Receptor
PDB id Resolution Class Description Source Keywords
1ML3 2.5 Å EC: 1.2.1.12 EVIDENCES FOR A FLIP-FLOP CATALYTIC MECHANISM OF TRYPANOSOMA CRUZI GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE,F ROM ITS CRYSTAL STRUCTURE IN COMPLEX WITH REACTED IR REVERSIBLE INHIBITOR 2-(2-PHOSPHONO-ETHYL)-ACRYLIC ACID 4-N ITRO-PHENYL ESTER TRYPANOSOMA CRUZI PROTEIN COVALENT-INHIBITOR COMPLEX OXIDOREDUCTASE
Ref.: EVIDENCE FOR THE TWO PHOSPHATE BINDING SITES OF AN ANALOGUE OF THE THIOACYL INTERMEDIATE FOR THE TRYPANOSOMA CRUZI GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE-CATALYZED REACTION, FROM ITS CRYSTAL STRUCTURE. BIOCHEMISTRY V. 42 7143 200
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CYX B:1166;
C:2166;
D:3166;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
164.096 C5 H9 O4 P C=C(C...
NAD B:1362;
C:1360;
D:1361;
Valid;
Valid;
Valid;
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
1K3T 1.95 Å EC: 1.2.1.12 STRUCTURE OF GLYCOSOMAL GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM TRYPANOSOMA CRUZI COMPLEXED WITH C HALEPIN, A COUMARIN DERIVATIVE INHIBITOR TRYPANOSOMA CRUZI APO-PROTEIN GGAPDH-CHALEPIN COMPLEX GLYCOSOME TRYPANOSOMA CRUZI OXIDOREDUCTASE
Ref.: STRUCTURE OF TRYPANOSOMA CRUZI GLYCOSOMAL GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE COMPLEXED WITH CHALEPIN, A NATURAL PRODUCT INHIBITOR, AT 1.95 A RESOLUTION. FEBS LETT. V. 520 13 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1K3T ic50 = 64 uM BRZ C19 H22 O4 CC(C)(C=C)....
2 1ML3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1K3T ic50 = 64 uM BRZ C19 H22 O4 CC(C)(C=C)....
2 1ML3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (53)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1CER - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1HDG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 5JYE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 5JY6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 4QX6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 3V1Y - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 5C7O - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 3H9E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 3PFW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1SZJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 1DSS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 2D2I - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 3L4S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 3LVF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 3LC1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 3K73 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 3KSD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 3HQ4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 3K9Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 3KV3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 1K3T ic50 = 64 uM BRZ C19 H22 O4 CC(C)(C=C)....
22 1ML3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 5LD5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 3B20 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 4O59 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1J0X Kd = 0.01 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 1ZNQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 1U8F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 4WNI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
30 4WNC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 4O63 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 4Z0H - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 2DBV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
34 4DBV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
35 1DBV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 3DBV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 1NQA - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 3CMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 1NQO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 1NPT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 1GD1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 1NQ5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 2B4R - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 2B4T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 2PKR - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
46 1RM3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
47 1RM5 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
48 1RM4 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
49 3CIF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1VSV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 1GAD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1DC6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 1GAE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CYX; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 CYX 1 1
2 3PP 0.4 0.78125
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 : 1K3T; Ligand: BRZ; Similar sites found: 350
This union binding pocket(no: 1) in the query (biounit: 1k3t.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4K28 NAD 0.0000579 0.4868 0.743494
2 1OBB NAD 0.008411 0.40106 1.11421
3 4MP8 NAD 0.00001072 0.46757 1.17994
4 3VPH NAD 0.0006233 0.42368 1.29032
5 3VPH OXM 0.001476 0.40214 1.29032
6 3VYW SAM 0.003516 0.42621 1.2987
7 2WW2 SWA 0.01053 0.43396 1.39276
8 1PN0 IPH 0.003106 0.41369 1.39276
9 1PN0 FAD 0.002949 0.41369 1.39276
10 1RM0 NAI 0.00007409 0.41011 1.39276
11 1RM0 D6P 0.0000541 0.40488 1.39276
12 1OMO NAD 0.00001726 0.51283 1.5528
13 1X14 NAD 0.0005607 0.47411 1.67131
14 4XQC NAD 0.00009116 0.41516 1.67131
15 2GV8 NDP 0.003937 0.4148 1.67131
16 4XQC 13D 0.00007786 0.41357 1.67131
17 1F8G NAD 0.007178 0.40957 1.67131
18 1L7E NAI 0.006736 0.40786 1.67131
19 4XYB NDP 0.001568 0.40527 1.67131
20 4PLG NAI 0.0009326 0.40196 1.79641
21 9LDB NAD 0.0003863 0.437 1.80723
22 9LDT NAD 0.0003019 0.42817 1.80723
23 1EZ4 NAD 0.000276 0.41621 1.88679
24 2VHW NAI 0.0002146 0.44465 1.94986
25 1V8B NAD 0.00008148 0.44087 1.94986
26 3UCL NAP 0.00156 0.43827 1.94986
27 2WPF FAD 0.00379 0.43426 1.94986
28 1H2B NAJ 0.0003553 0.43256 1.94986
29 2WPF WPF 0.005102 0.43025 1.94986
30 1CDO NAD 0.001747 0.42338 1.94986
31 3UCL FAD 0.003672 0.42137 1.94986
32 3UCL CYH 0.003672 0.42137 1.94986
33 2GZ3 NAP 0.00003896 0.41231 1.94986
34 3GFB NAD 0.0003171 0.44973 2
35 2DFV NAD 0.00002228 0.49523 2.01729
36 3ICT ADP 0.000162 0.51588 2.04082
37 3ICS ADP 0.0002057 0.51072 2.04082
38 1C3M MAN MAN 0.03202 0.41167 2.04082
39 3ICR FAD 0.002497 0.40649 2.04082
40 1WP4 NDP 0.002108 0.41727 2.07612
41 2CVZ NDP 0.005474 0.40344 2.07612
42 1I0Z NAI 0.001125 0.42229 2.1021
43 1B8U NAD 0.002277 0.43451 2.12766
44 2HJR APR 0.0002435 0.46894 2.13415
45 5BSH PRO 0.002198 0.40157 2.16606
46 3FUU ADN 0.01013 0.40896 2.21402
47 2IZ1 ATR 0.01066 0.43717 2.22841
48 1Q9I TEO 0.002693 0.42175 2.22841
49 3LXD FAD 0.0009025 0.42042 2.22841
50 2X3N FAD 0.0003728 0.41649 2.22841
51 2RGJ FAD 0.001623 0.40856 2.22841
52 2V3A FAD 0.00245 0.40791 2.22841
53 1P0F NAP 0.002181 0.40629 2.22841
54 5TUK FAD 0.004352 0.40483 2.22841
55 2DKD NG1 0.04237 0.40202 2.22841
56 4HXY NDP 0.001773 0.41215 2.28311
57 1DIG NAP 0.002983 0.40126 2.28758
58 3ORF NAD 0.001929 0.41603 2.39044
59 2A92 NAI 0.001159 0.41644 2.49221
60 1VKO NAD 0.00009024 0.45741 2.50696
61 1YKJ FAD 0.000996 0.44257 2.50696
62 1YKJ PHB 0.000996 0.44257 2.50696
63 1TB4 PEJ 0.0003825 0.44018 2.50696
64 5DN9 NAD 0.0002667 0.43709 2.50696
65 2YVF NAD 0.001329 0.43686 2.50696
66 2YVF FAD 0.001272 0.43686 2.50696
67 4EIP K2C 0.0007287 0.43603 2.50696
68 4EIP FAD 0.0007287 0.43603 2.50696
69 5JAQ NAI 0.0006167 0.43135 2.50696
70 1SC6 NAD 0.000746 0.42351 2.50696
71 1U1I NAD 0.0009082 0.414 2.50696
72 2NAD NAD 0.001447 0.41289 2.50696
73 5MZI FYK 0.005946 0.41034 2.50696
74 5MZI FAD 0.005711 0.41034 2.50696
75 3GD4 NAD 0.007755 0.40526 2.50696
76 4ZGS NAD 0.0003554 0.40389 2.59067
77 1O6Z NAD 0.001654 0.43047 2.64026
78 1VI2 NAD 0.001369 0.44064 2.66667
79 2P3V SRT 0.02344 0.42315 2.73438
80 1NPD NAD 0.001327 0.43445 2.77778
81 3OJO NAD 0.0001615 0.47649 2.78552
82 3ABI NAD 0.0004954 0.43589 2.78552
83 4KP7 1UQ 0.0006311 0.43538 2.78552
84 4KP7 NAP 0.0008097 0.43524 2.78552
85 3WQQ IB3 0.0007834 0.4297 2.78552
86 5BUK FAD 0.001339 0.424 2.78552
87 4K5S FAD 0.0006701 0.42254 2.78552
88 1UWK NAD 0.001691 0.4211 2.78552
89 1SAY PYR 0.0005716 0.42102 2.78552
90 1LTH NAD 0.0001165 0.47836 2.82132
91 1SB8 UD2 0.005259 0.4073 2.84091
92 1SB8 NAD 0.006075 0.40162 2.84091
93 1HYE NAP 0.00363 0.41925 2.8754
94 2FR1 NDP 0.001709 0.4102 2.88066
95 4W6Z 8ID 0.0003166 0.43843 2.88184
96 1GV0 NAD 0.0006473 0.41379 2.90323
97 3R7F CP 0.0402 0.4065 2.96053
98 2DBZ NAP 0.0003469 0.41863 2.99401
99 1DXY NAD 0.0002349 0.41815 3.003
100 5M67 NAD 0.0000771 0.47547 3.06407
101 5M67 3D1 0.00008548 0.47375 3.06407
102 5M67 ADE 0.00009362 0.47223 3.06407
103 4R5M NAP 0.0001619 0.45778 3.06407
104 4R5M 4NO 0.0002495 0.44413 3.06407
105 3ETG NDP 0.001221 0.4328 3.06407
106 3ETG GLU 0.001232 0.43265 3.06407
107 4J36 1HR 0.0008363 0.43075 3.06407
108 2Q1S NAI 0.0008675 0.43014 3.06407
109 4YNU FAD 0.001494 0.42219 3.06407
110 4YNU LGC 0.001869 0.42219 3.06407
111 1P31 EPU 0.007477 0.41816 3.06407
112 3ETG GTP 0.001917 0.41807 3.06407
113 4J36 FAD 0.001086 0.4149 3.06407
114 2RGO FAD 0.001621 0.41344 3.06407
115 2O4C NAD 0.000976 0.4107 3.06407
116 1PJS NAD 0.00005503 0.40263 3.06407
117 2BH9 NAP 0.02482 0.40018 3.06407
118 3B1F NAD 0.00003151 0.51125 3.10345
119 3GGO ENO 0.0005157 0.43653 3.18471
120 3GGO NAI 0.0002336 0.40454 3.18471
121 4D42 NAP 0.005199 0.40589 3.19149
122 4D42 W0I 0.005199 0.40589 3.19149
123 3WLV AZA 0.04412 0.40488 3.20513
124 2F1K NAP 0.00003739 0.49038 3.22581
125 1LJ8 NAD 0.00146 0.43944 3.24544
126 1M2W NAD 0.002002 0.4302 3.24544
127 3BAZ NAP 0.000532 0.44747 3.3033
128 1J49 NAD 0.0003468 0.44495 3.3033
129 5H81 NAP 0.0008822 0.44887 3.34262
130 1MUU NAD 0.0008758 0.43862 3.34262
131 1KOL NAD 0.0001574 0.43291 3.34262
132 1BZL FAD 0.007722 0.42177 3.34262
133 1UAY ADN 0.01184 0.4192 3.34262
134 5MQ6 NDP 0.004399 0.41571 3.34262
135 3IHG FAD 0.00249 0.41172 3.34262
136 1RYI FAD 0.002546 0.41045 3.34262
137 3C7A NAD 0.0229 0.40861 3.34262
138 1SOW NAD 0.0006535 0.42564 3.35366
139 4IF4 BEF 0.01385 0.4219 3.36538
140 1BW9 NAD 0.00003734 0.50808 3.37079
141 1PL6 NAD 0.00008035 0.49834 3.37079
142 1PL6 572 0.0002347 0.44207 3.37079
143 1BXG NAD 0.00007236 0.43596 3.37079
144 1C1X NAD 0.00006493 0.48076 3.38028
145 1LDN NAD 0.000389 0.42462 3.48101
146 3CH6 NAP 0.004428 0.41611 3.4965
147 3CH6 311 0.004428 0.41611 3.4965
148 5CAE COA 0.0009194 0.44107 3.51438
149 5CAE SIN 0.001764 0.40724 3.51438
150 1XG5 NAP 0.003403 0.4015 3.58423
151 3KB6 NAD 0.0002572 0.45332 3.59281
152 4RQU NAD 0.0005667 0.43667 3.62117
153 2X6T NAP 0.001281 0.42015 3.62117
154 5KMS NAD 0.003345 0.4188 3.62117
155 1GY8 NAD 0.001356 0.41652 3.62117
156 1QO8 FAD 0.003791 0.40492 3.62117
157 1YJQ NAP 0.0004115 0.43024 3.63036
158 1HKU NAD 0.0002935 0.44148 3.63128
159 2GCG NDP 0.0007379 0.43223 3.63636
160 1KYQ NAD 0.00001666 0.54533 3.64964
161 4XUC 43G 0.001752 0.40861 3.66972
162 4XUC SAM 0.001752 0.40861 3.66972
163 1NYT NAP 0.001534 0.42869 3.69004
164 3BJE URA 0.03775 0.41357 3.72493
165 4YMH SAH 0.01118 0.40407 3.75
166 4JJF FE9 0.005079 0.40218 3.77907
167 2DT5 NAD 0.0001096 0.46435 3.79147
168 2AHR NAP 0.002831 0.40956 3.861
169 1HYH NAD 0.0003625 0.43804 3.8835
170 1FK8 NAD 0.00431 0.41034 3.89105
171 3CGD FAD 0.002018 0.43872 3.89972
172 3CGD COA 0.002018 0.43872 3.89972
173 3UOY NAP 0.01019 0.40485 3.89972
174 3UOY FAD 0.01019 0.40485 3.89972
175 3WMX NAD 0.003753 0.41004 3.91061
176 1VM6 NAD 0.00006349 0.43533 3.94737
177 5FJN BE2 0.001288 0.42562 3.94737
178 5FJN FAD 0.002574 0.41127 3.94737
179 1LDM NAD 0.0005547 0.43402 3.95137
180 1YKF NAP 0.0008462 0.42702 3.97727
181 2HK9 ATR 0.00004474 0.55056 4
182 1X7D NAD 0.0001101 0.46429 4
183 2HK9 NAP 0.0003308 0.45239 4
184 1X7D ORN 0.0002467 0.42151 4
185 1A5Z NAD 0.0002358 0.47358 4.07523
186 1LLU NAD 0.0002089 0.43635 4.09357
187 3S5W FAD 0.0008761 0.41266 4.10367
188 3WV8 ATP 0.00002719 0.41837 4.12844
189 2JHF NAD 0.002919 0.45117 4.17827
190 3L9W GSH 0.000654 0.43426 4.17827
191 3L9W AMP 0.001011 0.4213 4.17827
192 2Y6Q FAD 0.001658 0.41069 4.17827
193 5VN0 NAI 0.003623 0.41065 4.17827
194 5UAO FAD 0.002126 0.4102 4.17827
195 4X9M FAD 0.00244 0.41011 4.17827
196 1EQ2 NAP 0.000948 0.42514 4.19355
197 4KOA NDP 0.003323 0.43805 4.2042
198 2YN4 39J 0.013 0.43424 4.23729
199 3WBF NAP 0.001336 0.42222 4.2623
200 3WBF API 0.001521 0.40958 4.2623
201 3Q3C NAD 0.003515 0.41685 4.34783
202 2B4Q NAP 0.002944 0.40634 4.34783
203 1R6D NAD 0.003336 0.41579 4.45104
204 1R6D DAU 0.003205 0.41567 4.45104
205 2IXB NAD 0.0002939 0.44146 4.45682
206 2IXB A2G 0.000183 0.42152 4.45682
207 3ML1 MGD 0.01381 0.40125 4.45682
208 2VOH CIT 0.01832 0.42127 4.4586
209 2B5W NAP 0.0003222 0.42639 4.48179
210 3HVJ 705 0.0005453 0.43096 4.52489
211 3DXY SAM 0.001986 0.46168 4.58716
212 2HNK SAH 0.005104 0.41909 4.60251
213 5J60 FAD 0.002225 0.41161 4.6875
214 3CTY FAD 0.001695 0.42011 4.70219
215 3MB5 SAM 0.004615 0.41483 4.70588
216 1JAY NAP 0.005131 0.41587 4.71698
217 1ZMD NAI 0.0005971 0.44542 4.73538
218 2NVK NAP 0.01144 0.43665 4.73538
219 1DJN ADP 0.002014 0.4301 4.73538
220 2F5Z FAD 0.005221 0.4006 4.73538
221 3CBG SAH 0.003146 0.43915 4.74138
222 4YCA NDP 0.000683 0.43975 4.7619
223 4MDH NAD 0.004386 0.4047 4.79042
224 5MDH NAD 0.005283 0.4015 4.8048
225 1V6A TRE 0.00266 0.47361 4.81928
226 2NU8 COA 0.001314 0.42835 4.86111
227 1Y8Q ATP 0.003614 0.41635 4.91329
228 3JV7 NAD 0.0007328 0.4294 4.92754
229 1GQ2 NAP 0.00005855 0.47492 5.01393
230 3NJ4 NAD 0.0009157 0.46813 5.01393
231 3NJ4 AFX 0.001514 0.45877 5.01393
232 1F8F NAD 0.0009278 0.4376 5.01393
233 5JCM NAD 0.004689 0.41713 5.01393
234 5JCM FAD 0.004514 0.41713 5.01393
235 5JCM ISD 0.004689 0.41713 5.01393
236 4BV6 FAD 0.002612 0.41003 5.01393
237 5N53 8NB 0.01174 0.43831 5.12821
238 2Q46 NAP 0.0006443 0.43451 5.13834
239 1P77 ATR 0.0002855 0.52258 5.14706
240 5T9E NAP 0.0003462 0.41323 5.16605
241 2OOR NAD 0.008925 0.40547 5.17241
242 1ZQ9 SAM 0.001247 0.45376 5.26316
243 1LVL NAD 0.0009983 0.45026 5.29248
244 1JNR FAD 0.005176 0.42029 5.29248
245 2QRK AMP 0.001245 0.41885 5.29248
246 1FEC FAD 0.002306 0.41689 5.29248
247 1EBF NAD 0.00005534 0.43287 5.30726
248 2G5C NAD 0.0004913 0.43603 5.33808
249 4J4H 1J1 0.0001005 0.46893 5.40541
250 4J4H NAI 0.0001005 0.46893 5.40541
251 4JK3 NAD 0.0000302 0.44889 5.40541
252 1KEV NDP 0.0002139 0.43617 5.41311
253 1JQD SAH 0.00449 0.40177 5.47945
254 5T9F TYR 0.0008533 0.42376 5.53506
255 5T9F NAP 0.0008023 0.42354 5.53506
256 5U8U FAD 0.0005756 0.45353 5.57103
257 4TXI FAD 0.000972 0.41383 5.57103
258 1E3I CXF 0.0006682 0.41272 5.57103
259 2BRY FAD 0.00175 0.40737 5.57103
260 4DSU BZI 0.02102 0.42352 5.82011
261 1O0S NAI 0.00002081 0.51414 5.84958
262 2R4J 13P 0.003086 0.41631 5.84958
263 1QMG APX 0.008146 0.40436 5.84958
264 2JE7 XMM 0.01758 0.42659 5.85774
265 3WLE NAD 0.000669 0.42645 5.8651
266 1J5P NAD 0.0004347 0.44433 5.92885
267 4GKV NAD 0.001176 0.40927 5.95238
268 2I3G NAP 0.0005826 0.4303 5.96591
269 1GR0 NAD 0.0002972 0.43103 6.12813
270 3SQP FAD 0.03001 0.41302 6.12813
271 1MO9 KPC 0.00965 0.41194 6.12813
272 1MO9 FAD 0.009412 0.41187 6.12813
273 4XDY NAI 0.00328 0.41239 6.21302
274 4BVA T3 0.0008477 0.42505 6.26866
275 4BVA NDP 0.001247 0.40629 6.26866
276 1D1T NAD 0.0003939 0.43376 6.40669
277 1L5Y BEF 0.03014 0.40102 6.45161
278 5JE8 NAD 0.00008127 0.48078 6.62252
279 4TM3 FAD 0.00183 0.43549 6.68524
280 1L1E SAH 0.01234 0.40817 6.96864
281 2YYY NAP 0.00001191 0.47211 6.99708
282 5GZ6 NDP 0.000953 0.45115 7.05521
283 5GZ6 7C3 0.001021 0.44259 7.05521
284 4XB2 HSE 0.0001201 0.44648 7.16418
285 4XB2 NDP 0.00003404 0.43493 7.16418
286 3LAD FAD 0.004126 0.40353 7.24234
287 4E5N NAD 0.0005153 0.4323 7.27273
288 4L8V NAP 0.0001413 0.43716 7.4184
289 4OPC FDA 0.01181 0.41445 7.52089
290 2GLX NDP 0.004755 0.41138 7.53012
291 1TDF NAP 0.01294 0.4024 7.59494
292 1MV8 NAD 0.0007687 0.43769 7.79944
293 3SSO SAH 0.002741 0.43098 7.79944
294 3KLJ FAD 0.001339 0.4116 7.79944
295 2XVE FAD 0.007901 0.40544 7.79944
296 1E1M FAD 0.00759 0.40186 7.79944
297 1YB5 NAP 0.002127 0.40073 7.97721
298 2YVJ NAI 0.001999 0.44439 8.25688
299 4E13 NAD 0.0002706 0.47517 8.48057
300 1LSS NAD 0.0003217 0.47187 8.57143
301 1WDK NAD 0.0001584 0.47684 8.6351
302 1GET NAP 0.007357 0.41115 8.91365
303 1GET FAD 0.009008 0.40639 8.91365
304 1E5Q NDP 0.001032 0.42657 9.1922
305 4II2 ATP 0.002084 0.43621 9.20245
306 5AYV KPL 0.0005186 0.42925 9.38511
307 5AYV NAP 0.0001362 0.41472 9.38511
308 2WSB NAD 0.004209 0.40123 9.44882
309 2CDC NAP 0.0004464 0.45794 9.47075
310 1V59 FAD 0.005516 0.40151 9.47075
311 2EUG URA 0.01427 0.42474 9.60699
312 3OA2 NAD 0.000637 0.4347 9.74843
313 1JG3 ADN 0.004471 0.42839 9.78723
314 5O4J 9KH 0.0009712 0.41798 9.85401
315 5O4J SAH 0.0009712 0.41798 9.85401
316 5O4J PJL 0.0009715 0.41667 9.85401
317 3OND ADN 0.00008685 0.47243 10.0279
318 3OND NAD 0.00008685 0.40076 10.0279
319 1P1C SAH 0.001896 0.4312 10.0503
320 2PV7 NAD 0.00009389 0.47059 10.0671
321 5UAV NDP 0.0001906 0.44655 10.559
322 5UAV TFB 0.0001906 0.44655 10.559
323 3H8V ATP 0.0002399 0.48647 10.6164
324 5MX4 HPA 0.01822 0.43019 10.7296
325 3T31 FAD 0.002839 0.41931 10.8635
326 3T31 DCQ 0.003107 0.41931 10.8635
327 2FZW NAD 0.0001978 0.40718 10.8635
328 2HMT NAI 0.00145 0.43956 11.1111
329 2O07 MTA 0.005338 0.40133 11.1842
330 1O94 ADP 0.002045 0.42664 11.25
331 1UXG NAD 0.0001303 0.42615 11.3269
332 1GUZ NAD 0.0009764 0.4047 11.6129
333 2FKA BEF 0.007205 0.42434 11.6279
334 1G0N PHH 0.004281 0.40195 11.6608
335 1G0N NDP 0.003746 0.40105 11.6608
336 1H5Q NAP 0.003037 0.40336 11.6981
337 3FGZ BEF 0.02643 0.41495 11.7188
338 4RDH AMP 0.001583 0.45735 11.8056
339 1NVM NAD 0.000006309 0.50409 11.8841
340 1FWV SGA MAG FUC 0.0185 0.43301 11.9403
341 1U7T NAD 0.00471 0.40347 12.6437
342 1C3V NDP 0.0002636 0.44323 12.6531
343 2Q0L NAP 0.007308 0.42565 12.8617
344 3LN9 FLC 0.02849 0.40891 12.9496
345 1DRV A3D 0.003263 0.42436 13.1868
346 2EV9 NAP 0.0002066 0.43806 14.0684
347 2EV9 SKM 0.0002066 0.43806 14.0684
348 1ZEM NAD 0.0005041 0.44505 15.2672
349 5FI3 NAP 0.001801 0.41449 17.9272
350 2DC1 NAD 0.0008561 0.43272 24.5763
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