Receptor
PDB id Resolution Class Description Source Keywords
2CFC 1.8 Å EC: 1.1.1.268 STRUCTURAL BASIS FOR STEREO SELECTIVITY IN THE (R)- AND (S)-HYDROXYPROPYLETHANE THIOSULFONATE DEHYDROGENASES XANTHOBACTER AUTOTROPHICUS NAD OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR STEREOSELECTIVITY IN THE (R)-AND (S)-HYDROXYPROPYLTHIOETHANESULFONATE DEHYDROGENASES. BIOCHEMISTRY V. 45 8831 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KPC A:1252;
B:1252;
C:1252;
D:1252;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
198.26 C5 H10 O4 S2 CC(=O...
NAD A:1251;
B:1251;
C:1251;
D:1251;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
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
2CFC 1.8 Å EC: 1.1.1.268 STRUCTURAL BASIS FOR STEREO SELECTIVITY IN THE (R)- AND (S)-HYDROXYPROPYLETHANE THIOSULFONATE DEHYDROGENASES XANTHOBACTER AUTOTROPHICUS NAD OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR STEREOSELECTIVITY IN THE (R)-AND (S)-HYDROXYPROPYLTHIOETHANESULFONATE DEHYDROGENASES. BIOCHEMISTRY V. 45 8831 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2CFC - 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 1 families.
1 2CFC - 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: KPC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 KPC 1 1
2 1HS 0.421053 0.902439
Ligand no: 2; 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 : 2CFC; Ligand: KPC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2cfc.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2CFC; Ligand: KPC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2cfc.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2CFC; Ligand: KPC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2cfc.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2CFC; Ligand: NAD; Similar sites found: 426
This union binding pocket(no: 4) in the query (biounit: 2cfc.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YY7 NAD 0.00000002099 0.60421 None
2 4XDY HIO 0.02447 0.4172 None
3 1G55 SAH 0.004598 0.41923 0.8
4 3A27 SAM 0.009111 0.40928 0.8
5 1U3U BNF 0.005657 0.40742 0.8
6 1V35 NAI 0.0000008033 0.56044 1.6
7 3GGO NAI 0.0007915 0.44067 1.6
8 3GGO ENO 0.0007915 0.44067 1.6
9 2CDU FAD 0.00157 0.4232 1.6
10 5FTW SAH 0.00493 0.41462 1.6
11 2G5C NAD 0.002295 0.40914 1.6
12 1WVG APR 0.0000001192 0.55284 2
13 2PZM UDP 0.000002707 0.54211 2
14 2PZM NAD 0.000002707 0.54211 2
15 5UAO FAD 0.004107 0.40896 2
16 2AQJ FAD 0.01453 0.40234 2
17 2AQJ TRP 0.01401 0.40234 2
18 3LU1 NAD 0.0000000007076 0.64492 2.4
19 3A4V NAD 0.000000003978 0.64302 2.4
20 1RKX NAD 0.000000005215 0.60447 2.4
21 3A4V PYR 0.000000003978 0.56951 2.4
22 2HJR APR 0.00001149 0.51803 2.4
23 1HDG NAD 0.0003709 0.44793 2.4
24 5MDH NAD 0.0002083 0.44319 2.4
25 4MDH NAD 0.0003504 0.44207 2.4
26 4NEC SAH 0.002655 0.44132 2.4
27 4YCA NDP 0.0008722 0.42982 2.4
28 3L4S NAD 0.0009327 0.42693 2.4
29 3L4S 3PG 0.00101 0.42693 2.4
30 2HYV UAP SGN IDS SGN IDS 0.01716 0.42451 2.4
31 4RDH AMP 0.00681 0.42209 2.4
32 3GFB NAD 0.001288 0.42017 2.4
33 4ZGS NAD 0.0004754 0.41818 2.4
34 3CGD NAD 0.0124 0.41467 2.4
35 3CGD COA 0.0124 0.41467 2.4
36 3CGD FAD 0.0124 0.41467 2.4
37 4DSG FAD 0.008379 0.4144 2.4
38 4DSG UDP 0.007865 0.41424 2.4
39 1X7D ORN 0.002867 0.41405 2.4
40 3CGB FAD 0.003063 0.41292 2.4
41 4J36 FAD 0.002753 0.41003 2.4
42 3TLJ SAH 0.005364 0.40993 2.4
43 4E13 NAD 0.000556 0.4099 2.4
44 1X7D NAD 0.002079 0.40936 2.4
45 4CJX NAP 0.003676 0.40795 2.4
46 4E5N NAD 0.003414 0.40386 2.4
47 4J36 1HR 0.007424 0.40358 2.4
48 4GGZ BTN 0.02116 0.40566 2.6087
49 1ORR NAD 0.000000005327 0.63167 2.8
50 1V6A TRE 0.0003912 0.51287 2.8
51 1GV0 NAD 0.00008534 0.46385 2.8
52 1LDM NAD 0.0001406 0.4487 2.8
53 2QRK AMP 0.001358 0.42801 2.8
54 5JE8 NAD 0.001321 0.4258 2.8
55 1XDS SAM 0.009011 0.42006 2.8
56 2A92 NAI 0.001739 0.41648 2.8
57 3H9E NAD 0.001103 0.41388 2.8
58 5LUB 3Y7 0.0243 0.41303 2.8
59 5JJR SAH 0.008514 0.41061 2.8
60 3BAZ NAP 0.003345 0.40959 2.8
61 5U5G NAP 0.002158 0.40875 2.8
62 3WGT FAD 0.008344 0.40498 2.8
63 3WGT QSC 0.009012 0.40442 2.8
64 5THY SAH 0.008957 0.40338 2.8
65 4R1S NAP 0.000000005015 0.61091 3.2
66 1R6D NAD 0.000000208 0.5993 3.2
67 1R6D DAU 0.0000005235 0.58151 3.2
68 1GUZ NAD 0.0001463 0.45326 3.2
69 1U1I NAD 0.000317 0.44785 3.2
70 4K28 NAD 0.001026 0.43019 3.2
71 1NYT NAP 0.001964 0.41888 3.2
72 1X87 NAD 0.0003695 0.4186 3.2
73 2VHW NAI 0.002157 0.41778 3.2
74 1D1T NAD 0.002138 0.41301 3.2
75 5E4R 40E 0.03028 0.41289 3.2
76 3B1F NAD 0.0005088 0.41249 3.2
77 1E5Q NDP 0.001739 0.41233 3.2
78 5JZJ AN2 0.01124 0.41184 3.2
79 2I3G NAP 0.001135 0.41053 3.2
80 1JNR FAD 0.0169 0.40724 3.2
81 3GXO SAH 0.01496 0.40598 3.2
82 4M73 SAH 0.004458 0.40538 3.2
83 4M73 M72 0.004928 0.40476 3.2
84 5FJN FAD 0.006829 0.40412 3.2
85 5FJN BE2 0.00796 0.40412 3.2
86 1PZG A3D 0.0004208 0.40334 3.2
87 1YQZ FAD 0.01507 0.40167 3.2
88 2Z3Y F2N 0.008467 0.40127 3.2
89 2VDV SAM 0.003263 0.44128 3.25203
90 5L4L NAP 0.0000002633 0.53757 3.28947
91 5L4L 7OX 0.000006314 0.51885 3.28947
92 5HWK BEZ 0.03651 0.40361 3.33333
93 1OC2 NAD 0.0000006112 0.5823 3.6
94 4GKV NAD 0.0001371 0.46204 3.6
95 1CER NAD 0.0001348 0.46178 3.6
96 4D79 ATP 0.00184 0.4406 3.6
97 1OC2 TDX 0.0000006112 0.42757 3.6
98 1VKO NAD 0.0005656 0.41717 3.6
99 3JV7 NAD 0.001015 0.41694 3.6
100 4XB2 HSE 0.002522 0.41023 3.6
101 4DPL NAP 0.001565 0.41005 3.6
102 4XB2 NDP 0.0008123 0.40803 3.6
103 4AP3 NAP 0.01138 0.40747 3.6
104 1WP4 NDP 0.001985 0.40705 3.6
105 4DMG SAM 0.02359 0.40332 3.6
106 2Y6Q FAD 0.004236 0.40152 3.6
107 2Y6Q I7T 0.01049 0.40008 3.6
108 3RGG AIR 0.02144 0.40909 3.77358
109 4GLL NAD 0.00000001734 0.60962 4
110 1N7G NDP 0.0000005873 0.59557 4
111 1N7G GDR 0.0000009994 0.57342 4
112 4PIV NDP 0.0000002332 0.56401 4
113 2Q1S NAI 0.000001134 0.55733 4
114 2X6T NAP 0.0000006092 0.54596 4
115 1EQ2 NAP 0.000001929 0.52681 4
116 1UWK URO 0.0002852 0.46279 4
117 1UWK NAD 0.0002852 0.46279 4
118 5KKA 6V0 0.00004716 0.45505 4
119 5LD5 NAD 0.0004223 0.45292 4
120 5JAQ NAI 0.00005991 0.42892 4
121 2JL1 NAP 0.0002027 0.42384 4
122 3NJ4 AFX 0.01947 0.41889 4
123 3NJ4 NAD 0.02006 0.41829 4
124 4W6Z 8ID 0.002195 0.41749 4
125 3WLE NAD 0.00297 0.41232 4
126 3G5S FAD 0.003762 0.4094 4
127 2PWY SAH 0.001148 0.40406 4
128 3L9W AMP 0.003798 0.40208 4
129 3G89 SAM 0.005188 0.4316 4.01606
130 1C3V NDP 0.002982 0.40612 4.08163
131 2EV9 NAP 0.00373 0.40366 4.18251
132 1MUU NAD 0.0004435 0.44481 4.4
133 1MV8 NAD 0.0003996 0.42944 4.4
134 2DFV NAD 0.0008701 0.42018 4.4
135 1GAD NAD 0.001062 0.41499 4.4
136 2FZW NAD 0.005216 0.40977 4.4
137 1B8U OAA 0.003673 0.40392 4.4
138 1RM4 NDP 0.002274 0.40226 4.4
139 2HK9 NAP 0.002299 0.40174 4.4
140 4FWE FAD 0.008962 0.40027 4.4
141 1NVM NAD 0.0009594 0.41349 4.48718
142 1E6E FAD 0.00356 0.40923 4.6875
143 1VL0 NAI 0.000000006115 0.60142 4.8
144 1H2B NAJ 0.0006856 0.43347 4.8
145 1DSS NAD 0.0005192 0.42246 4.8
146 1BW9 NAD 0.002881 0.4214 4.8
147 2BH9 NAP 0.008852 0.41672 4.8
148 2QZZ EMF 0.004322 0.40808 4.8
149 1V59 FAD 0.006549 0.40757 4.8
150 2QZZ NAP 0.004299 0.40711 4.8
151 5HJM MTA 0.009386 0.40553 4.8
152 2VYN NAD 0.00271 0.40498 4.8
153 1C1X NAD 0.004618 0.40127 4.8
154 1R37 NAD 0.001387 0.42287 4.89914
155 3KO8 NAD 0.000000004885 0.63087 5.2
156 1KEW TYD 0.0000003026 0.58877 5.2
157 1KEW NAD 0.0000008672 0.57126 5.2
158 9LDB NAD 0.00005348 0.47327 5.2
159 9LDT NAD 0.00005844 0.47179 5.2
160 2GZ3 NAP 0.0004646 0.45716 5.2
161 4PLG NAI 0.0002611 0.45511 5.2
162 1LTH NAD 0.00008264 0.44669 5.2
163 1LDN NAD 0.0002963 0.44469 5.2
164 5FA5 MTA 0.003061 0.43841 5.2
165 2B4R NAD 0.0006811 0.43079 5.2
166 3T31 DCQ 0.00551 0.41863 5.2
167 3T31 FAD 0.00511 0.4185 5.2
168 1I8T FAD 0.002795 0.41667 5.2
169 2B4R AES 0.002393 0.40844 5.2
170 4PLG OXM 0.02021 0.4064 5.2
171 3ICR FAD 0.004515 0.40626 5.2
172 3HAD NAD 0.008428 0.40562 5.2
173 3ICS FAD 0.0052 0.4049 5.2
174 1LLU NAD 0.0008032 0.40301 5.2
175 5T9E NAP 0.002261 0.40294 5.2
176 3ICT FAD 0.005674 0.40234 5.2
177 1T26 NAI 0.0006328 0.44565 5.59006
178 4HXY NDP 0.0000000002727 0.67672 5.6
179 4TQG NDP 0.000000009793 0.61217 5.6
180 3CMC NAD 0.001186 0.45241 5.6
181 4D3F NAP 0.0005854 0.45075 5.6
182 3CIF NAD 0.0003412 0.43926 5.6
183 3QV1 NAD 0.0002996 0.43085 5.6
184 3CIF G3H 0.001974 0.41811 5.6
185 5KOK SAH 0.005824 0.4147 5.6
186 2NU8 COA 0.001242 0.41155 5.6
187 3ZNN 4WL 0.01247 0.40378 5.6
188 3ZNN FAD 0.01247 0.40378 5.6
189 1D4D FAD 0.008462 0.40128 5.6
190 1O6Z NAD 0.0002837 0.42593 5.61056
191 1HDO NAP 0.000001248 0.54154 5.82524
192 4OBW SAM 0.008933 0.40967 5.83658
193 4U7W NDP 0.00000001442 0.6119 6
194 4O1M NAD 0.0000001081 0.57469 6
195 1GY8 NAD 0.0000001769 0.56862 6
196 1E7S NAP 0.0000002846 0.56269 6
197 1SOW NAD 0.0001611 0.45639 6
198 5H81 NAP 0.004132 0.41475 6
199 3UOY NAP 0.009701 0.41421 6
200 1HYH NAD 0.001137 0.41068 6
201 1RYI FAD 0.007644 0.40121 6
202 5IN4 NAP 0.000006091 0.59306 6.04396
203 5IN4 6CK 0.000005965 0.59306 6.04396
204 5IN4 GDP 0.000007102 0.58866 6.04396
205 1BXK NAD 0.00000004926 0.58547 6.4
206 1Z45 NAD 0.00000003069 0.58448 6.4
207 1UXG NAD 0.00002777 0.49489 6.4
208 1I0Z NAI 0.00007052 0.45959 6.4
209 1A5Z NAD 0.0002414 0.42193 6.4
210 2ZV2 609 0.01464 0.41749 6.4
211 1BZL FAD 0.02069 0.41143 6.4
212 2WPF FAD 0.02403 0.40811 6.4
213 3I6I NDP 0.0002483 0.40718 6.4
214 2WPF WPF 0.02786 0.40647 6.4
215 4L8V NAP 0.003222 0.40349 6.4
216 1UXG FUM 0.02524 0.40312 6.4
217 2DT5 NAD 0.001025 0.42107 6.63507
218 3WMX NAD 0.00000008754 0.58738 6.70391
219 4QTU SAM 0.004004 0.42188 6.73077
220 4ZRN NAD 0.000000006766 0.57576 6.8
221 5F5N NAD 0.0000053 0.51716 6.8
222 2PK3 A2R 0.0000002344 0.5146 6.8
223 4ZRN UPG 0.00000004553 0.47117 6.8
224 2EXX NAP 0.00009721 0.46785 6.8
225 1EZ4 NAD 0.0001409 0.46102 6.8
226 3LST SAH 0.01031 0.41725 6.8
227 3G2O SAM 0.006135 0.41704 6.8
228 4J4H 1J1 0.008449 0.40392 6.8
229 4J4H NAI 0.008449 0.40392 6.8
230 4YMH SAH 0.007347 0.40126 7.08333
231 3MJE NDP 0.0000000004126 0.66721 7.2
232 1SB8 UD2 0.00000000517 0.66421 7.2
233 1SB8 NAD 0.000000006277 0.65474 7.2
234 3VPH NAD 0.0002186 0.45273 7.2
235 3VPH OXM 0.001003 0.42963 7.2
236 5MPT SAH 0.003354 0.42886 7.2
237 1J0X NAD 0.003612 0.41621 7.2
238 5M67 ADE 0.007811 0.40697 7.2
239 3TWO NDP 0.003963 0.40626 7.2
240 4BWL MN9 0.03949 0.40482 7.2
241 5M67 NAD 0.009146 0.40416 7.2
242 5M67 3D1 0.009274 0.40391 7.2
243 1V8B NAD 0.005004 0.40341 7.2
244 2WPB ZZI 0.04352 0.40076 7.2
245 1YJQ NAP 0.004863 0.40043 7.2
246 1M0S CIT 0.03728 0.40049 7.30594
247 1RPN NDP 0.00000005378 0.53321 7.6
248 2NVK FAD 0.004437 0.41069 7.6
249 4MIG G3F 0.01022 0.40218 7.6
250 1EK6 UPG 0.000000389 0.59045 8
251 5MSO NAP 0.00000003454 0.58007 8
252 1EK6 NAI 0.00000006923 0.4533 8
253 4KOA NDP 0.01447 0.40335 8
254 2DC1 NAD 0.0007385 0.42405 8.05085
255 3ABI NAD 0.00004195 0.46804 8.4
256 5E8J SAH 0.003525 0.43967 8.4
257 3B1J NAD 0.0003321 0.43497 8.4
258 2CVQ NDP 0.001524 0.41451 8.4
259 3B20 NAD 0.0008173 0.41241 8.4
260 3AYI FAD 0.01022 0.4045 8.4
261 3AYI HCI 0.01065 0.4045 8.4
262 2F1K NAP 0.0008635 0.42999 8.8
263 2D2I NAP 0.001743 0.40059 8.8
264 2PT9 2MH 0.003089 0.40931 9.03427
265 2V6G NAP 0.000003262 0.51997 9.2
266 2FR1 NDP 0.000000006392 0.59171 9.6
267 5CAE COA 0.0006546 0.44145 10
268 2PV7 NAD 0.0005993 0.43304 10
269 1SAY PYR 0.001495 0.4216 10
270 2BKA NDP 0.000000306 0.55527 10.3306
271 2CUL FAD 0.003393 0.4089 10.3448
272 3GDH SAH 0.004363 0.40777 10.3734
273 4PVD NDP 0.00000004827 0.5741 10.4
274 3OA2 NAD 0.001518 0.41457 10.8
275 1H82 GZZ 0.01145 0.40802 10.8
276 1H82 FAD 0.012 0.40449 10.8
277 2DKH FAD 0.004141 0.40314 10.8
278 3QVP FAD 0.008431 0.40135 10.8
279 5UAV NDP 0.001436 0.42473 11.2
280 5UAV TFB 0.001436 0.42473 11.2
281 3AD8 FAD 0.005588 0.4238 11.33
282 3AD8 NAD 0.005034 0.40103 11.33
283 2Q1W NAD 0.0000001096 0.54946 11.6
284 4OOE NDP 0.00147 0.42088 11.6
285 3NYC FAD 0.01127 0.40198 11.6
286 3MB5 SAM 0.001057 0.40084 11.6
287 3V1Y NAD 0.000415 0.44253 12
288 3EGI ADP 0.02386 0.41478 12.1359
289 1LSS NAD 0.0001982 0.41859 12.1429
290 3RFV NAI 0.00000008599 0.57128 12.4
291 3RFV 15L 0.000004415 0.5024 12.4
292 2C29 NAP 0.0000000824 0.60319 12.8
293 2C29 DQH 0.000000323 0.57929 12.8
294 2Q46 NAP 0.0000001555 0.56646 12.8
295 1Y8Q ATP 0.0029 0.41503 12.8
296 2E5V FAD 0.00826 0.4017 13.2
297 2GAG FAD 0.003129 0.4206 13.6
298 4RPL FAD 0.00745 0.41721 13.6
299 4RPL 3UC 0.01 0.41363 13.6
300 2GAG NAD 0.004574 0.40604 13.6
301 2GAG FOA 0.008629 0.4027 13.6
302 4D42 W0I 0.00000004914 0.62115 14
303 4D42 NAP 0.00000004914 0.62115 14
304 3OJF IMJ 0.0000000446 0.61067 14.4
305 3OJF NDP 0.00000005177 0.59734 14.4
306 1I2B NAD 0.0000004567 0.58638 14.8
307 4EUE NAI 0.000001139 0.53944 14.8
308 1I2B UPG 0.003274 0.45565 14.8
309 1I2B USQ 0.003274 0.45565 14.8
310 4RQU NAD 0.003038 0.40309 14.8
311 1HDR NAD 0.00001912 0.40769 15.1639
312 1PL6 572 0.002749 0.40878 16
313 1PL6 NAD 0.0008904 0.40038 16
314 2C5A GDC 0.0000001006 0.44955 16.8
315 2C5A NAD 0.0000001006 0.44955 16.8
316 3ORF NAD 0.0000001765 0.56437 17.6
317 2BRY FAD 0.004916 0.40024 17.6
318 1Y1P NMN AMP PO4 0.000001943 0.55014 18.4
319 3OIG NAD 0.0000002455 0.55437 18.8
320 1UDB NAD 0.00000007174 0.61577 19.2
321 1DLJ UGA 0.009439 0.40439 19.6
322 1DLJ NAI 0.009708 0.40389 19.6
323 1FK8 NAD 0.00000000000941 0.75256 20
324 5L95 AMP 0.002173 0.4336 20
325 2DKN NAI 0.0000000000000151 0.83345 20.8
326 4J1Q NDP 0.000000008063 0.60968 22
327 4OHU NAD 0.00000002079 0.45727 22.8
328 4OHU 2TK 0.00000002079 0.45727 22.8
329 3OJO NAD 0.001286 0.40177 22.8
330 3SSO SAH 0.007165 0.40137 24
331 5F8F SFG 0.007501 0.42011 24.4
332 1WDK NAD 0.0008592 0.40614 25.2
333 3RJ5 NAD 0.00000000001525 0.74266 25.6
334 1XSE NDP 0.00000000001138 0.75222 26
335 4K26 NDP 0.0000000001523 0.68644 26
336 4K26 SFF 0.000000000494 0.68493 26
337 4Q9N NAI 0.0000002001 0.56656 27.6
338 1N5D NDP 0.00000000005781 0.70261 28.8
339 1D7O NAD 0.000003615 0.47151 29.2
340 1WMA AB3 0.00000000008252 0.72398 29.6
341 1WMA NDP 0.00000000008252 0.56633 29.6
342 2PD4 DCN 0.0000001323 0.58139 30
343 2PD4 NAD 0.0000001523 0.57901 30
344 1QG6 TCL 0.00000009981 0.59983 30.4
345 1QG6 NAD 0.00000009981 0.59983 30.4
346 5CG1 NAD BBN 0.00000231 0.40268 30.4
347 5L4S NAP 0.000000000012 0.74442 31.1321
348 5L4S 6KX 0.000000000012 0.74442 31.1321
349 5GT9 NAP 0.00000000008965 0.69529 32.4
350 2HMT NAI 0.0003732 0.41716 33.3333
351 3CH6 NAP 0.000000000486 0.71819 34.4
352 3CH6 311 0.000000000486 0.71819 34.4
353 1SNY NAP 0.000000001882 0.62626 34.8
354 4J7U NAP 0.0000000006532 0.68594 35.2
355 4J7U YTZ 0.0000000006532 0.68594 35.2
356 1Z6Z NAP 0.0000000003525 0.66983 35.2
357 1A27 NAP 0.00000000004416 0.70434 35.6
358 3RKR NAP 0.0000007939 0.44314 35.6
359 1GZ6 NAI 0.000000000188 0.65562 36
360 3H4V DVP 0.000000003775 0.65536 36
361 3H4V NAP 0.00000001316 0.63188 36
362 3TN7 NJP 0.0000000000004914 0.78221 36.4
363 1OAA OAA 0.0000000001492 0.71362 36.8
364 3O26 NDP 0.0000000000007747 0.77151 37.2
365 3HB5 NAP 0.00000000008069 0.54011 37.2
366 1W73 NAP 0.00000000005273 0.73114 38
367 1W8D NAP 0.00000000002399 0.67688 38
368 1ZBQ NAD 0.00000000002684 0.71815 38.4
369 3WXB NDP 0.000000000004675 0.71248 38.8
370 1W6U NAP 0.00000000001961 0.68035 39.2
371 4YAG NAI 0.000000000006083 0.60721 39.2
372 5L53 NAP 0.0000000003664 0.61769 39.6
373 3V1U NAD 0.0000000000004082 0.74933 40
374 2BD0 NAP 0.00000000000001577 0.84294 40.9836
375 4O0L NDP 0.000000000003974 0.71627 41.2
376 2WYV NAD 0.000008148 0.50288 41.2
377 1XG5 NAP 0.0000000000008855 0.73829 43.2
378 1MXH DHF 0.00000000559 0.64117 43.4783
379 1MXH NAP 0.00000001237 0.62751 43.4783
380 2JAH NDP 0.00000000000005274 0.81948 43.7247
381 3OID NDP 0.000000000001151 0.77384 44.4
382 4FC7 NAP 0.000000000176 0.7088 44.8
383 4FC7 COA 0.000000000176 0.7088 44.8
384 3U4C NDP 0.000000000867 0.65225 44.8
385 2JAP NDP 0.00000000000002831 0.79145 44.9393
386 3D3W NAP 0.000000000005166 0.74855 45.9016
387 1G0N PHH 0.0000000000002325 0.82201 46
388 1G0N NDP 0.0000000000001849 0.81851 46
389 3ZV6 NAD 0.000000000002402 0.78144 46
390 3ZV6 4HB 0.000000000002729 0.78144 46
391 4OSP NAP 0.000000000007229 0.7314 46
392 1BDB NAD 0.00000000003055 0.66315 46
393 5K6A NAP 0.0000000004525 0.66568 46.4
394 5JDC NAP 0.000000001443 0.64383 46.4
395 3AFN NAP 0.000000000002362 0.76174 46.8
396 3NUG NAD 0.00000000000004896 0.82072 47.3684
397 5THQ NDP 0.000000000006967 0.73502 47.4265
398 2VZ0 NAP 0.00000001967 0.66472 47.6
399 2VZ0 D64 0.00000001967 0.66472 47.6
400 3JQ8 NAP 0.0000000005964 0.66109 47.6
401 4CM9 NAP 0.000000000599 0.66102 47.6
402 3BMN NAP 0.0000000009996 0.65251 47.6
403 4CLO NAP 0.000000001403 0.65108 47.6
404 3BMQ NAP 0.0000000005405 0.64906 47.6
405 3JQF NAP 0.0000000005868 0.64777 47.6
406 4CME NAP 0.000000001209 0.64675 47.6
407 5JCJ NAP 0.000000001242 0.64632 47.6
408 4CM8 NAP 0.000000001494 0.64326 47.6
409 3BMO NAP 0.000000001576 0.64237 47.6
410 5JDI NAP 0.000000001664 0.64148 47.6
411 4CM4 NAP 0.000000001773 0.64043 47.6
412 4CLR NAP 0.000000001957 0.6388 47.6
413 2WD7 NAP 0.000000002096 0.63766 47.6
414 4CMI NAP 0.000000002189 0.63694 47.6
415 3JQ7 NAP 0.000000003338 0.63651 47.6
416 3JQ9 NAP 0.000000002725 0.63585 47.6
417 3JQA NAP 0.000000003887 0.63395 47.6
418 3JQG NAP 0.000000004395 0.63188 47.6
419 3JQB NAP 0.000000005185 0.61627 47.6
420 5JCJ 6JM 0.02823 0.41087 47.6
421 2EWM NAD 0.000000000000304 0.79022 48.1928
422 2AE2 NAP 0.0000000000006245 0.80248 48.8
423 3SJU NDP 0.00000000000007738 0.7771 48.8
424 2AE2 PTO 0.0000000000006245 0.65185 48.8
425 3GEG NAD 0.00000000001335 0.71304 48.9879
426 4ZA2 NAD 0.0000000000008276 0.76723 49.6
427 5T2U NAP 0.0000000000004453 0.72527 50
Pocket No.: 5; Query (leader) PDB : 2CFC; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2cfc.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2CFC; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2cfc.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2CFC; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2cfc.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2CFC; Ligand: KPC; Similar sites found: 74
This union binding pocket(no: 8) in the query (biounit: 2cfc.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1WVG CXY 0.001112 0.47778 2
2 3NNT DQA 0.01212 0.40757 2
3 4QCK ASD 0.02163 0.40054 2
4 2AIB ERG 0.03217 0.40573 2.04082
5 3CB0 FMN 0.008395 0.41827 2.31214
6 5BR4 NAD 0.03331 0.41429 2.4
7 1TB3 FMN 0.03471 0.40214 2.4
8 2Y4N PAC 0.004107 0.44714 2.8
9 2Y4N DLL 0.01513 0.42782 2.8
10 1I0S NAP 0.04392 0.4016 2.95858
11 1I0S FMN 0.03299 0.4016 2.95858
12 1I1D COA 0.02504 0.40777 3.10559
13 1R6D DAU 0.007741 0.46423 3.2
14 5L4L 7OX 0.04473 0.41085 3.28947
15 4UTW RFW 0.01959 0.40434 3.49345
16 1OC2 NAD 0.017 0.44647 3.6
17 2EQA AMP 0.0106 0.43104 3.6
18 4MAE PQQ 0.01377 0.41565 3.6
19 5K8B PDG 0.02587 0.4051 3.6
20 4PIV 2W4 0.001032 0.4718 4
21 3X0D SAH 0.01599 0.414 4
22 2VVM FAD 0.04322 0.41373 4
23 5IE3 AMP 0.03561 0.4049 4
24 5IE3 OXD 0.03561 0.4049 4
25 1MI3 NAD 0.02212 0.42086 4.4
26 4JEM C5P 0.02509 0.40333 4.70588
27 1R37 NAD 0.04222 0.40903 4.89914
28 1KEW NAD 0.01362 0.4489 5.2
29 1KEW TYD 0.01357 0.44831 5.2
30 5X2Z 3LM 0.03706 0.40209 5.2
31 3F3E LEU 0.04468 0.41018 5.6
32 1YNH SUO 0.02552 0.40736 5.6
33 3B1Q NOS 0.02486 0.40212 6
34 1CJW COT 0.03037 0.40917 6.0241
35 3WMX THR 0.007131 0.40727 6.70391
36 2PK3 GDD 0.01915 0.41777 6.8
37 1SB8 UD2 0.02553 0.43364 7.2
38 1EK6 UPG 0.03339 0.43018 8
39 3EBL GA4 0.03179 0.40013 8.4
40 3KDU NKS 0.04323 0.41622 9.6
41 1T36 U 0.02846 0.40031 10.8
42 3RFV 15L 0.01988 0.41911 12.4
43 2C29 NAP 0.000436 0.52882 12.8
44 2C29 DQH 0.000436 0.52882 12.8
45 1I2B NAD 0.009378 0.4615 14.8
46 1EU8 TRE 0.01406 0.42081 15.2
47 1UDB NAD 0.03609 0.42512 19.2
48 2DKN NAI 0.03664 0.40589 20.8
49 3RJ5 NAD 0.0000091 0.61563 25.6
50 1XSE NDP 0.00002343 0.59498 26
51 4K26 SFF 0.0008687 0.50547 26
52 1WMA AB3 0.003397 0.47701 29.6
53 5L4S NAP 0.0009187 0.50396 31.1321
54 5L4S 6KX 0.0009187 0.50396 31.1321
55 3CH6 311 0.0001859 0.56341 34.4
56 3CH6 NAP 0.0001859 0.56341 34.4
57 4J7U YTZ 0.0002564 0.54016 35.2
58 4J7U NAP 0.0002564 0.54016 35.2
59 1A27 EST 0.000105 0.52007 35.6
60 3TN7 NJP 0.02809 0.41608 36.4
61 1OAA OAA 0.0001278 0.55848 36.8
62 1ZMT RNO 0.04241 0.40433 40
63 2BD0 BIO 0.000009397 0.47523 40.9836
64 2BD0 NAP 0.008419 0.44627 40.9836
65 2JAP J01 0.0004149 0.45141 44.9393
66 1G0N PHH 0.0002635 0.53797 46
67 1G0N NDP 0.0002723 0.53479 46
68 3ZV6 4HB 0.0005777 0.52035 46
69 3ZV6 NAD 0.0005524 0.52035 46
70 4OSP 2V4 0.0005631 0.46965 46
71 3NUG NAD 0.04352 0.40487 47.3684
72 3JQ9 AX1 0.01567 0.40033 47.6
73 2AE2 NAP 0.00007538 0.56981 48.8
74 3AI3 SOL 0.00003944 0.52656 49.6
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