Receptor
PDB id Resolution Class Description Source Keywords
1O5I 2.5 Å EC: 1.1.1.100 CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL CARRIER PROTEIN) REDUCT (TM1169) FROM THERMOTOGA MARITIMA AT 2.50 A RESOLUTION THERMOTOGA MARITIMA TM1169 3-OXOACYL-(ACYL CARRIER PROTEIN) REDUCTASE STRUCTURGENOMICS JCSG PSI PROTEIN STRUCTURE INITIATIVE JOINT CESTRUCTURAL GENOMICS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL CARRIER PROTEI REDUCTASE (TM1169) FROM THERMOTOGA MARITIMA AT 2.50 RESOLUTION TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD B:256;
 Valid;
 none;
 submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O5I 2.5 Å EC: 1.1.1.100 CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL CARRIER PROTEIN) REDUCT (TM1169) FROM THERMOTOGA MARITIMA AT 2.50 A RESOLUTION THERMOTOGA MARITIMA TM1169 3-OXOACYL-(ACYL CARRIER PROTEIN) REDUCTASE STRUCTURGENOMICS JCSG PSI PROTEIN STRUCTURE INITIATIVE JOINT CESTRUCTURAL GENOMICS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL CARRIER PROTEI REDUCTASE (TM1169) FROM THERMOTOGA MARITIMA AT 2.50 RESOLUTION TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1O5I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1O5I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (89)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 1E6W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1VL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 3A28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1X7G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 2RH4 Ki = 15 uM EMO C15 H10 O5 Cc1cc2c(c(....
6 2RHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RI3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
8 2RHC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
11 1GEG - GLC C6 H12 O6 C([C@@H]1[....
12 3VZS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 4N5N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 4QEC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
15 4QED - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 3AY6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3AUU - BGC C6 H12 O6 C([C@@H]1[....
18 3AUT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
19 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
20 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
21 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
22 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
23 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
24 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
25 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
26 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
27 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
28 4NBT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 1H5Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 1IPE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
31 1IPF - TNE C8 H13 N O CN1[C@H]2C....
32 1U7T Ki = 425 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 1NFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1XKQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
36 2ZAT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
37 1O5I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 2ZTL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 5EN4 Ki = 64 nM 5Q6 C18 H12 F N O4 c1cc(c(c(c....
42 5L7T Ki = 26 nM 6QJ C19 H14 F N O3 Cc1cc(ccc1....
43 5L7W Ki = 11 nM 6QU C18 H11 F2 N O4 c1cc(c(c(c....
44 5ICM - GLC C6 H12 O6 C([C@@H]1[....
45 5JS6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 5JSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1ZK4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
48 1ZK0 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
49 1ZJZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1ZJY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
51 3LQF - MRY C4 H10 O4 C([C@H]([C....
52 2WDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 4NBW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 1DOH Ki = 2.4 nM NID C9 H5 N O3 c1cc2c(c(c....
55 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1CYD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
57 1RWB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
61 4URE - 1PS C8 H11 N O3 S c1cc[n+](c....
62 4URF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 4KWI - 1TJ C19 H12 O5 Cc1cc2c(c(....
64 4FN4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 2CFC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 3ICC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
67 1UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
68 2B4Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
69 1IY8 Ki = 23.8 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70 4CR7 - MAN C6 H12 O6 C([C@@H]1[....
71 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
72 1AHI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
73 1FMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
74 5B4T - 3HR C4 H8 O3 C[C@H](CC(....
75 5FFF ic50 = 425 uM 5XC C8 H6 O3 c1cc2c(cc1....
76 3O03 - GCO C6 H12 O7 C([C@H]([C....
77 2DTX - BMA C6 H12 O6 C([C@@H]1[....
78 5FEU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
79 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
80 1JA9 Ki = 420 nM PYQ C11 H11 N O c1cc2c3c(c....
81 1AE1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
82 1PR9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
83 1WNT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
84 2BGM - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
85 2GDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
86 1UZN Kd = 11.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
87 1HDC Ki = 1 uM CBO C34 H50 O7 CC1([C@@H]....
88 3QWI ic50 = 2.8 uM CUE C15 H8 O5 c1cc2c(cc1....
89 1XHL - TNE C8 H13 N O CN1[C@H]2C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O5I; Ligand: NAD; Similar sites found: 438
This union binding pocket(no: 1) in the query (biounit: 1o5i.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PXX SAH 0.004569 0.40659 0.930233
2 2YY7 NAD 0.00002202 0.52502 1.20482
3 4ZCC NAI 0.02339 0.40758 1.20482
4 4ZCC FAD 0.02339 0.40758 1.20482
5 1RP0 AHZ 0.01028 0.40752 1.20482
6 1RL4 BRR 0.01322 0.4165 1.59574
7 5T9F TYR 0.001024 0.45862 1.60643
8 5T9F NAP 0.001045 0.45703 1.60643
9 3CGD NAD 0.008448 0.44333 1.60643
10 3CGD COA 0.008448 0.44333 1.60643
11 3CGD FAD 0.008448 0.44333 1.60643
12 1SQF SAM 0.002667 0.42015 1.60643
13 5M67 NAD 0.01665 0.41309 1.60643
14 5M67 ADE 0.01745 0.41213 1.60643
15 5M67 3D1 0.01954 0.4098 1.60643
16 5T9E NAP 0.006927 0.4086 1.60643
17 1TDF NAP 0.04024 0.40657 1.60643
18 2P41 SAH 0.006552 0.40326 1.60643
19 3KO8 NAD 0.00001386 0.44396 2.00803
20 2ZWA SAH 0.001404 0.41652 2.00803
21 3QVP FAD 0.01442 0.41192 2.00803
22 5KKA 6V0 0.0009987 0.45278 2.40964
23 3CMC NAD 0.004785 0.44957 2.40964
24 3LU1 NAD 0.00002704 0.43914 2.40964
25 5JY6 NAD 0.00568 0.43593 2.40964
26 1J0X NAD 0.005525 0.43129 2.40964
27 1PN0 FAD 0.008449 0.42617 2.40964
28 1PN0 IPH 0.008794 0.42617 2.40964
29 1P0F NAP 0.004592 0.42318 2.40964
30 4NEC SAH 0.004334 0.41851 2.40964
31 5ULP KB1 0.004534 0.41361 2.40964
32 4NTD FAD 0.01076 0.41314 2.40964
33 4ZRN NAD 0.00009173 0.40833 2.40964
34 1LTH NAD 0.001301 0.40698 2.40964
35 5TTJ FAD 0.01636 0.40576 2.40964
36 1PL6 NAD 0.004218 0.4028 2.40964
37 5LD5 NAD 0.007832 0.40175 2.40964
38 1RM4 NDP 0.01083 0.40146 2.40964
39 2VDV SAM 0.01194 0.40215 2.43902
40 1SB8 UD2 0.00006507 0.52926 2.81124
41 1SB8 NAD 0.00005306 0.52926 2.81124
42 2PK3 A2R 0.00002403 0.50299 2.81124
43 1UXG NAD 0.004123 0.43219 2.81124
44 4BV6 FAD 0.005465 0.42962 2.81124
45 1GR0 NAD 0.006985 0.41739 2.81124
46 4OKD GLC GLC GLC 0.01383 0.41532 2.81124
47 4FWE FAD 0.01451 0.4118 2.81124
48 4TM3 FAD 0.03138 0.41085 2.81124
49 1RYO OXL 0.01834 0.40855 2.81124
50 2PV7 NAD 0.0004821 0.4075 2.81124
51 1Q9I TEO 0.03873 0.40045 2.81124
52 1HYE NAP 0.008408 0.40042 2.81124
53 1LDN NAD 0.003842 0.42536 2.8481
54 3WV8 ATP 0.00188 0.42292 3.21101
55 4U7W NDP 0.00003154 0.51281 3.21285
56 2PZM NAD 0.0003642 0.48599 3.21285
57 2PZM UDP 0.0003642 0.48599 3.21285
58 5U5G NAP 0.000791 0.45296 3.21285
59 1PS9 FAD 0.00286 0.44258 3.21285
60 1MV8 NAD 0.001687 0.43544 3.21285
61 2GVC FAD 0.003131 0.43187 3.21285
62 2BRY FAD 0.00336 0.4305 3.21285
63 3UCL NAP 0.0162 0.42498 3.21285
64 3UCL CYH 0.0149 0.42498 3.21285
65 3UCL FAD 0.0149 0.42498 3.21285
66 3C1O NAP 0.002506 0.42476 3.21285
67 5AYV NAP 0.002545 0.4228 3.21285
68 4TXI FAD 0.004735 0.42259 3.21285
69 5BW4 SAM 0.00308 0.41751 3.21285
70 3L4S NAD 0.007082 0.41476 3.21285
71 3L4S 3PG 0.00753 0.41476 3.21285
72 2BH9 NAP 0.005579 0.41355 3.21285
73 4UP3 FAD 0.01504 0.40838 3.21285
74 5AYV KPL 0.01194 0.40796 3.21285
75 5G3U ITW 0.01894 0.40724 3.21285
76 1GPE FAD 0.02298 0.40412 3.21285
77 5G3U FDA 0.01789 0.403 3.21285
78 2BKA NDP 0.006238 0.41338 3.30579
79 2DC1 NAD 0.007716 0.40795 3.38983
80 3FRH SAH 0.00138 0.43425 3.61446
81 4EIP K2C 0.00575 0.43317 3.61446
82 4EIP FAD 0.00575 0.43317 3.61446
83 5JCM FAD 0.0148 0.4245 3.61446
84 5JCM NAD 0.01524 0.4245 3.61446
85 5JCM ISD 0.01524 0.4245 3.61446
86 5MZI FAD 0.01336 0.42409 3.61446
87 4ZGS NAD 0.003133 0.42057 3.61446
88 5MZI FYK 0.01675 0.42001 3.61446
89 1E1M FAD 0.01457 0.41883 3.61446
90 1RJD SAM 0.002972 0.41638 3.61446
91 2JJQ SAH 0.005992 0.41604 3.61446
92 4W6Z 8ID 0.008463 0.41583 3.61446
93 3IHG FAD 0.006304 0.4145 3.61446
94 2O4C NAD 0.006799 0.41432 3.61446
95 2DKH FAD 0.008247 0.41299 3.61446
96 1FL2 FAD 0.01184 0.41222 3.61446
97 2DKH 3HB 0.01231 0.41145 3.61446
98 5X20 NAD 0.008356 0.40359 3.61446
99 2HJR APR 0.002344 0.40271 3.61446
100 4JLS 3ZE 0.02728 0.40203 3.94737
101 4EUE NAI 0.00000231 0.57039 4.01606
102 5JAQ NAI 0.00005444 0.51921 4.01606
103 2JL1 NAP 0.0002288 0.46584 4.01606
104 1GET NAP 0.003028 0.46052 4.01606
105 1GET FAD 0.002847 0.46052 4.01606
106 1KYQ NAD 0.0007052 0.44951 4.01606
107 1SAY PYR 0.002205 0.43995 4.01606
108 3CTY FAD 0.004109 0.43819 4.01606
109 1MO9 KPC 0.0117 0.43737 4.01606
110 1MO9 FAD 0.01242 0.43556 4.01606
111 3GGO ENO 0.006175 0.42717 4.01606
112 3LCV SAM 0.002926 0.42019 4.01606
113 2E5V FAD 0.009997 0.41933 4.01606
114 3Q9T FAY 0.00877 0.41721 4.01606
115 4YRY FAD 0.01292 0.41326 4.01606
116 3H8V ATP 0.003873 0.41315 4.01606
117 4YRY NAD 0.01933 0.41297 4.01606
118 4NTC FAD 0.01562 0.40854 4.01606
119 1CF2 NAP 0.007053 0.40826 4.01606
120 2G5C NAD 0.0112 0.40081 4.01606
121 2XVM SAH 0.0005308 0.42323 4.0201
122 1N7G NDP 0.0003354 0.5077 4.41767
123 1N7G GDR 0.0006081 0.486 4.41767
124 5F5N NAD 0.0001461 0.48185 4.41767
125 1H9A NAP 0.0005842 0.4659 4.41767
126 1V59 FAD 0.001186 0.46424 4.41767
127 2WPF FAD 0.00445 0.46376 4.41767
128 2WPF WPF 0.007956 0.4524 4.41767
129 9LDT NAD 0.001506 0.44346 4.41767
130 5FTW SAH 0.0005861 0.43654 4.41767
131 3ICT FAD 0.004663 0.42868 4.41767
132 3ICR FAD 0.006034 0.42358 4.41767
133 1KOL NAD 0.005806 0.42326 4.41767
134 4UP4 NDG 0.01038 0.41382 4.41767
135 4UP4 NAG 0.01038 0.41382 4.41767
136 3ICS ADP 0.009054 0.41164 4.41767
137 4MIG G3F 0.0187 0.41071 4.41767
138 3M6W SAM 0.006496 0.41056 4.41767
139 4M73 SAH 0.01575 0.40354 4.41767
140 1DXY NAD 0.009043 0.40352 4.5045
141 1VBO MAN 0.02171 0.41214 4.69799
142 1I2B NAD 0.001936 0.46128 4.81928
143 1X87 NAD 0.0006843 0.44736 4.81928
144 4RSL FAD 0.001858 0.44571 4.81928
145 2UYQ SAM 0.004525 0.43707 4.81928
146 1I8T FAD 0.003969 0.434 4.81928
147 3L9W AMP 0.002582 0.43305 4.81928
148 2DBZ NAP 0.002297 0.43254 4.81928
149 1QO8 FAD 0.007425 0.42442 4.81928
150 4AT0 FAD 0.01127 0.42029 4.81928
151 1I2B UPG 0.04724 0.41941 4.81928
152 1I2B USQ 0.04724 0.41941 4.81928
153 5KMS NAD 0.01621 0.41939 4.81928
154 5KMS FAD 0.0076 0.41795 4.81928
155 1GY8 NAD 0.0001724 0.41093 4.81928
156 5JGL SAM 0.003023 0.40523 4.81928
157 4E13 NAD 0.001549 0.42842 4.947
158 3WLE NAD 0.004006 0.43058 4.98534
159 4REP FAD 0.01648 0.40561 5.05051
160 1ORR NAD 0.00005031 0.51225 5.22088
161 1FEC FAD 0.002608 0.44922 5.22088
162 4MP8 NAD 0.005643 0.42491 5.22088
163 1H82 FAD 0.01214 0.42404 5.22088
164 1H82 GZZ 0.01425 0.42404 5.22088
165 1GV0 NAD 0.00485 0.41956 5.22088
166 4XZ3 COA 0.007375 0.40288 5.22088
167 5JE8 NAD 0.001482 0.40154 5.22088
168 3HVJ 705 0.01723 0.40277 5.42986
169 1SOW NAD 0.009626 0.40879 5.4878
170 4HXY NDP 0.000003749 0.55919 5.62249
171 5MSO NAP 0.00009403 0.49021 5.62249
172 5THZ SAH 0.001592 0.43158 5.62249
173 5THY SAH 0.001386 0.43048 5.62249
174 2XVE FAD 0.01037 0.43007 5.62249
175 2XVF FAD 0.005317 0.42609 5.62249
176 2PWY SAH 0.003997 0.41435 5.62249
177 4D3F NAP 0.003907 0.41308 5.62249
178 3GXO SAH 0.007453 0.41165 5.62249
179 4XYM COA 0.01643 0.40752 5.62249
180 4YSX FAD 0.01746 0.40537 5.62249
181 1I7Q BEZ 0.02002 0.40297 5.62249
182 5J7X FAD 0.01861 0.40222 5.62249
183 2QRK AMP 0.01883 0.40198 5.62249
184 1KEW NAD 0.0001001 0.51945 5.81717
185 1KEW TYD 0.0001027 0.5179 5.81717
186 1EZ4 NAD 0.0007012 0.4521 6.0241
187 4RPL FAD 0.006494 0.44185 6.0241
188 4RPL 3UC 0.008924 0.43703 6.0241
189 3LAD FAD 0.004092 0.43639 6.0241
190 5FJN BE2 0.01286 0.41596 6.0241
191 5FJN FAD 0.0113 0.41596 6.0241
192 4PNE SAH 0.004004 0.41432 6.0241
193 3UOY NAP 0.02712 0.41342 6.0241
194 3UOY FAD 0.02712 0.41342 6.0241
195 5MBX FAD 0.023 0.41005 6.0241
196 5MBX SP5 0.023 0.41005 6.0241
197 2F5Z FAD 0.004645 0.43479 6.25
198 1E6E FAD 0.008012 0.41691 6.25
199 2GZ3 NAP 0.003541 0.44476 6.4257
200 1WDK NAD 0.001729 0.43003 6.4257
201 2V3A FAD 0.008719 0.41732 6.4257
202 3OND ADN 0.01751 0.41128 6.4257
203 1BC5 SAH 0.005226 0.40933 6.4257
204 4DMG SAM 0.01049 0.40861 6.4257
205 1V8B NAD 0.01348 0.40662 6.4257
206 3GDN FAD 0.02297 0.40163 6.4257
207 3GDN HBX 0.03117 0.40163 6.4257
208 1BXK NAD 0.00002156 0.5219 6.47887
209 1JNR FAD 0.02388 0.4194 6.66667
210 5EOW FAD 0.006733 0.41811 6.66667
211 2VHW NAI 0.003254 0.43467 6.82731
212 5J60 FAD 0.005821 0.42738 6.82731
213 4MO2 FDA 0.006169 0.42315 6.82731
214 5BUK FAD 0.01343 0.41423 6.82731
215 1T26 NAI 0.02131 0.40315 6.82731
216 3K56 IS3 0.01301 0.40042 6.82731
217 4QTU SAM 0.00627 0.40076 7.21154
218 4J36 1HR 0.00587 0.43007 7.22892
219 4J36 FAD 0.003553 0.42941 7.22892
220 1PJS NAD 0.002101 0.41245 7.22892
221 5I39 FAD 0.01144 0.41192 7.22892
222 4USQ FAD 0.01055 0.40931 7.22892
223 4CNK FAD 0.01362 0.40845 7.22892
224 2FN1 PYR 0.02406 0.40304 7.22892
225 2WA2 SAM 0.004075 0.40076 7.22892
226 1R37 NAD 0.006465 0.41891 7.4928
227 1E7S NAP 0.00007417 0.50317 7.63052
228 4PIV NDP 0.001924 0.43873 7.63052
229 5MPT SAH 0.0006846 0.4364 7.63052
230 3WQQ IB3 0.01016 0.41718 7.63052
231 1RPN NDP 0.0001486 0.41083 7.63052
232 4KP7 NAP 0.02725 0.4022 7.63052
233 3G2O SAM 0.006965 0.40211 8.02676
234 5GT9 NAP 0.00000001577 0.66479 8.03213
235 4TQG NDP 0.000004519 0.55181 8.03213
236 4PVD NDP 0.000199 0.47599 8.03213
237 1WVG APR 0.00004115 0.46229 8.03213
238 3WMX NAD 0.00003929 0.44994 8.03213
239 2QZZ EMF 0.001889 0.44766 8.03213
240 2QZZ NAP 0.001784 0.44766 8.03213
241 5JCA NDP 0.01325 0.42558 8.03213
242 5JCA FAD 0.0072 0.42503 8.03213
243 1RKX NAD 0.000115 0.42247 8.03213
244 3LXD FAD 0.008545 0.41455 8.03213
245 5UAO FAD 0.01152 0.41177 8.03213
246 4X7Y SAH 0.01611 0.40791 8.03213
247 4GLL NAD 0.0001244 0.49314 8.43373
248 3A4V NAD 0.000006205 0.43119 8.43373
249 3A4V PYR 0.000006205 0.43119 8.43373
250 1BXG NAD 0.003964 0.41921 8.43373
251 5XVK SAH 0.003197 0.41853 8.43373
252 2FZW NAD 0.01168 0.41619 8.43373
253 1E5Q NDP 0.000292 0.40859 8.43373
254 2Q1W NAD 0.0001607 0.40033 8.43373
255 1Y1P NMN AMP PO4 0.0007524 0.44558 8.83534
256 2Q46 NAP 0.00004332 0.44253 8.83534
257 1GAD NAD 0.002451 0.42834 8.83534
258 2DFV NAD 0.00313 0.42518 8.83534
259 2RAB NAD 0.002336 0.46468 9.23695
260 2RAB FAD 0.001105 0.46468 9.23695
261 4R1S NAP 0.00005529 0.44737 9.23695
262 1YY5 FAD 0.005171 0.43354 9.23695
263 1RSG FAD 0.005669 0.42984 9.23695
264 1GUZ NAD 0.003561 0.42413 9.23695
265 1DJN ADP 0.003016 0.41962 9.23695
266 3O7W SAM 0.000764 0.41887 9.23695
267 1REO FAD 0.009731 0.41613 9.23695
268 5CAE SIN 0.008359 0.41272 9.23695
269 5CAE COA 0.004958 0.41193 9.23695
270 1O94 ADP 0.001105 0.41083 9.23695
271 3RFV NAI 0.0007402 0.40763 9.23695
272 3RFV 15L 0.001156 0.40134 9.23695
273 1UWK NAD 0.0006723 0.47571 9.63855
274 1OAA OAA 0.0000001045 0.4484 9.63855
275 4L8V NAP 0.004567 0.42071 9.63855
276 2HK9 NAP 0.007308 0.40758 9.63855
277 3LST SAH 0.009233 0.40734 9.63855
278 5L95 AMP 0.005063 0.4047 9.67742
279 5IN4 6CK 0.001532 0.50633 10.0402
280 5IN4 NAP 0.001554 0.50633 10.0402
281 5IN4 GDP 0.001621 0.50438 10.0402
282 1VL0 NAI 0.0002601 0.46915 10.0402
283 2CDU FAD 0.002259 0.44186 10.0402
284 4X9M FAD 0.00629 0.42583 10.0402
285 5DP2 NAP 0.009264 0.40445 10.0402
286 3SQP FAD 0.008836 0.4667 10.4418
287 5DN9 NAD 0.005114 0.42231 10.4418
288 3ZNN FAD 0.02593 0.40889 10.4418
289 5HSA FAS 0.009446 0.41865 10.8434
290 5MW4 5JU 0.01473 0.40274 10.8434
291 3QOX SAH 0.008436 0.40036 10.8434
292 2GAG FOA 0.008948 0.42333 10.9524
293 2GAG FAD 0.009257 0.42264 10.9524
294 2GAG NAD 0.006789 0.42125 10.9524
295 2VVM FAD 0.005347 0.42908 11.245
296 1YS4 NAP 0.00244 0.42185 11.245
297 5TE1 7A2 0.01133 0.41535 11.245
298 1NVT NAP 0.009064 0.40056 11.4983
299 3T31 DCQ 0.02614 0.40872 12.0482
300 3T31 FAD 0.02452 0.40872 12.0482
301 1Z45 NAD 0.00005846 0.43143 12.4498
302 2NAD NAD 0.005994 0.42153 12.4498
303 2Q1S NAI 0.0007597 0.47121 12.8514
304 2AQJ TRP 0.02526 0.41009 12.8514
305 2AQJ FAD 0.02604 0.41009 12.8514
306 5UAV TFB 0.01107 0.41053 13.253
307 5UAV NDP 0.01107 0.41053 13.253
308 4XB2 HSE 0.007971 0.41246 13.4328
309 4XB2 NDP 0.004422 0.41246 13.4328
310 5CUQ NSC 0.007327 0.40137 13.6546
311 5JJR SAH 0.00779 0.4 13.6546
312 1EK6 NAI 0.0001765 0.50972 14.0562
313 1EK6 UPG 0.0002866 0.50154 14.0562
314 3NT6 FAD 0.002582 0.44147 14.0562
315 2YVF FAD 0.01921 0.41712 14.0562
316 2YVF NAD 0.0198 0.41712 14.0562
317 3NTD FAD 0.005503 0.42647 14.4578
318 1WMA AB3 0.00000003833 0.67006 14.8594
319 1WMA NDP 0.00000003833 0.67006 14.8594
320 2C29 NAP 0.00009451 0.43073 14.8594
321 3AD8 NAD 0.007524 0.41593 15.1515
322 5L4L NAP 0.00001247 0.52438 15.261
323 5L4L 7OX 0.0001167 0.50148 15.261
324 3S5W FAD 0.00605 0.41658 15.261
325 3ORF NAD 0.0006342 0.40424 15.261
326 3ABI NAD 0.00001041 0.44998 15.6627
327 3CIF NAD 0.00347 0.42463 15.6627
328 2V6G NAP 0.00007878 0.50042 16.0643
329 3EVG SAH 0.003335 0.41596 16.0643
330 4IDC 1XX 0.01234 0.4051 16.0643
331 4IDC NDP 0.01234 0.4051 16.0643
332 3O26 NDP 0.00000001144 0.66864 16.4659
333 1R6D NAD 0.0001315 0.51578 16.4659
334 1R6D DAU 0.0001374 0.51393 16.4659
335 3B1F NAD 0.001309 0.41701 16.8675
336 2DKN NAI 0.0000001963 0.51832 17.2691
337 5U8U FAD 0.007665 0.439 17.2691
338 3MB5 SAM 0.001898 0.40675 17.2691
339 4Q9N NAI 0.00005018 0.50912 18.4739
340 5L4S NAP 0.00000001541 0.67771 19.6787
341 5L4S 6KX 0.00000001541 0.67771 19.6787
342 4YAG NAI 0.000003175 0.57994 20.0803
343 5E8J SAH 0.01108 0.40365 20.4545
344 1N5D NDP 0.000000009269 0.54273 23.6948
345 3QV1 NAD 0.0017 0.4337 24.3902
346 3RJ5 NAD 0.0000005045 0.45586 25.3012
347 3H4V DVP 0.000006073 0.56694 26.506
348 3H4V NAP 0.00002582 0.53666 26.506
349 1A27 NAP 0.0000006272 0.59169 27.3092
350 3HB5 NAP 0.0000002368 0.42044 27.3092
351 3TN7 NJP 0.0000000003492 0.73832 32.9317
352 4O1M NAD 0.00006496 0.5025 32.9317
353 1SNY NAP 0.0000001897 0.60791 34.5382
354 5L53 NAP 0.00000005659 0.62015 35.3414
355 2BD0 NAP 0.00000000572 0.54036 35.3414
356 1E3W NAD 0.0000001524 0.50887 35.3414
357 3WXB NDP 0.000000006695 0.54593 35.743
358 4J7U YTZ 0.0000004046 0.62121 36.1446
359 4J7U NAP 0.0000004046 0.62121 36.1446
360 1GZ6 NAI 0.00002104 0.44103 36.5462
361 1Z6Z NAP 0.0000006466 0.5911 37.3494
362 4K26 NDP 0.00000002451 0.52909 37.3494
363 4K26 SFF 0.00000006148 0.4661 37.3494
364 1XSE NDP 0.000000007674 0.485 37.751
365 1ZBQ NAD 0.000002795 0.46195 38.9558
366 3CH6 NAP 0.00000003251 0.69532 39.759
367 3CH6 311 0.00000003251 0.69532 39.759
368 3OJF IMJ 0.00002399 0.53813 40.5622
369 3OJF NDP 0.00003109 0.52468 40.5622
370 2JAH NDP 0.000000003707 0.55334 40.8907
371 2Q2V NAD 0.00000002117 0.66346 40.9639
372 3OIG NAD 0.000008954 0.46944 40.9639
373 4O0L NDP 0.00000005967 0.51984 41.0909
374 2PD4 DCN 0.0001404 0.49515 41.3655
375 2PD4 NAD 0.0001695 0.49145 41.3655
376 2JAP NDP 0.000000003305 0.55501 42.5101
377 2WSB NAD 0.000000561 0.61163 42.9134
378 1W8D NAP 0.0000003784 0.53805 42.9719
379 1W73 NAP 0.0000003935 0.5373 42.9719
380 4D42 NAP 0.00004034 0.53699 42.9719
381 4D42 W0I 0.00004034 0.53699 42.9719
382 1MXH DHF 0.00001383 0.54501 43.3735
383 1MXH NAP 0.00003165 0.52862 43.3735
384 4ITU NAI 0.0000008423 0.47033 43.4944
385 4ITU 1HS 0.000001756 0.41947 43.4944
386 1QG6 TCL 0.00007002 0.51913 43.7751
387 1QG6 NAD 0.00007002 0.51913 43.7751
388 2WYV NAD 0.0006043 0.40351 43.7751
389 1NFQ NAI 0.00000004902 0.64504 44.1767
390 4FC7 NAP 0.000002242 0.58691 44.1767
391 4FC7 COA 0.000002242 0.58691 44.1767
392 5CG1 NAD BBN 0.0001954 0.51372 44.1767
393 3D3W NAP 0.0000001181 0.63002 44.6721
394 1W6U NAP 0.0000003492 0.59153 44.9799
395 1FK8 NAD 0.0000002939 0.53454 44.9799
396 4OSP NAP 0.00000005348 0.53388 44.9799
397 3ZV6 NAD 0.000000215 0.44387 44.9799
398 3ZV6 4HB 0.0000002323 0.43867 44.9799
399 3AFN NAP 0.00000001793 0.66668 45.3488
400 1ZEM NAD 0.000006987 0.53951 45.3815
401 1BDB NAD 0.0000001083 0.49313 45.3815
402 2VZ0 D64 0.00001429 0.57921 46.1847
403 2VZ0 NAP 0.00001429 0.57921 46.1847
404 2WD7 NAP 0.000005145 0.54933 46.1847
405 5T2U NAP 0.0000000006845 0.73021 46.5863
406 1G0N NDP 0.00000003759 0.66195 46.988
407 1G0N PHH 0.00000006206 0.65716 46.988
408 4CM9 NAP 0.0000009584 0.58354 47.3896
409 5K6A NAP 0.000001415 0.57605 47.3896
410 3GEG NAD 0.00000118 0.57542 47.3896
411 4CME NAP 0.000002112 0.56637 47.3896
412 3JQ9 NAP 0.000002535 0.56484 47.3896
413 4CLR NAP 0.000005881 0.54677 47.3896
414 5JDI NAP 0.000007296 0.54264 47.3896
415 5JDC NAP 0.000007334 0.54254 47.3896
416 4CLO NAP 0.000008913 0.53689 47.3896
417 3JQ8 NAP 0.000001625 0.47842 47.3896
418 3BMQ NAP 0.000001796 0.47832 47.3896
419 3JQF NAP 0.000001977 0.47725 47.3896
420 3BMN NAP 0.000002607 0.47314 47.3896
421 4CM8 NAP 0.000004725 0.47021 47.3896
422 4CMI NAP 0.000005609 0.46862 47.3896
423 3BMO NAP 0.000005405 0.46792 47.3896
424 4CM4 NAP 0.000005683 0.46709 47.3896
425 5JCJ NAP 0.000006572 0.46609 47.3896
426 3JQ7 NAP 0.00002645 0.45166 47.3896
427 3JQG NAP 0.00003951 0.44597 47.3896
428 3JQB NAP 0.00004286 0.44541 47.3896
429 3JQA NAP 0.00004955 0.44331 47.3896
430 1YXM ADE 0.000003519 0.608 48.1928
431 1XG5 NAP 0.000000004285 0.54993 48.1928
432 1X1T NAD 0.00000003178 0.51098 48.1928
433 4CQM NAP 0.0000003797 0.49968 48.3607
434 2AE2 PTO 0.000000003826 0.71099 48.5944
435 2AE2 NAP 0.000000003826 0.71099 48.5944
436 3NUG NAD 0.0000001401 0.62263 48.5944
437 4ZA2 NAD 0.000001025 0.5802 48.5944
438 3OID NDP 0.00000003229 0.65524 49.3976
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