8.81226
247 2X6T NAP 8.81226
248 1EQ2 NAP 8.81226
249 1EK6 UPG 8.81226
250 1EK6 NAI 8.81226
251 1OC2 TDX 8.81226
252 1OC2 NAD 8.81226
253 1LDM NAD 8.81226
254 4M37 SAH 8.81226
255 4M38 SAH 8.81226
256 5ZZO FLC 8.95522
257 4RHS SIA SIA GAL 9.01639
258 5U6V 7WY 9.09091
259 3EXH TPP 9.1954
260 5KOK SAH 9.1954
261 5XWV 8H6 9.27419
262 5XWV NDP 9.27419
263 2YY7 NAD 9.57854
264 2QES ADE 9.57854
265 2G5C NAD 9.57854
266 3QV1 NAD 9.7561
267 1QK3 5GP 9.87124
268 5JAQ NAI 9.96169
269 5VRH OLC 9.96169
270 3GGO NAI 9.96169
271 1Y7P RIP 10.3139
272 2BKA NDP 10.3306
273 5L4L NAP 10.3448
274 4QM9 CYS 10.3448
275 1PJS NAD 10.3448
276 3G5S GSH 10.3448
277 5L4L 7OX 10.3448
278 4U5X GNP 10.6742
279 2F1K NAP 10.728
280 2DBZ NAP 10.728
281 6FDF SAH 11.1111
282 1NYT NAP 11.1111
283 1XSE NDP 11.4943
284 2Q1W NAD 11.4943
285 1CER NAD 11.4943
286 5THY SAH 11.8774
287 4RDH AMP 11.8774
288 5THZ SAH 11.8774
289 4LHD GLY 11.8774
290 4RDI ATP 11.8774
291 2BD0 NAP 11.8852
292 1SU2 ATP 11.9497
293 5YEC ATP 12.2605
294 4OEV OXL 12.6437
295 2RC8 DSN 12.6437
296 3RFV NAI 13.0268
297 5F5N NAD 13.0268
298 3RFV 15L 13.0268
299 2HJR APR 13.41
300 2HJR CIT 13.41
301 2DKN NAI 13.7255
302 1E3W NAD 13.7931
303 1E6W NAD 13.8462
304 5Z75 NAD 14.1762
305 3O26 NDP 14.1762
306 3SJU NDP 14.5594
307 1OAA OAA 14.6718
308 1HYH NAD 15.3257
309 6HKE LMR 15.3257
310 6HKE MLT 15.3257
311 3TKY SAH 15.7088
312 6AA8 NAD 16.092
313 4D79 ATP 16.3043
314 1NFQ NAI 16.5385
315 4NBT NAD 16.6667
316 4NBW NAD 17.5097
317 1X1T NAD 17.6923
318 2PK3 A2R 18.0077
319 3VZS NAP 18.2879
320 1FK8 NAD 18.2879
321 3VZS CAA 18.2879
322 1XG5 NAP 18.3908
323 5L4S NAP 18.7739
324 5L4S 6KX 18.7739
325 3GCZ SAM 19.1489
326 5L53 NAP 19.1571
327 2JL1 NAP 19.1571
328 4JP3 CIT 19.6653
329 4ZA2 NAD 19.7628
330 4EUE NAI 19.9234
331 4TQG NDP 19.9234
332 5TG5 JW8 20.4082
333 5EJ2 NAD 20.6897
334 1SNY NAP 21.0728
335 4FC7 COA 21.4559
336 4FC7 NAP 21.4559
337 1I2B UPG 21.8391
338 1I2B USQ 21.8391
339 1I2B NAD 21.8391
340 2OOR NAD 22.4138
341 4K26 NDP 22.6054
342 4K26 SFF 22.6054
343 3WXB NDP 24.1379
344 3GEG NAD 25.1012
345 3CH6 311 25.2874
346 3CH6 NAP 25.2874
347 2ZAT NAP 28.0769
348 2CFC NAD 30.4
349 4YAG NAI 31.0345
350 5BJX NAD 31.0345
351 5BJX UDP 31.0345
352 3U4C NDP 32.9502
353 5GWT NAD 33.3333
354 1IY8 NAD 33.3333
355 5GWT SIN 33.3333
356 2BGM NAJ 34.0996
357 2JAH NDP 34.413
358 2JAP NDP 35.2227
359 4QED NAP 35.4839
360 2GDZ NAD 36.0153
361 3RKR NAP 36.6412
362 4OSP NAP 37.5479
363 1ZK4 AC0 38.247
364 1ZK4 NAP 38.247
365 1GEG NAD 38.2812
366 2B4Q NAP 39.0805
367 1W73 NAP 39.404
368 1W8D NAP 39.404
369 4ITU NAI 39.4052
370 4ITU 1HS 39.4052
371 2RH4 EMO 39.4636
372 2Q2V NAD 39.6078
373 5O42 BGC 39.781
374 5O42 NAD 39.781
375 5O42 9JW 39.781
376 4O0L NDP 40.2299
377 4RF2 NAP 40.9962
378 1GEE NAD 40.9962
379 3V1U NAD 40.9962
380 4KWI NAP 40.9962
381 4KWI 1TJ 40.9962
382 3A28 NAD 41.0853
383 6CI9 NAP 41.3127
384 1W6U NAP 41.3793
385 1BDB NAD 41.3793
386 5WUW NAP 41.3793
387 4URF NAD 41.5323
388 5THQ NDP 41.7625
389 5G4L NDP 41.7625
390 5YSS NAD 41.7969
391 4CQM NAP 41.8033
392 2AE2 NAP 41.9231
393 2AE2 PTO 41.9231
394 6F9Q NAD 42.1456
395 5OJI NAP 42.3077
396 5OJI ISN 42.3077
397 3SJ7 NDP 42.4603
398 3NUG NAD 42.5101
399 3O03 NAP 42.5287
400 1ZEM NAD 42.5287
401 3AY6 NAI 42.5287
402 3AY6 BGC 42.5287
403 3ZV6 4HB 42.5287
404 3ZV6 NAD 42.5287
405 1JA9 NDP 42.7007
406 4NBU NAI 42.8
407 3JQA NAP 42.9119
408 5JDI NAP 42.9119
409 3BMO NAP 42.9119
410 3BMQ NAP 42.9119
411 4CM4 NAP 42.9119
412 4CM8 NAP 42.9119
413 3JQG NAP 42.9119
414 3JQ9 NAP 42.9119
415 3JQF NAP 42.9119
416 5JDC NAP 42.9119
417 2WD7 NAP 42.9119
418 5JCJ NAP 42.9119
419 3JQ8 NAP 42.9119
420 4CLO NAP 42.9119
421 4CMI NAP 42.9119
422 4CME NAP 42.9119
423 1G0N NDP 42.9119
424 1G0N PHH 42.9119
425 4CM9 NAP 42.9119
426 5K6A NAP 42.9119
427 3BMN NAP 42.9119
428 3H4V DVP 42.9119
429 3H4V NAP 42.9119
430 4CLR NAP 42.9119
431 2VZ0 NAP 42.9119
432 2VZ0 D64 42.9119
433 3JQB NAP 42.9119
434 3JQ7 NAP 42.9119
435 5K6A 6QT 42.9119
436 1HDC CBO 42.9134
437 1H5Q NAP 43.0189
438 5Z2L NDP 43.2653
439 1UZN NAP 43.3198
440 3QWI NAP 43.6782
441 5FEU NAP 43.6782
442 3QWI CUE 43.6782
443 1MXH DHF 43.6782
444 1MXH NAP 43.6782
445 1O5I NAD 43.7751
446 3AFN NAP 43.7985
447 3ICC NAP 43.9216
448 1XHL NDP 44.0613
449 2DTX BMA 44.0613
450 5OVK NDP 44.1406
451 5B4T NAD 44.2308
452 5B4T 3HR 44.2308
453 5FFF 5XC 44.358
454 5FFF NAP 44.358
455 1VL8 NAP 44.4444
456 1YXM ADE 44.4444
457 2AG5 NAD 45.122
458 1XKQ NDP 45.2107
459 1AE1 NAP 45.5939
460 5EPO NAP 46.3602
461 5EPO TUD 46.3602
462 4FN4 NAD 46.4567
463 1Q7B NAP 46.7213
464 2EWM NAD 47.3896
465 5T2U NAP 49.1936
466 3D3W NAP 49.5902
467 1PR9 NAP 49.5902
Pocket No.: 2; Query (leader) PDB : 1QG6; Ligand: NAD; Similar sites found with APoc: 25
This union binding pocket(no: 2) in the query (biounit: 1qg6.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 5VL2 9EG None
2 4G86 BNT 0.766284
3 5N2I NAP 2.15517
4 5OM2 DXT 2.29885
5 5JJU AMP 3.06513
6 4J25 OGA 3.49345
7 1MLD CIT 3.83142
8 3G2Y GF4 4.21456
9 1DIG NAP 4.21456
10 1JCM 137 4.2471
11 3AB4 THR 4.49438
12 2FJK 13P 4.5977
13 3LE7 ADE 4.98084
14 1XVB BHL BHL 5.29412
15 5U9J GER 5.32544
16 2PCU ASP 5.36398
17 4OKD GLC GLC GLC 5.36398
18 5JH2 A2P 5.74713
19 1RJW ETF 5.74713
20 3WMX THR 6.13027
21 3HQP OXL 6.13027
22 1GPM AMP 8.42912
23 2DT9 THR 17.9641
24 2A19 ANP 18.2857
25 2AZC 3TL 25.2525
Pocket No.: 3; Query (leader) PDB : 1QG6; Ligand: TCL; Similar sites found with APoc: 449
This union binding pocket(no: 3) in the query (biounit: 1qg6.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 5VL2 9EG None
2 4G86 BNT 0.766284
3 2UYQ SAM 1.14943
4 4PVD NDP 1.53257
5 4Y9D NAI 1.53257
6 1RJD SAM 1.53257
7 1KEW NAD 1.91571
8 1KEW TYD 1.91571
9 3O7W SAM 1.91571
10 3R4S SLB 1.91571
11 4XB2 NDP 1.91571
12 3H5N ATP 1.91571
13 2B4R AES 1.91571
14 5TC4 NAD 1.91571
15 2B4R NAD 1.91571
16 4KOA NDP 1.91571
17 5OOH NAP 1.94175
18 5OOH 9ZZ 1.94175
19 5N2I NAP 2.15517
20 3ABI NAD 2.29885
21 2C5A GDC 2.29885
22 2C5A NAD 2.29885
23 1BW9 NAD 2.29885
24 5H81 NAP 2.29885
25 1UDB NAD 2.29885
26 1UDB UFG 2.29885
27 3I7S PYR 2.29885
28 5OM2 DXT 2.29885
29 6GKV SAH 2.29885
30 6DNT NAD 2.68199
31 1BXK NAD 2.68199
32 4GLL NAD 2.68199
33 4E13 NAD 2.68199
34 1SB8 NAD 2.68199
35 1SB8 UD2 2.68199
36 4IX4 ADP 2.68199
37 3H9E NAD 2.68199
38 6CEP NAD 2.68199
39 6CMJ F6J 2.68199
40 2GZ3 NAP 2.68199
41 2Q46 NAP 2.7668
42 1Y1P NMN AMP PO4 2.92398
43 1Z6Z NAP 3.06513
44 4J7U NAP 3.06513
45 4HXY NDP 3.06513
46 4J7U YTZ 3.06513
47 5MSO NAP 3.06513
48 5GT9 NAP 3.06513
49 1RKX NAD 3.06513
50 2GN4 UD1 3.06513
51 2GN4 NDP 3.06513
52 1V6A TRE 3.06513
53 1WVG APR 3.06513
54 1E5Q NDP 3.06513
55 3B1F NAD 3.06513
56 4D3F NAP 3.06513
57 3FSY SCA 3.06513
58 2F5X ASP 3.06513
59 4OM8 NAD 3.06513
60 4RP9 ASC 3.06513
61 4B4U NAP 3.06513
62 4N49 SAM 3.06513
63 4O08 PO6 3.06513
64 1O6Z NAD 3.06513
65 4Z0H NAD 3.06513
66 3LKZ SFG 3.06513
67 5UR0 NAD 3.06513
68 5LD5 NAD 3.06513
69 5JJU AMP 3.06513
70 1KYZ SAH 3.06513
71 5ZZ6 ADP 3.36538
72 5ZZ6 NAD 3.36538
73 5O98 NAP 3.44828
74 1U7T NAD 3.44828
75 1U7T TDT 3.44828
76 1E7S NAP 3.44828
77 2FR1 NDP 3.44828
78 1A27 NAP 3.44828
79 3HB5 NAP 3.44828
80 3LU1 NAD 3.44828
81 2HK9 ATR 3.44828
82 3L9W AMP 3.44828
83 4U7W NDP 3.44828
84 1GV0 NAD 3.44828
85 1HYE NAP 3.44828
86 3V1Y NAD 3.44828
87 1GUZ NAD 3.44828
88 1OMO NAD 3.44828
89 4IVN BMX 3.44828
90 5OCM NAP 3.44828
91 4J25 OGA 3.49345
92 3RJ5 NAD 3.54331
93 5ZEC NAP 3.83142
94 5IN4 6CK 3.83142
95 5IN4 GDP 3.83142
96 5IN4 NAP 3.83142
97 1MLD CIT 3.83142
98 2G2Y MLI 3.83142
99 1A99 PUT 3.83142
100 2ZWA SAH 3.83142
101 5OJL TXP 3.83142
102 2HIM ASN 3.83142
103 3B20 NAD 3.83142
104 1SC6 NAD 3.83142
105 1PL6 NAD 3.83142
106 1PL6 572 3.83142
107 2D2I NAP 3.83142
108 3L4S NAD 3.83142
109 1M2W NAD 3.83142
110 5JJR SAH 3.83142
111 1YS4 NAP 3.83142
112 3ORF NAD 3.98406
113 2WA2 SAM 3.98551
114 2VT3 ATP 4.18605
115 1T0I FMN 4.18848
116 4R1S NAP 4.21456
117 6EL3 NAP 4.21456
118 5DF1 NAP 4.21456
119 5DF1 58X 4.21456
120 1DNP MHF 4.21456
121 5MPT SAH 4.21456
122 2PZM NAD 4.21456
123 2PZM UDP 4.21456
124 3G2Y GF4 4.21456
125 1ZQ9 SAM 4.21456
126 3I6I NDP 4.21456
127 1DIG NAP 4.21456
128 1DSS NAD 4.21456
129 6C4M NAP 4.21456
130 2WVZ KIF 4.21456
131 1F8G NAD 4.21456
132 4ZFL 4NK 4.21456
133 1JCM 137 4.2471
134 4URS C2E 4.25532
135 3AB4 THR 4.49438
136 1UAY ADN 4.54545
137 5E8J SAH 4.54545
138 1GZ6 NAI 4.5977
139 5K4W NAI 4.5977
140 6BWL NAD 4.5977
141 5K4W THR 4.5977
142 1ORR NAD 4.5977
143 6C4T NA7 4.5977
144 2FJK 13P 4.5977
145 1WDK NAD 4.5977
146 1NVT NAP 4.5977
147 1RM4 NDP 4.5977
148 1KYQ NAD 4.5977
149 1J0X NAD 4.5977
150 2Q1S NAI 4.5977
151 1ZBQ NAD 4.98084
152 1WMA NDP 4.98084
153 1WMA AB3 4.98084
154 1Z45 NAD 4.98084
155 1RPN NDP 4.98084
156 4GK9 MAN BMA MAN MAN MAN 4.98084
157 1I36 NAP 4.98084
158 3LE7 ADE 4.98084
159 5KVS NAP 4.98084
160 3A06 NDP 4.98084
161 1XVB BHL BHL 5.29412
162 5U9J GER 5.32544
163 1HDR NAD 5.32787
164 4YAC NAI 5.36398
165 5MLR NAP 5.36398
166 5MLR GRQ 5.36398
167 2PCU ASP 5.36398
168 1LTH NAD 5.36398
169 3TDC 0EU 5.36398
170 2C29 NAP 5.36398
171 2C29 DQH 5.36398
172 3EVG SAH 5.36398
173 6D6Y SAH 5.36398
174 4OKD GLC GLC GLC 5.36398
175 1YJQ NAP 5.36398
176 2P41 SAH 5.36398
177 2V6G NAP 5.74713
178 6C4N NAP 5.74713
179 5JH2 A2P 5.74713
180 1VL0 NAI 5.74713
181 3H8V ATP 5.74713
182 5L95 AMP 5.74713
183 1RJW ETF 5.74713
184 1EBF NAD 5.74713
185 5OFW 9TW 5.8296
186 3WMX NAD 6.13027
187 4PIV NDP 6.13027
188 3WMX THR 6.13027
189 1ZGA SAH 6.13027
190 2I3G NAP 6.13027
191 2AG8 NAP 6.13027
192 3HQP OXL 6.13027
193 5BSH PRO 6.13027
194 3TN7 NJP 6.22568
195 1LSS NAD 6.42857
196 3A4V PYR 6.51341
197 3A4V NAD 6.51341
198 4ZRN NAD 6.51341
199 3TTM PUT 6.51341
200 2VUT NAD 6.51341
201 4ZRN UPG 6.51341
202 1TI7 NAP 6.51341
203 3CIF NAD 6.51341
204 3CIF G3H 6.51341
205 4DPL NAP 6.51341
206 2XVM SAH 6.53266
207 5N53 8NB 6.66667
208 1N7G NDP 6.89655
209 1N7G GDR 6.89655
210 4ZGS NAD 6.89655
211 3KO8 NAD 7.27969
212 5Y1G NAD 7.27969
213 5Y1G AKB 7.27969
214 1R6D DAU 7.27969
215 5CX6 CDP 7.27969
216 1V8B ADN 7.27969
217 3R75 PYR 7.27969
218 1R6D NAD 7.27969
219 5JE8 NAD 7.27969
220 2HMT