Receptor
PDB id Resolution Class Description Source Keywords
1FK8 1.95 Å EC: 1.1.1.50 THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX WITH NAD OF 3- ALPHA-HYDROXYSTEROID DEHYDROGENASE FROM COMAMONAS T ESTOSTERONI, A MEMBER OF THE SHORT CHAIN DE HYDROGENASE/REDUCTASE FAMILY COMAMONAS TESTOSTERONI SHORT CHAIN DEHYDROGENASE SDR CARBONYL REDUCTASE STEROIDHYDROXYSTEROID XENOBIOTIC METYRAPONE OLIGOMERISATION COMAMONAS TESTOSTERONI NAD NICOTINAMIDE ADENINE DINUCLEOTIDE SUBSTRATE BINDING LOOP OXIDOREDUCTASE
Ref.: THE CRYSTAL STRUCTURE OF 3ALPHA -HYDROXYSTEROID DEHYDROGENASE/CARBONYL REDUCTASE FROM COMAMONAS TESTOSTERONI SHOWS A NOVEL OLIGOMERIZATION PATTERN WITHIN THE SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY. J.BIOL.CHEM. V. 275 41333 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:800;
B:1800;
Valid;
Valid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FK8 1.95 Å EC: 1.1.1.50 THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX WITH NAD OF 3- ALPHA-HYDROXYSTEROID DEHYDROGENASE FROM COMAMONAS T ESTOSTERONI, A MEMBER OF THE SHORT CHAIN DE HYDROGENASE/REDUCTASE FAMILY COMAMONAS TESTOSTERONI SHORT CHAIN DEHYDROGENASE SDR CARBONYL REDUCTASE STEROIDHYDROXYSTEROID XENOBIOTIC METYRAPONE OLIGOMERISATION COMAMONAS TESTOSTERONI NAD NICOTINAMIDE ADENINE DINUCLEOTIDE SUBSTRATE BINDING LOOP OXIDOREDUCTASE
Ref.: THE CRYSTAL STRUCTURE OF 3ALPHA -HYDROXYSTEROID DEHYDROGENASE/CARBONYL REDUCTASE FROM COMAMONAS TESTOSTERONI SHOWS A NOVEL OLIGOMERIZATION PATTERN WITHIN THE SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY. J.BIOL.CHEM. V. 275 41333 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1FK8 - 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 2 families.
1 1FK8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1FK8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 2DKN Kd = 8.8 uM NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
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 : 1FK8; Ligand: NAD; 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: 1fk8.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1FK8; Ligand: NAD; Similar sites found: 437
This union binding pocket(no: 2) in the query (biounit: 1fk8.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4J7U NAP 0.0000000005499 0.71087 0.694444
2 4J7U YTZ 0.0000000005499 0.71087 0.694444
3 3KB6 NAD 0.002532 0.413 0.77821
4 1OAA OAA 0.00000000005443 0.75523 1.16732
5 5MDH NAD 0.0001266 0.46495 1.16732
6 4MDH NAD 0.000154 0.44602 1.16732
7 4J4H NAI 0.01514 0.40032 1.16732
8 4J4H 1J1 0.01514 0.40032 1.16732
9 1Z6Z NAP 0.00000000008574 0.71689 1.94553
10 2G5C NAD 0.0009452 0.43311 1.94553
11 1J0X NAD 0.007813 0.41003 1.94553
12 2JJQ SAH 0.0145 0.40607 1.94553
13 1RJD SAM 0.001352 0.40428 1.94553
14 1X87 NAD 0.002289 0.40405 1.94553
15 3OFK SAH 0.004309 0.42325 2.31481
16 9LDT NAD 0.0002357 0.45896 2.33463
17 9LDB NAD 0.0002617 0.45712 2.33463
18 1HYE NAP 0.0002128 0.44351 2.33463
19 4ZGS NAD 0.0003881 0.43787 2.33463
20 2A92 NAI 0.0008999 0.43679 2.33463
21 1UWK NAD 0.002281 0.43461 2.33463
22 1UWK URO 0.002281 0.43461 2.33463
23 1EZ4 NAD 0.0009417 0.42165 2.33463
24 1SAY PYR 0.002599 0.42055 2.33463
25 1G55 SAH 0.006877 0.40728 2.33463
26 1SC6 NAD 0.005244 0.40564 2.33463
27 5TH5 MET 0.03238 0.40551 2.33463
28 5M67 NAD 0.01265 0.40528 2.33463
29 5G3U ITW 0.01064 0.40521 2.33463
30 5M67 ADE 0.01271 0.40519 2.33463
31 1V8B NAD 0.007184 0.40464 2.33463
32 5M67 3D1 0.01357 0.40396 2.33463
33 4X7Y SAH 0.01123 0.40152 2.33463
34 2Q46 NAP 0.0000001126 0.58902 2.37154
35 4K6B GLU 0.01433 0.42255 2.48447
36 2Q1S NAI 0.000002848 0.55558 2.72374
37 2YY7 NAD 0.000002407 0.53955 2.72374
38 5JAQ NAI 0.000009019 0.52899 2.72374
39 4ZRN NAD 0.00000005999 0.52788 2.72374
40 1LDN NAD 0.0004141 0.44905 2.72374
41 4ZRN UPG 0.0000004467 0.43544 2.72374
42 5F8F SFG 0.003281 0.43258 2.72374
43 1NVM NAD 0.0013 0.42893 2.72374
44 1H2B NAJ 0.001682 0.42705 2.72374
45 3NJ4 AFX 0.02674 0.41883 2.72374
46 3NJ4 NAD 0.02732 0.41838 2.72374
47 5CAE COA 0.003401 0.40778 2.72374
48 3C1O NAP 0.002972 0.40268 2.72374
49 1DQN IMU 0.01554 0.41629 3.04348
50 4TQG NDP 0.00000009331 0.59228 3.11284
51 1Z45 NAD 0.00000009338 0.54982 3.11284
52 4D79 ATP 0.000335 0.46885 3.11284
53 4RDH AMP 0.001158 0.45354 3.11284
54 1Q0H NDP 0.001656 0.4424 3.11284
55 1Q0H FOM 0.001497 0.4424 3.11284
56 1N4W FAD 0.008151 0.40925 3.11284
57 1BW9 NAD 0.004604 0.40842 3.11284
58 1PJS NAD 0.0005341 0.40802 3.11284
59 3G2O SAM 0.008899 0.40559 3.11284
60 1D1T NAD 0.005566 0.40458 3.11284
61 1PS9 FAD 0.009902 0.40383 3.11284
62 5E9W SAH 0.0002722 0.40187 3.11284
63 1J5P NAD 0.004172 0.40433 3.16206
64 5J6Y BGC 0.03518 0.40165 3.19149
65 5J6Y GLC 0.03518 0.40165 3.19149
66 3F81 STT 0.01007 0.41091 3.27869
67 4QTU SAM 0.005818 0.41045 3.36538
68 2FR1 NDP 0.0000003733 0.5743 3.50195
69 1R6D NAD 0.000003355 0.56359 3.50195
70 1OC2 NAD 0.000005525 0.55633 3.50195
71 1I2B NAD 0.000006518 0.55215 3.50195
72 1R6D DAU 0.000006958 0.54875 3.50195
73 5L4L 7OX 0.00001432 0.51776 3.50195
74 5L4L NAP 0.000003923 0.51643 3.50195
75 3GGO ENO 0.0006359 0.45404 3.50195
76 3GGO NAI 0.0006359 0.45404 3.50195
77 3VPH NAD 0.0003816 0.45336 3.50195
78 5LD5 NAD 0.0003568 0.45096 3.50195
79 2CVQ NDP 0.0007908 0.43474 3.50195
80 1I2B USQ 0.01748 0.42908 3.50195
81 1I2B UPG 0.01748 0.42908 3.50195
82 1TUU ADP 0.01673 0.41901 3.50195
83 3VPH OXM 0.003452 0.41668 3.50195
84 2I7C AAT 0.003059 0.41643 3.50195
85 2PT9 2MH 0.004113 0.41237 3.50195
86 1X7D ORN 0.005009 0.41222 3.50195
87 1X7D NAD 0.003321 0.40972 3.50195
88 2DKH FAD 0.006277 0.40366 3.50195
89 1ZH8 NAP 0.00437 0.40353 3.50195
90 2IXB NAD 0.001076 0.40264 3.50195
91 2HK9 NAP 0.004478 0.40166 3.50195
92 2CDU FAD 0.009077 0.40043 3.50195
93 1ORR NAD 0.00000005321 0.61077 3.89105
94 5MSO NAP 0.0000001833 0.57594 3.89105
95 1RKX NAD 0.00000001269 0.57379 3.89105
96 1GY8 NAD 0.0000003569 0.5731 3.89105
97 1GV0 NAD 0.0002348 0.45748 3.89105
98 1U1I NAD 0.002112 0.42426 3.89105
99 4XB2 HSE 0.003985 0.4105 3.89105
100 1K3T BRZ 0.00431 0.41034 3.89105
101 4XB2 NDP 0.001899 0.40827 3.89105
102 1N7G NDP 0.000002618 0.58229 4.28016
103 3OJF IMJ 0.000000708 0.57822 4.28016
104 3OJF NDP 0.0000005051 0.57453 4.28016
105 1N7G GDR 0.00000496 0.55838 4.28016
106 2C29 NAP 0.000003139 0.55379 4.28016
107 2C29 DQH 0.000003533 0.55162 4.28016
108 4EUE NAI 0.000001753 0.547 4.28016
109 1V6A TRE 0.0001776 0.52515 4.28016
110 2EXX NAP 0.000254 0.46198 4.28016
111 1T26 NAI 0.001204 0.44343 4.28016
112 1A5Z NAD 0.0001954 0.44104 4.28016
113 1CER NAD 0.0007505 0.42573 4.28016
114 4DSG FAD 0.008195 0.42212 4.28016
115 4DSG UDP 0.01071 0.41565 4.28016
116 1PL6 572 0.003171 0.41454 4.28016
117 1CF2 NAP 0.002205 0.4139 4.28016
118 5UAO FAD 0.006896 0.40749 4.28016
119 2OBF F83 0.008967 0.40658 4.28016
120 1PL6 NAD 0.00141 0.40498 4.28016
121 3TWO NDP 0.007764 0.40215 4.28016
122 2BD0 NAP 0.000000000001534 0.79328 4.5082
123 1HDR NAD 0.000004577 0.55315 4.5082
124 4U7W NDP 0.00000007233 0.5711 4.66926
125 4GKV NAD 0.0006719 0.44466 4.66926
126 5UAV NDP 0.0008132 0.44379 4.66926
127 5UAV TFB 0.0008132 0.44379 4.66926
128 1HYH NAD 0.0009413 0.43461 4.66926
129 3L4S 3PG 0.00122 0.43275 4.66926
130 3L4S NAD 0.001132 0.43275 4.66926
131 3A06 FOM 0.001546 0.43225 4.66926
132 3A06 NDP 0.001464 0.43079 4.66926
133 3B1F NAD 0.0003866 0.43068 4.66926
134 2JL1 NAP 0.0004015 0.43041 4.66926
135 2DFV NAD 0.001765 0.41926 4.66926
136 4R5M 4NO 0.002279 0.41906 4.66926
137 1GAD NAD 0.001654 0.41886 4.66926
138 4R5M NAP 0.002031 0.4183 4.66926
139 2B4R AES 0.002821 0.41396 4.66926
140 4K28 NAD 0.002122 0.41299 4.66926
141 2B4R NAD 0.003872 0.40972 4.66926
142 1GTE FAD 0.01481 0.40942 4.66926
143 3V1Y NAD 0.00456 0.40134 4.66926
144 1HDO NAP 0.000004379 0.53427 4.85437
145 1UXG NAD 0.0001504 0.47669 4.85437
146 1EJ0 SAM 0.0009083 0.40499 5
147 3MJE NDP 0.000000002952 0.65495 5.05837
148 4PVD NDP 0.000000333 0.56564 5.05837
149 3LU1 NAD 0.00000003368 0.5654 5.05837
150 3H8V ATP 0.00004964 0.4505 5.05837
151 1E5Q NDP 0.0006953 0.43698 5.05837
152 1LDM NAD 0.0002408 0.42977 5.05837
153 3CMC NAD 0.008179 0.42406 5.05837
154 2FGQ MLT 0.01944 0.42188 5.05837
155 3B1J NAD 0.003484 0.41025 5.05837
156 2NAD NAD 0.006115 0.40643 5.05837
157 1NAA 6FA 0.01208 0.40198 5.05837
158 1NAA ABL 0.01766 0.40198 5.05837
159 1B8U OAA 0.0009686 0.43549 5.16717
160 1B8U NAD 0.0003518 0.42517 5.16717
161 1Y1P NMN AMP PO4 0.000004108 0.53043 5.44747
162 2GZ3 NAP 0.0006818 0.45985 5.44747
163 1I0Z NAI 0.0002613 0.45561 5.44747
164 1I8T FAD 0.002268 0.42871 5.44747
165 2FZW NAD 0.00643 0.41362 5.44747
166 3LST SAH 0.0116 0.41068 5.44747
167 4E5N NAD 0.003785 0.41012 5.44747
168 2GSD NAD 0.00699 0.40403 5.44747
169 3HDY FAD 0.02351 0.40174 5.44747
170 2HJR APR 0.00002448 0.49865 5.79268
171 5L4S 6KX 0.000000004921 0.66139 5.83658
172 5L4S NAP 0.000000004921 0.66139 5.83658
173 5KKA 6V0 0.00003697 0.44679 5.83658
174 2QRK AMP 0.003156 0.42165 5.83658
175 3H9E NAD 0.00276 0.41002 5.83658
176 3WGT QSC 0.01501 0.40207 5.83658
177 3WGT FAD 0.01561 0.40055 5.83658
178 5GT9 NAP 0.000000000007627 0.76214 6.22568
179 1ZBQ NAD 0.00000001124 0.63615 6.22568
180 4GLL NAD 0.00000009782 0.59795 6.22568
181 1RPN NDP 0.0000006747 0.48571 6.22568
182 4NEC SAH 0.003439 0.43163 6.22568
183 2VHW NAI 0.003603 0.41705 6.22568
184 4RPL 3UC 0.01247 0.41648 6.22568
185 5E58 CPZ 0.02707 0.4082 6.22568
186 2ZWA SAH 0.001454 0.40712 6.22568
187 4J36 FAD 0.005173 0.40709 6.22568
188 4J36 1HR 0.01018 0.40513 6.22568
189 1MV8 NAD 0.003693 0.40499 6.22568
190 5JE8 NAD 0.003494 0.40443 6.22568
191 1MUU NAD 0.003642 0.40371 6.22568
192 3KO8 NAD 0.00000001557 0.6304 6.61479
193 1UDB NAD 0.000001923 0.57174 6.61479
194 1GZ6 NAI 0.00000001771 0.56756 6.61479
195 4AUT FAD 0.003891 0.41786 6.61479
196 5T9E NAP 0.001776 0.41763 6.61479
197 2PV7 NAD 0.002088 0.41635 6.61479
198 1E1M NAP 0.01165 0.40988 6.61479
199 1E1M FAD 0.01165 0.40988 6.61479
200 5KOK SAH 0.006451 0.40849 6.61479
201 2EV9 NAP 0.005276 0.40553 6.61479
202 1BXK NAD 0.0000008049 0.55475 7.00389
203 1LLU NAD 0.0006227 0.44601 7.00389
204 1YS4 NAP 0.0001935 0.44049 7.00389
205 5T9F TYR 0.001291 0.43668 7.00389
206 3OA2 NAD 0.0001939 0.43618 7.00389
207 5T9F NAP 0.001515 0.43261 7.00389
208 2F1K NAP 0.0006025 0.4294 7.00389
209 4KP7 NAP 0.004018 0.42589 7.00389
210 4KP7 1UQ 0.005106 0.41787 7.00389
211 3T31 FAD 0.01726 0.40313 7.00389
212 3T31 DCQ 0.01869 0.40298 7.00389
213 4M73 M72 0.008778 0.40208 7.00389
214 3UOY NAP 0.02823 0.40051 7.00389
215 3RJ5 NAD 0.000000001767 0.68187 7.08661
216 3QV1 NAD 0.001531 0.4186 7.31707
217 1WVG APR 0.000000488 0.55672 7.393
218 4PIV NDP 0.000003866 0.53122 7.393
219 4OOE NDP 0.0003957 0.436 7.393
220 2DBZ NAP 0.001387 0.42494 7.393
221 4E13 NAD 0.002075 0.40059 7.393
222 2BKA NDP 0.0000001761 0.58122 7.43802
223 4K26 SFF 0.0000000003817 0.71163 7.7821
224 4K26 NDP 0.0000000001578 0.70888 7.7821
225 4J1Q NDP 0.0000003135 0.56897 7.7821
226 3WMX NAD 0.000002951 0.5189 7.7821
227 4PLG NAI 0.0004883 0.45419 7.7821
228 4W6Z 8ID 0.0004841 0.4531 7.7821
229 1GUZ NAD 0.0004531 0.44444 7.7821
230 1LTH NAD 0.0002851 0.44332 7.7821
231 4L8V NAP 0.002602 0.41537 7.7821
232 1GR0 NAD 0.003868 0.41347 7.7821
233 2GCG NDP 0.005345 0.40275 7.7821
234 1Y8Q ATP 0.005182 0.40041 7.7821
235 5FTW SAH 0.007306 0.40301 7.8125
236 1R37 NAD 0.005457 0.40732 8.64553
237 3RFV NAI 0.000000032 0.60852 8.94942
238 1EK6 UPG 0.000002906 0.5685 8.94942
239 4YAG NAI 0.00000000008242 0.55317 8.94942
240 3RFV 15L 0.000001556 0.53906 8.94942
241 1EK6 NAI 0.000001121 0.41446 8.94942
242 4N14 WR7 0.01624 0.40823 8.94942
243 4C3Y FAD 0.01047 0.40281 8.94942
244 5E8J SAH 0.000279 0.48745 9.09091
245 1XSE NDP 0.0000000001202 0.73468 9.33852
246 5IN4 6CK 0.00002443 0.5769 9.33852
247 5IN4 NAP 0.00002564 0.57628 9.33852
248 5IN4 GDP 0.00002758 0.57353 9.33852
249 1NYT NAP 0.003046 0.40678 9.33852
250 2DT5 NAD 0.002013 0.40008 9.47867
251 1SOW NAD 0.0002523 0.45925 9.72763
252 3HAD NAD 0.01542 0.40157 9.72763
253 5JCA FAD 0.01056 0.40357 9.85915
254 2C5A NAD 0.0000003891 0.60418 10.1167
255 2Q1W NAD 0.000002002 0.54465 10.1167
256 2C5A GDC 0.0000003891 0.4254 10.1167
257 1O6Z NAD 0.0005476 0.43218 10.231
258 2GDZ NAD 0.00000000003205 0.73411 10.5058
259 5MPT SAH 0.004093 0.4206 10.5058
260 3SSO SAH 0.006466 0.41067 10.5058
261 1V35 NAI 0.000002414 0.55582 10.8949
262 2PZM UDP 0.0000113 0.53025 10.8949
263 2PZM NAD 0.0000113 0.53025 10.8949
264 5F5N NAD 0.00001659 0.48977 10.8949
265 1KEW TYD 0.000003026 0.56206 11.284
266 1KEW NAD 0.00001082 0.53936 11.284
267 2VDV SAM 0.002968 0.4388 11.3821
268 1LSS NAD 0.0008146 0.41357 11.4286
269 3ORF NAD 0.00000003753 0.60815 11.5538
270 3ABI NAD 0.0002338 0.43016 11.6732
271 4HXY NDP 0.00000002913 0.61715 12.0623
272 2PK3 A2R 0.000001255 0.51265 12.4514
273 2HMT NAI 0.0001551 0.44502 12.5
274 5C2N NAG 0.0354 0.40249 12.5
275 1E7S NAP 0.000000119 0.59449 12.8405
276 5THY SAH 0.0035 0.41666 13.2296
277 4IXW IXW 0.02921 0.40219 13.3858
278 1VL0 NAI 0.00000004012 0.59958 13.6187
279 1HDG NAD 0.001092 0.42439 13.6187
280 2V6G NAP 0.0000009479 0.55593 14.0078
281 1DSS NAD 0.003963 0.40226 14.786
282 2PD4 NAD 0.0000003685 0.58016 14.9091
283 2PD4 DCN 0.0000003713 0.58003 14.9091
284 1VM6 NAD 0.002261 0.4119 14.9123
285 4O1M NAD 0.0000007893 0.55715 15.1751
286 1D7O NAD 0.000002095 0.46498 15.1751
287 3CIF NAD 0.002519 0.41454 15.1751
288 3CIF G3H 0.004333 0.41261 15.1751
289 3OID NDP 0.0000000009654 0.68187 15.9533
290 2BH9 NAP 0.002375 0.43908 15.9533
291 5L95 AMP 0.00006471 0.49541 16.25
292 3CH6 311 0.000000001275 0.72175 16.3424
293 3CH6 NAP 0.000000001275 0.72175 16.3424
294 3H4V DVP 0.000000001245 0.6959 16.3424
295 3H4V NAP 0.000000003341 0.67602 16.3424
296 5EPO NAP 0.000000003324 0.60112 16.3424
297 5EPO TUD 0.01322 0.40111 16.3424
298 4D42 W0I 0.000001236 0.57881 17.1206
299 4D42 NAP 0.000001236 0.57881 17.1206
300 2Q2V NAD 0.000000000004151 0.77849 17.2549
301 2EWM NAD 0.00000000001177 0.75452 17.2691
302 3GEG NAD 0.00000000001363 0.74305 17.4089
303 4OSP NAP 0.000000000000699 0.79785 17.5097
304 3U4C NDP 0.00000002625 0.61438 17.5097
305 2WYV NAD 0.000004031 0.52862 17.5097
306 1X1T NAD 0.000000000005303 0.77414 17.8988
307 1ZEM NAD 0.00000000277 0.64823 17.8988
308 1MXH DHF 0.00000001585 0.64221 17.8988
309 1MXH NAP 0.0000000353 0.62774 17.8988
310 3OIG NAD 0.000001142 0.54657 17.8988
311 4XZ3 COA 0.003283 0.41142 17.8988
312 4II2 ATP 0.001254 0.40647 17.8988
313 3ICC NAP 0.000000000001144 0.79846 18.0392
314 3NUG NAD 0.0000000001778 0.70678 18.2186
315 4FC7 NAP 0.000000002427 0.68367 18.2879
316 4FC7 COA 0.000000002427 0.68367 18.2879
317 1JA9 NDP 0.000000003634 0.65609 18.2879
318 1W6U NAP 0.000000006268 0.62454 18.2879
319 1QG6 NAD 0.000001036 0.57416 18.2879
320 1QG6 TCL 0.000001036 0.57416 18.2879
321 3SJ7 NDP 0.0000000001908 0.70014 18.6508
322 3AY6 NAI 0.00000000008427 0.73464 18.677
323 3AY6 BGC 0.0000000004125 0.72846 18.677
324 1GEE NAD 0.0000000000809 0.65707 18.677
325 3O26 NDP 0.0000000009986 0.67392 19.0661
326 3WXB NDP 0.0000000008378 0.61254 19.0661
327 4KWI NAP 0.00000000001707 0.58854 19.0661
328 4KWI 1TJ 0.00000000001922 0.57989 19.0661
329 2RH4 EMO 0.00000000003007 0.5456 19.0661
330 4XYM COA 0.006264 0.41222 19.0661
331 4O0L NDP 0.0000000001047 0.71609 19.4553
332 5K6A NAP 0.0000000002949 0.69527 19.4553
333 3BMN NAP 0.0000000003906 0.69035 19.4553
334 4CM9 NAP 0.0000000004127 0.68939 19.4553
335 3JQ8 NAP 0.0000000004794 0.68676 19.4553
336 2VZ0 D64 0.00000002497 0.6788 19.4553
337 2VZ0 NAP 0.00000002497 0.6788 19.4553
338 5JDI NAP 0.00000000131 0.66659 19.4553
339 3BMO NAP 0.000000001441 0.66493 19.4553
340 2WD7 NAP 0.000000001577 0.66336 19.4553
341 4CLR NAP 0.000000001746 0.66159 19.4553
342 3JQ9 NAP 0.000000002039 0.66143 19.4553
343 3JQB NAP 0.000000003165 0.64863 19.4553
344 3JQ7 NAP 0.0000000007401 0.64488 19.4553
345 4CLO NAP 0.00000000112 0.6381 19.4553
346 5JCJ NAP 0.0000000008887 0.63139 19.4553
347 4CM8 NAP 0.0000000008933 0.63134 19.4553
348 4CME NAP 0.0000000009404 0.63134 19.4553
349 5JDC NAP 0.0000000009494 0.63036 19.4553
350 3JQA NAP 0.00000000193 0.62927 19.4553
351 4CM4 NAP 0.000000001038 0.62887 19.4553
352 3BMQ NAP 0.0000000008142 0.62371 19.4553
353 3JQF NAP 0.0000000008558 0.62291 19.4553
354 3JQG NAP 0.000000003082 0.62169 19.4553
355 4CMI NAP 0.000000001819 0.62052 19.4553
356 4Q9N NAI 0.000001306 0.55029 19.4553
357 1E3W NAD 0.0000000000028 0.70668 19.8444
358 1E6W NAD 0.000000000003766 0.70259 19.8444
359 3QWI NAP 0.0000000002766 0.70156 19.8444
360 3QWI CUE 0.0000000008248 0.70156 19.8444
361 1W8D NAP 0.000000009562 0.61836 19.8444
362 1W73 NAP 0.00000001358 0.61154 19.8444
363 1SB8 UD2 0.0000004621 0.59971 19.8444
364 1SB8 NAD 0.0000005153 0.59255 19.8444
365 2CFC NAD 0.00000000000941 0.75256 20
366 3A4V NAD 0.000000483 0.57708 20.2335
367 3A4V PYR 0.000000483 0.49147 20.2335
368 5ITV NAI 0.000000000003627 0.7752 20.3922
369 1G0N PHH 0.0000000004104 0.71431 20.6226
370 1G0N NDP 0.0000000003389 0.71171 20.6226
371 4ITU NAI 0.0000000002901 0.70319 20.6226
372 4ITU 1HS 0.0000000008364 0.70319 20.6226
373 5L53 NAP 0.000000002194 0.62572 20.6226
374 4CQM NAP 0.000000000006513 0.76199 20.9016
375 1NFQ NAI 0.00000000004296 0.73444 21.0117
376 3SJU NDP 0.000000000007881 0.67889 21.0117
377 3VZS NAP 0.000000005029 0.67376 21.0117
378 3VZS CAA 0.00000003641 0.41683 21.0117
379 1EDO NAP 0.0000000000126 0.75609 21.3115
380 1ZK4 NAP 0.0000000003329 0.7077 21.5139
381 1UZN NAP 0.0000002508 0.51335 21.8623
382 1H9A NAP 0.0005096 0.44958 22.179
383 1N5D NDP 0.00000000704 0.64211 22.5681
384 1AE1 NAP 0.00000000001813 0.75234 22.9572
385 2X6T NAP 0.000001572 0.54509 24.1245
386 1EQ2 NAP 0.000002303 0.53841 24.1245
387 2DC1 NAD 0.0007769 0.4335 24.1525
388 1A27 NAP 0.000000002638 0.65693 24.5136
389 3HB5 NAP 0.000000006711 0.47988 24.5136
390 3TN7 NJP 0.000000000002692 0.78045 24.9027
391 2XVE FAD 0.01305 0.41186 24.9027
392 4OHU 2TK 0.000002226 0.4037 27.6265
393 4OHU NAD 0.000002226 0.4037 27.6265
394 1SNY NAP 0.00000000591 0.63517 30.7393
395 4R1S NAP 0.0000009475 0.54761 30.7393
396 2AE2 NAP 0.00000000001831 0.76893 31.1284
397 2AE2 PTO 0.00000000001831 0.58954 31.1284
398 1WMA AB3 0.00000001345 0.65398 31.5175
399 1WMA NDP 0.00000001345 0.49245 31.5175
400 2ZAT NAP 0.000000001417 0.66779 33.463
401 1VL8 NAP 0.00000000007035 0.63095 33.8521
402 2JAP NDP 0.000000000001506 0.70278 34.0081
403 4QED NAP 0.000000001625 0.6654 35.4839
404 5THQ NDP 0.0000000000436 0.72872 37.7432
405 2BGM NAJ 0.0000000002116 0.69259 37.7698
406 4FN4 NAD 0.000000000002195 0.78103 38.9764
407 3V1U NAD 0.0000000002076 0.68988 39.2996
408 3A28 NAD 0.00000000004105 0.66849 39.2996
409 4ZA2 NAD 0.00000000003125 0.73166 39.5257
410 3ZV6 NAD 0.0000000001864 0.72871 40.4669
411 3ZV6 4HB 0.0000000002076 0.72871 40.4669
412 1XG5 NAP 0.00000000002319 0.66573 40.4669
413 2JAH NDP 0.000000000003245 0.77716 40.8907
414 4NBU NAI 0.00000000001454 0.67245 41.2
415 3RKR NAP 0.00000007424 0.49627 41.2451
416 1GEG NAD 0.00000000003161 0.67187 41.4062
417 1BDB NAD 0.00000000305 0.57757 41.6342
418 1H5Q NAP 0.0000000001509 0.70967 43.0189
419 1XHL NDP 0.000000000004316 0.77502 43.1907
420 2B4Q NAP 0.00000000003268 0.73377 43.1907
421 2WSB NAD 0.00000000005144 0.75013 43.3071
422 4NBT NAD 0.000000000008857 0.75362 43.3333
423 3O03 NAP 0.00000001651 0.61745 43.5798
424 2AG5 NAD 0.0000000008113 0.67756 43.9024
425 3AFN NAP 0.000000000009237 0.7643 44.186
426 3D3W NAP 0.000000000001985 0.79157 44.2623
427 1PR9 NAP 0.000000000003926 0.77947 44.2623
428 2DTX BMA 0.00000000004661 0.74977 44.7471
429 1O5I NAD 0.0000002939 0.53454 44.9799
430 1U7T NAD 0.000000000003259 0.76785 45.1362
431 1U7T TDT 0.00000000002316 0.76679 45.1362
432 1XKQ NDP 0.000000000009331 0.76412 45.1362
433 1Q7B NAP 0.0000000005607 0.62761 45.4918
434 4NBW NAD 0.00000000001323 0.74357 46.6926
435 1IY8 NAD 0.00000000000254 0.78147 47.0817
436 5T2U NAP 0.000000000001302 0.68382 47.1774
437 1UAY ADN 0.0000006412 0.48322 48.3471
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