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Receptor
PDB id Resolution Class Description Source Keywords
4BKU 1.84 Å EC: 1.3.1.9 ENOYL-ACP REDUCTASE FABI FROM BURKHOLDERIA PSEUDOMALLEI WITH NADH AND INHIBITOR PT155 BURKHOLDERIA PSEUDOMALLEI OXIDOREDUCTASE FATTY ACID BIOSYNTHESIS ENOYL- ACP REDUCTASPYRIDONE
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:1259;
Valid;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
1S5 A:1260;
Valid;
none;
submit data
314.422 C19 H26 N2 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5I7S 1.6 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF B. PSEUDOMALLEI FABI IN COMPLEX WITH NA BURKHOLDERIA PSEUDOMALLEI ENOYL-ACP REDUCTASE BURKHOLDERIA PSEUDOMALLEI DIPHENYL ETHSLOW-BINDING INHIBITORS OXIDOREDUCTASE
Ref.: RATIONALIZING THE BINDING KINETICS FOR THE INHIBITI BURKHOLDERIA PSEUDOMALLEI FABI1 ENOYL-ACP REDUCTASE BIOCHEMISTRY V. 56 1865 2017
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 4BKU - 1S5 C19 H26 N2 O2 CCCCCCC1=C....
2 5I8W Ki = 55 nM 69H C19 H23 F O2 CCCCCCc1cc....
3 5I9M Ki = 55 nM 69K C14 H14 F N O2 CCc1cc(c(c....
4 5I8Z Ki = 158 nM JA1 C18 H21 N O4 CCCCCCc1cc....
5 5I7S Ki = 32 nM E9P C14 H14 O2 CCc1ccc(c(....
6 5I9L Ki = 153 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
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: 1S5; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 1S5 1 1
2 VT4 0.676056 0.901961
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5I7S; Ligand: E9P; Similar sites found with APoc: 437
This union binding pocket(no: 1) in the query (biounit: 5i7s.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 2X2T GAL NGA None
2 5NLD LBT None
3 3BP1 GUN 1.08696
4 1LDM NAD 1.08696
5 1LTH NAD 1.44928
6 1ZQ9 SAM 1.44928
7 6EL3 NAP 1.81159
8 5IN4 6CK 1.81159
9 5IN4 GDP 1.81159
10 5IN4 NAP 1.81159
11 4ZRN NAD 1.81159
12 4ZRN UPG 1.81159
13 1KEW NAD 1.81159
14 1KEW TYD 1.81159
15 6HKE LMR 1.81159
16 5EPA AKG 1.81159
17 6HKE MLT 1.81159
18 6C4T NA7 1.81159
19 5Z75 NAD 2.17391
20 3A4V PYR 2.17391
21 3A4V NAD 2.17391
22 1EK6 NAI 2.17391
23 5F5N NAD 2.17391
24 1EK6 UPG 2.17391
25 3H8V ATP 2.17391
26 5JDA AMP 2.17391
27 5UR0 NAD 2.17391
28 3TDC 0EU 2.17391
29 3F81 STT 2.18579
30 5GT9 NAP 2.28137
31 1GEG NAD 2.34375
32 1HDR NAD 2.45902
33 4TQG NDP 2.53623
34 6DNT NAD 2.53623
35 5K4W NAI 2.53623
36 5K4W THR 2.53623
37 2FR1 NDP 2.53623
38 3TTM PUT 2.53623
39 2WA2 SAM 2.53623
40 5OJL TXP 2.53623
41 2GZ3 NAP 2.53623
42 3CIF NAD 2.53623
43 3G5S GSH 2.53623
44 5XLX SAH 2.53623
45 5NM7 GLY 2.63158
46 1RL4 BL5 2.65957
47 5ZZ6 ADP 2.88462
48 5ZZ6 NAD 2.88462
49 2BKA NDP 2.89256
50 2V6G NAP 2.89855
51 1RKX NAD 2.89855
52 2HIM ASN 2.89855
53 2UYQ SAM 2.89855
54 1SB8 NAD 2.89855
55 1SB8 UD2 2.89855
56 5E8J SAH 2.89855
57 4XB2 NDP 2.89855
58 2F5X ASP 2.89855
59 1OMO NAD 2.89855
60 4AMV F6R 2.89855
61 1H82 FAD 2.89855
62 1H82 GZZ 2.89855
63 5E9W SAH 2.89855
64 1WVG APR 2.89855
65 3O03 NAP 3.26087
66 1ORR NAD 3.26087
67 1E5Q NDP 3.26087
68 2VUT NAD 3.26087
69 1TI7 NAP 3.26087
70 1BW9 NAD 3.26087
71 2ZWA SAH 3.26087
72 5H81 NAP 3.26087
73 5MPT SAH 3.26087
74 2Q1S NAI 3.26087
75 4RDH AMP 3.26087
76 1CER NAD 3.26087
77 1WDK NAD 3.26087
78 6C4N NAP 3.26087
79 5W7R SAH 3.26087
80 4IVN BMX 3.26087
81 3GC8 B45 3.26087
82 5BSH PRO 3.26087
83 4D79 ATP 3.26087
84 1BO4 COA 3.57143
85 6DF7 G9V 3.59281
86 1E7S NAP 3.62319
87 3L9W AMP 3.62319
88 1W3T 3GR 3.62319
89 4GK9 MAN BMA MAN MAN MAN 3.62319
90 1JG9 GLC 3.62319
91 5CX6 CDP 3.62319
92 4N49 SAM 3.62319
93 1M2W NAD 3.62319
94 1LJ8 NAD 3.62319
95 1GUZ NAD 3.62319
96 5L95 AMP 3.75
97 5VRH OLC 3.83142
98 2Q46 NAP 3.95257
99 4E13 NAD 3.98551
100 5THY SAH 3.98551
101 1RJD SAM 3.98551
102 5B0I BOG 3.98551
103 1PJS NAD 3.98551
104 1UAY ADN 4.13223
105 3FSY SCA 4.21687
106 4URS C2E 4.25532
107 2AGC DAO 4.32099
108 3RJ5 NAD 4.33071
109 5MSO NAP 4.34783
110 4OEV OXL 4.34783
111 2C29 NAP 4.34783
112 2C29 DQH 4.34783
113 3EXH TPP 4.34783
114 4POS NAG SIA GAL 4.34783
115 2YMZ LAT 4.61538
116 3KO8 NAD 4.71014
117 2Q1W NAD 4.71014
118 4BCQ TJF 4.71014
119 1OC2 TDX 4.71014
120 1OC2 NAD 4.71014
121 1HYH NAD 4.71014
122 1DNP MHF 4.71014
123 4LAM 5CU 4.71014
124 1DSS NAD 4.71014
125 1RM4 NDP 4.71014
126 1RPN NDP 4.77612
127 1V6A TRE 4.81928
128 3WMX NAD 5.02793
129 1Y1P NMN AMP PO4 5.07246
130 4PVD NDP 5.07246
131 3R75 PYR 5.07246
132 2IZ1 ATR 5.07246
133 3H5N ATP 5.07246
134 1HYE NAP 5.07246
135 3O7W SAM 5.07246
136 2F1K NAP 5.07246
137 1LDN NAD 5.07246
138 3X01 AMP 5.08906
139 4O0L NDP 5.09091
140 5OOH NAP 5.33981
141 5OOH 9ZZ 5.33981
142 3LU1 NAD 5.43478
143 4O08 PO6 5.43478
144 3I7S PYR 5.43478
145 4EKV BTN 5.66038
146 4HXY NDP 5.7971
147 5L4L NAP 5.7971
148 4U7W NDP 5.7971
149 4LHD GLY 5.7971
150 2PCU ASP 5.7971
151 5BJX NAD 5.7971
152 5BJX UDP 5.7971
153 5L4L 7OX 5.7971
154 1KYZ SAH 5.7971
155 1YJQ NAP 5.7971
156 4IDT T28 5.7971
157 3EVG SAH 5.81818
158 1MRH FMC 6.08365
159 2HJR APR 6.09756
160 1VL0 NAI 6.15942
161 6CEP NAD 6.15942
162 2P9H IPT 6.3197
163 3RFV NAI 6.36704
164 3RFV 15L 6.36704
165 1TKU 5RP 6.37255
166 2VDV SAM 6.50407
167 5MLR NAP 6.52174
168 5MLR GRQ 6.52174
169 2JL1 NAP 6.52174
170 4XZ3 COA 6.52174
171 1PL6 NAD 6.52174
172 5THZ SAH 6.52174
173 3GD8 GOL 6.72646
174 6F8A HIS 6.88406
175 3VPB GLU 6.88406
176 5BWD FUM 6.88406
177 9LDT NAD 6.88406
178 9LDB NAD 6.88406
179 1O6Z NAD 6.88406
180 3GGO NAI 6.88406
181 2G5C NAD 6.88406
182 4QM9 CYS 6.93642
183 5Y1G NAD 7.24638
184 5Y1G AKB 7.24638
185 1GZ6 NAI 7.24638
186 1GY8 NAD 7.24638
187 5DF1 58X 7.24638
188 5DF1 NAP 7.24638
189 2PZM NAD 7.24638
190 2PZM UDP 7.24638
191 1N7G NDP 7.24638
192 2VYN NAD 7.24638
193 1GAD NAD 7.24638
194 1N7G GDR 7.24638
195 5U6V 7WY 7.27273
196 5N2I NAP 7.32759
197 1SU2 ATP 7.54717
198 5FI3 NAP 7.56302
199 3O26 NDP 7.6087
200 5L4S 6KX 7.6087
201 5L4S NAP 7.6087
202 6FDF SAH 7.6087
203 1U7T TDT 7.66284
204 1U7T NAD 7.66284
205 2VT3 ATP 7.90698
206 3ABI NAD 7.94521
207 3B20 NAD 7.9646
208 5WHT SIA GAL GLC 7.97101
209 4TO8 FLC 7.97101
210 3V1Y NAD 7.97101
211 3AB4 THR 7.97101
212 2JBH 5GP 8
213 1XVB BHL 8.23529
214 4EUE NAI 8.33333
215 1Z45 NAD 8.33333
216 4PIV NDP 8.33333
217 5XWV 8H6 8.33333
218 2YY7 NAD 8.33333
219 5XWV NDP 8.33333
220 2X6T NAP 8.33333
221 6BWL NAD 8.33333
222 1EQ2 NAP 8.33333
223 4GLL NAD 8.33333
224 2PK3 A2R 8.33333
225 4ZU3 4SD 8.37004
226 1E3W NAD 8.42912
227 1E6W NAD 8.46154
228 1I2B NAD 8.69565
229 1I2B UPG 8.69565
230 1I2B USQ 8.69565
231 1R6D NAD 8.69565
232 1R6D DAU 8.69565
233 2C5A GDC 8.69565
234 2C5A NAD 8.69565
235 5UAV TFB 8.69565
236 5WQP NAP 8.97436
237 5WQP NCA 8.97436
238 4Y9D NAI 9.05797
239 1LSS NAD 9.28571
240 1Z6Z NAP 9.42029
241 4J7U NAP 9.42029
242 4J7U YTZ 9.42029
243 2EXX NAP 9.42029
244 4G5H NAP 9.78261
245 4G5H UD7 9.78261
246 2D2I NAP 9.78261
247 3LCC SAH 9.78723
248 1I36 NAP 9.84848
249 1JCM 137 10.0386
250 4J1Q NDP 10.1449
251 1BXK NAD 10.1449
252 5JAQ NAI 10.5072
253 6AA8 NAD 10.5072
254 5ZEC NAP 10.8696
255 3B1F NAD 10.8696
256 3I6I NDP 10.8696
257 1OFZ FUL 11.2319
258 4OM8 NAD 11.2319
259 2O2C G6Q 11.2319
260 5Z3I ADE 11.3208
261 1ZBQ NAD 11.5942
262 1UDB UFG 11.5942
263 1UDB NAD 11.5942
264 5YEC ATP 11.7647
265 2I3G NAP 11.9565
266 5LD5 NAD 12.3188
267 1A27 NAP 12.6812
268 3HB5 NAP 12.6812
269 2GN4 NDP 12.6812
270 2GN4 UD1 12.6812
271 1KYQ NAD 12.7737
272 3L4S NAD 13.0435
273 1OAA OAA 13.5135
274 2HMT NAI 13.8889
275 4JNJ BTN 13.913
276 1SC6 NAD 14.1304
277 1GV0 NAD 14.4928
278 4YAC NAI 15.1515
279 3SJU NDP 15.2174
280 3TN7 NJP 15.2174
281 5OFW 9TW 15.2466
282 3ORF NAD 15.5378
283 3TKY SAH 15.5797
284 1WMA NDP 15.942
285 1WMA AB3 15.942
286 4D3F NAP 15.942
287 3H4V DVP 16.3043
288 3H4V NAP 16.3043
289 4WGF HX2 16.5854
290 4R1S NAP 16.6667
291 1W8D NAP 16.6667
292 1W73 NAP 16.6667
293 1W6U NAP 17.3913
294 5N53 8NB 17.4359
295 4NBW NAD 17.5097
296 2DT9 THR 17.9641
297 1PZM 5GP 18.0095
298 2HK9 ATR 18.5455
299 4FC7 COA 18.8406
300 4FC7 NAP 18.8406
301 2OOR NAD 18.9655
302 5L53 NAP 19.2029
303 1MXH DHF 19.2029
304 1MXH NAP 19.2029
305 5EJ2 NAD 19.4805
306 4DPL NAP 19.5652
307 2BD0 NAP 20.2899
308 5JDI NAP 21.3768
309 3BMO NAP 21.3768
310 4CM8 NAP 21.3768
311 3BMQ NAP 21.3768
312 5JDC NAP 21.3768
313 5JCJ NAP 21.3768
314 4CMI NAP 21.3768
315 5K6A NAP 21.3768
316 4CM9 NAP 21.3768
317 4CLR NAP 21.3768
318 3JQA NAP 21.3768
319 3BMN NAP 21.3768
320 3JQG NAP 21.3768
321 3JQF NAP 21.3768
322 3JQ9 NAP 21.3768
323 4CM4 NAP 21.3768
324 4CME NAP 21.3768
325 3JQB NAP 21.3768
326 3JQ7 NAP 21.3768
327 4CLO NAP 21.3768
328 3JQ8 NAP 21.3768
329 2WD7 NAP 22.0149
330 2VZ0 NAP 22.0149
331 2VZ0 D64 22.0149
332 1XSE NDP 22.1014
333 1N5D NDP 22.4638
334 3KP6 SAL 22.5166
335 3ZV6 4HB 23.5507
336 3ZV6 NAD 23.5507
337 4JP3 CIT 24.2678
338 5OJI NAP 24.6154
339 5OJI ISN 24.6154
340 5O98 NAP 24.6377
341 1G0N NDP 24.6377
342 1G0N PHH 24.6377
343 3CH6 NAP 25.7246
344 3CH6 311 25.7246
345 4K26 SFF 26.087
346 4K26 NDP 26.087
347 4YAG NAI 26.8116
348 3KO0 TFP 28.7129
349 3VZS NAP 29.572
350 3VZS CAA 29.572
351 5G4L NDP 30.0725
352 2JAH NDP 30.3644
353 1XG5 NAP 30.4348
354 6F9Q NAD 30.5147
355 2DKN NAI 30.5882
356 3A28 NAD 30.6202
357 2RH4 EMO 31.1594
358 3WXB NDP 31.5217
359 2JAP NDP 31.5789
360 2GDZ NAD 32.5843
361 5FEU NAP 32.6087
362 4KWI 1TJ 32.6996
363 4KWI NAP 32.6996
364 3RKR NAP 32.8244
365 1SNY NAP 32.9588
366 1XKQ NDP 32.971
367 2CFC NAD 33.2
368 1ZK4 NAP 33.4661
369 1ZK4 AC0 33.4661
370 4QED NAP 33.4677
371 1FK8 NAD 33.8521
372 3GEG NAD 34.0081
373 1IY8 NAD 34.4569
374 5GWT SIN 34.7826
375 5GWT NAD 34.7826
376 2DTX BMA 34.8485
377 5FFF NAP 35.0195
378 5FFF 5XC 35.0195
379 2EWM NAD 35.3414
380 4FN4 NAD 35.4331
381 3U4C NDP 35.9431
382 5O42 BGC 36.1314
383 5O42 NAD 36.1314
384 5O42 9JW 36.1314
385 4RF2 NAP 36.7647
386 1NFQ NAI 36.9231
387 3AY6 BGC 37.9182
388 3AY6 NAI 37.9182
389 2B4Q NAP 38.0435
390 4OSP NAP 38.0435
391 2BGM NAJ 38.0435
392 4ITU NAI 38.6617
393 4ITU 1HS 38.6617
394 1GEE NAD 38.6973
395 5WUW NAP 39.4928
396 2Q2V NAD 39.6078
397 1ZEM NAD 39.6947
398 4CQM NAP 40.1639
399 3V1U NAD 40.2174
400 4URF NAD 40.3226
401 5YSS NAD 40.625
402 3AFN NAP 40.6977
403 1H5Q NAP 40.7547
404 6CI9 NAP 40.9266
405 1YXM ADE 40.942
406 3QWI NAP 41.1111
407 3QWI CUE 41.1111
408 1BDB NAD 41.5162
409 5B4T 3HR 41.5385
410 5B4T NAD 41.5385
411 1X1T NAD 41.5385
412 5THQ NDP 41.5441
413 1UZN NAP 41.7004
414 1AE1 NAP 41.7582
415 1JA9 NDP 41.9708
416 1XHL NDP 42.029
417 3SJ7 NDP 42.0635
418 3D3W NAP 42.2131
419 1PR9 NAP 42.2131
420 4ZA2 NAD 42.6877
421 2ZAT NAP 42.6923
422 3NUG NAD 43.3198
423 5OVK NDP 43.3594
424 1O5I NAD 43.3735
425 5Z2L NDP 44.0816
426 1HDC CBO 44.0945
427 4NBT NAD 44.5833
428 5EPO NAP 44.6565
429 5EPO TUD 44.6565
430 4NBU NAI 44.8
431 1VL8 NAP 44.9438
432 2AE2 NAP 45.3846
433 2AE2 PTO 45.3846
434 1Q7B NAP 46.3115
435 3ICC NAP 46.6667
436 2AG5 NAD 47.9675
437 5T2U NAP 48.3871
Pocket No.: 2; Query (leader) PDB : 5I7S; Ligand: E9P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5i7s.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5I7S; Ligand: E9P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5i7s.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5I7S; Ligand: E9P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5i7s.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5I7S; Ligand: NAD; Similar sites found with APoc: 437
This union binding pocket(no: 5) in the query (biounit: 5i7s.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 2X2T GAL NGA None
2 5NLD LBT None
3 3BP1 GUN 1.08696
4 1LDM NAD 1.08696
5 1LTH NAD 1.44928
6 1ZQ9 SAM 1.44928
7 6EL3 NAP 1.81159
8 5IN4 6CK 1.81159
9 5IN4 GDP 1.81159
10 5IN4 NAP 1.81159
11 4ZRN NAD 1.81159
12 4ZRN UPG 1.81159
13 1KEW NAD 1.81159
14 1KEW TYD 1.81159
15 6HKE LMR 1.81159
16 5EPA AKG 1.81159
17 6HKE MLT 1.81159
18 6C4T NA7 1.81159
19 5Z75 NAD 2.17391
20 3A4V PYR 2.17391
21 3A4V NAD 2.17391
22 1EK6 NAI 2.17391
23 5F5N NAD 2.17391
24 1EK6 UPG 2.17391
25 3H8V ATP 2.17391
26 5JDA AMP 2.17391
27 5UR0 NAD 2.17391
28 3TDC 0EU 2.17391
29 3F81 STT 2.18579
30 5GT9 NAP 2.28137
31 1GEG NAD 2.34375
32 1HDR NAD 2.45902
33 4TQG NDP 2.53623
34 6DNT NAD 2.53623
35 5K4W NAI 2.53623
36 5K4W THR 2.53623
37 2FR1 NDP 2.53623
38 3TTM PUT 2.53623
39 2WA2 SAM 2.53623
40 5OJL TXP 2.53623
41 2GZ3 NAP 2.53623
42 3CIF NAD 2.53623
43 3G5S GSH 2.53623
44 5XLX SAH 2.53623
45 5NM7 GLY 2.63158
46 1RL4 BL5 2.65957
47 5ZZ6 ADP 2.88462
48 5ZZ6 NAD 2.88462
49 2BKA NDP 2.89256
50 2V6G NAP 2.89855
51 1RKX NAD 2.89855
52 2HIM ASN 2.89855
53 2UYQ SAM 2.89855
54 1SB8 NAD 2.89855
55 1SB8 UD2 2.89855
56 5E8J SAH 2.89855
57 4XB2 NDP 2.89855
58 2F5X ASP 2.89855
59 1OMO NAD 2.89855
60 4AMV F6R 2.89855
61 1H82 FAD 2.89855
62 1H82 GZZ 2.89855
63 5E9W SAH 2.89855
64 1WVG APR 2.89855
65 3O03 NAP 3.26087
66 1ORR NAD 3.26087
67 1E5Q NDP 3.26087
68 2VUT NAD 3.26087
69 1TI7 NAP 3.26087
70 1BW9 NAD 3.26087
71 2ZWA SAH 3.26087
72 5H81 NAP 3.26087
73 5MPT SAH 3.26087
74 2Q1S NAI 3.26087
75 4RDH AMP 3.26087
76 1CER NAD 3.26087
77 1WDK NAD 3.26087
78 6C4N NAP 3.26087
79 5W7R SAH 3.26087
80 4IVN BMX 3.26087
81 3GC8 B45 3.26087
82 5BSH PRO 3.26087
83 4D79 ATP 3.26087
84 1BO4 COA 3.57143
85 6DF7 G9V 3.59281
86 1E7S NAP 3.62319
87 3L9W AMP 3.62319
88 1W3T 3GR 3.62319
89 4GK9 MAN BMA MAN MAN MAN 3.62319
90 1JG9 GLC 3.62319
91 5CX6 CDP 3.62319
92 4N49 SAM 3.62319
93 1M2W NAD 3.62319
94 1LJ8 NAD 3.62319
95 1GUZ NAD 3.62319
96 5L95 AMP 3.75
97 5VRH OLC 3.83142
98 2Q46 NAP 3.95257
99 4E13 NAD 3.98551
100 5THY SAH 3.98551
101 1RJD SAM 3.98551
102 5B0I BOG 3.98551
103 1PJS NAD 3.98551
104 1UAY ADN 4.13223
105 3FSY SCA 4.21687
106 4URS C2E 4.25532
107 2AGC DAO 4.32099
108 3RJ5 NAD 4.33071
109 5MSO NAP 4.34783
110 4OEV OXL 4.34783
111 2C29 NAP 4.34783
112 2C29 DQH 4.34783
113 3EXH TPP 4.34783
114 4POS NAG SIA GAL 4.34783
115 2YMZ LAT 4.61538
116 3KO8 NAD 4.71014
117 2Q1W NAD 4.71014
118 4BCQ TJF 4.71014
119 1OC2 TDX 4.71014
120 1OC2 NAD 4.71014
121 1HYH NAD 4.71014
122 1DNP MHF 4.71014
123 4LAM 5CU 4.71014
124 1DSS NAD 4.71014
125 1RM4 NDP 4.71014
126 1RPN NDP 4.77612
127 1V6A TRE 4.81928
128 3WMX NAD 5.02793
129 1Y1P NMN AMP PO4 5.07246
130 4PVD NDP 5.07246
131 3R75 PYR 5.07246
132 2IZ1 ATR 5.07246
133 3H5N ATP 5.07246
134 1HYE NAP 5.07246
135 3O7W SAM 5.07246
136 2F1K NAP 5.07246
137 1LDN NAD 5.07246
138 3X01 AMP 5.08906
139 4O0L NDP 5.09091
140 5OOH NAP 5.33981
141 5OOH 9ZZ 5.33981
142 3LU1 NAD 5.43478
143 4O08 PO6 5.43478
144 3I7S PYR 5.43478
145 4EKV BTN 5.66038
146 4HXY NDP 5.7971
147 5L4L NAP 5.7971
148 4U7W NDP 5.7971
149 4LHD GLY 5.7971
150 2PCU ASP 5.7971
151 5BJX NAD 5.7971
152 5BJX UDP 5.7971
153 5L4L 7OX 5.7971
154 1KYZ SAH 5.7971
155 1YJQ NAP 5.7971
156 4IDT T28 5.7971
157 3EVG SAH 5.81818
158 1MRH FMC 6.08365
159 2HJR APR 6.09756
160 1VL0 NAI 6.15942
161 6CEP NAD 6.15942
162 2P9H IPT 6.3197
163 3RFV NAI 6.36704
164 3RFV 15L 6.36704
165 1TKU 5RP 6.37255
166 2VDV SAM 6.50407
167 5MLR NAP 6.52174
168 5MLR GRQ 6.52174
169 2JL1 NAP 6.52174
170 4XZ3 COA 6.52174
171 1PL6 NAD 6.52174
172 5THZ SAH 6.52174
173 3GD8 GOL 6.72646
174 6F8A HIS 6.88406
175 3VPB GLU 6.88406
176 5BWD FUM 6.88406
177 9LDT NAD 6.88406
178 9LDB NAD 6.88406
179 1O6Z NAD 6.88406
180 3GGO NAI 6.88406
181 2G5C NAD 6.88406
182 4QM9 CYS 6.93642
183 5Y1G NAD 7.24638
184 5Y1G AKB 7.24638
185 1GZ6 NAI 7.24638
186 1GY8 NAD 7.24638
187 5DF1 58X 7.24638
188 5DF1 NAP 7.24638
189 2PZM NAD 7.24638
190 2PZM UDP 7.24638
191 1N7G NDP 7.24638
192 2VYN NAD 7.24638
193 1GAD NAD 7.24638
194 1N7G GDR 7.24638
195 5U6V 7WY 7.27273
196 5N2I NAP 7.32759
197 1SU2 ATP 7.54717
198 5FI3 NAP 7.56302
199 3O26 NDP 7.6087
200 5L4S 6KX 7.6087
201 5L4S NAP 7.6087
202 6FDF SAH 7.6087
203 1U7T TDT 7.66284
204 1U7T NAD 7.66284
205 2VT3 ATP 7.90698
206 3ABI NAD 7.94521
207 3B20 NAD 7.9646
208 5WHT SIA GAL GLC 7.97101
209 4TO8 FLC 7.97101
210 3V1Y NAD 7.97101
211 3AB4 THR 7.97101
212 2JBH 5GP 8
213 1XVB BHL 8.23529
214 4EUE NAI 8.33333
215 1Z45 NAD 8.33333
216 4PIV NDP 8.33333
217 5XWV 8H6 8.33333
218 2YY7 NAD 8.33333
219 5XWV NDP 8.33333
220 2X6T NAP 8.33333
221 6BWL NAD 8.33333
222 1EQ2 NAP 8.33333
223 4GLL NAD 8.33333
224 2PK3 A2R 8.33333
225 4ZU3 4SD 8.37004
226 1E3W NAD 8.42912
227 1E6W NAD 8.46154
228 1I2B NAD 8.69565
229 1I2B UPG 8.69565
230 1I2B USQ 8.69565
231 1R6D NAD 8.69565
232 1R6D DAU 8.69565
233 2C5A GDC 8.69565
234 2C5A NAD 8.69565
235 5UAV TFB 8.69565
236 5WQP NAP 8.97436
237 5WQP NCA 8.97436
238 4Y9D NAI 9.05797
239 1LSS NAD 9.28571
240 1Z6Z NAP 9.42029
241 4J7U NAP 9.42029
242 4J7U YTZ 9.42029
243 2EXX NAP 9.42029
244 4G5H NAP 9.78261
245 4G5H UD7 9.78261
246 2D2I NAP 9.78261
247 3LCC SAH 9.78723
248 1I36 NAP 9.84848
249 1JCM 137 10.0386
250 4J1Q NDP 10.1449
251 1BXK NAD 10.1449
252 5JAQ NAI 10.5072
253 6AA8 NAD 10.5072
254 5ZEC NAP 10.8696
255 3B1F NAD 10.8696
256 3I6I NDP 10.8696
257 1OFZ FUL 11.2319
258 4OM8 NAD 11.2319
259 2O2C G6Q 11.2319
260 5Z3I ADE 11.3208
261 1ZBQ NAD 11.5942
262 1UDB UFG 11.5942
263 1UDB NAD 11.5942
264 5YEC ATP 11.7647
265 2I3G NAP 11.9565
266 5LD5 NAD 12.3188
267 1A27 NAP 12.6812
268 3HB5 NAP 12.6812
269 2GN4 NDP 12.6812
270 2GN4 UD1 12.6812
271 1KYQ NAD 12.7737
272 3L4S NAD 13.0435
273 1OAA OAA 13.5135
274 2HMT NAI 13.8889
275 4JNJ BTN 13.913
276 1SC6 NAD 14.1304
277 1GV0 NAD 14.4928
278 4YAC NAI 15.1515
279 3SJU NDP 15.2174
280 3TN7 NJP 15.2174
281 5OFW 9TW 15.2466
282 3ORF NAD