Receptor
PDB id Resolution Class Description Source Keywords
1HEX 2.5 Å EC: 1.1.1.85 STRUCTURE OF 3-ISOPROPYLMALATE DEHYDROGENASE IN COMPLEX WITH LIGAND-INDUCED LOOP-CLOSING AND MECHANISM FOR COFACTOR SPEC THERMUS THERMOPHILUS OXIDOREDUCTASE
Ref.: STRUCTURE OF 3-ISOPROPYLMALATE DEHYDROGENASE IN COM NAD+: LIGAND-INDUCED LOOP CLOSING AND MECHANISM FOR SPECIFICITY. STRUCTURE V. 2 1007 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:400;
Valid;
none;
Ki = 614.6 uM
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HEX 2.5 Å EC: 1.1.1.85 STRUCTURE OF 3-ISOPROPYLMALATE DEHYDROGENASE IN COMPLEX WITH LIGAND-INDUCED LOOP-CLOSING AND MECHANISM FOR COFACTOR SPEC THERMUS THERMOPHILUS OXIDOREDUCTASE
Ref.: STRUCTURE OF 3-ISOPROPYLMALATE DEHYDROGENASE IN COM NAD+: LIGAND-INDUCED LOOP CLOSING AND MECHANISM FOR SPECIFICITY. STRUCTURE V. 2 1007 1994
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2Y42 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 2Y41 - IPM C7 H12 O5 CC(C)[C@@H....
3 1HEX Ki = 614.6 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2Y42 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 2Y41 - IPM C7 H12 O5 CC(C)[C@@H....
3 1HEX Ki = 614.6 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4Y1P - IPM C7 H12 O5 CC(C)[C@@H....
2 1A05 - IPM C7 H12 O5 CC(C)[C@@H....
3 5J32 Kd = 8.3 uM IPM C7 H12 O5 CC(C)[C@@H....
4 3TY3 - GGG C6 H11 N3 O4 C(C(=O)NCC....
5 2Y42 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 2Y41 - IPM C7 H12 O5 CC(C)[C@@H....
7 1HEX Ki = 614.6 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 5HN6 - IPM C7 H12 O5 CC(C)[C@@H....
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 : 1HEX; Ligand: NAD; Similar sites found: 370
This union binding pocket(no: 1) in the query (biounit: 1hex.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4A6F SEP 0.000911 0.50801 None
2 2X2T GAL NGA 0.01795 0.43049 None
3 3F8C HT1 0.005682 0.42986 None
4 3WUC GLC GAL 0.01069 0.42876 None
5 2ALG DAO 0.00671 0.42662 None
6 3KPE TM3 0.009465 0.42538 None
7 2E1A MSE 0.005042 0.42167 None
8 2XRH NIO 0.02519 0.41079 None
9 2HJ3 FAD 0.002149 0.40276 None
10 4KCF FMN 0.001382 0.43469 1.15942
11 1Y42 TYR 0.01388 0.40766 1.15942
12 1FP1 SAH 0.005322 0.40344 1.15942
13 1V6A TRE 0.002912 0.44284 1.20482
14 1RYD GLC 0.02166 0.40865 1.44928
15 3NNF AKG 0.02314 0.40731 1.45349
16 4OB6 S2T 0.006199 0.40096 1.46628
17 2X0K PPV 0.01784 0.40519 1.47929
18 4N7U 2JA 0.01811 0.43029 1.57895
19 2P41 SAH 0.0006581 0.42827 1.63934
20 1OIK AKG 0.01327 0.41857 1.66113
21 1O9U ADZ 0.0002134 0.53029 1.73913
22 1PEA ACM 0.001365 0.47968 1.73913
23 3CQ5 PMP 0.004715 0.42289 1.73913
24 4HA6 PXM 0.004853 0.43292 1.77165
25 1SOW OXL 0.02011 0.42791 1.82927
26 1YOE RIB 0.006908 0.41593 1.86335
27 2EB5 OXL 0.007577 0.42986 1.87266
28 1BTN I3P 0.006974 0.47735 1.88679
29 3W9F I3P 0.009774 0.43314 1.92308
30 4JK3 NAD 0.0002413 0.40768 1.9305
31 3PMA SCR 0.01673 0.40412 1.9305
32 1JJV ATP 0.01231 0.42965 1.94175
33 3PMD 11A 0.01125 0.40272 1.96078
34 1XE7 GUN 0.01585 0.43332 1.97044
35 4CIB 7UZ 0.001549 0.45508 2.02899
36 1Q11 TYE 0.003074 0.43604 2.02899
37 1KTC NGA 0.004499 0.42888 2.02899
38 2IZ1 ATR 0.008323 0.42797 2.02899
39 3UEC ALA ARG TPO LYS 0.005188 0.44385 2.05479
40 1AX2 NDG GAL 0.001438 0.45031 2.09205
41 1I0Z OXM 0.03613 0.41456 2.1021
42 9LDB OXM 0.02499 0.43003 2.10843
43 9LDT OXM 0.0333 0.4232 2.10843
44 3SIX GDP 0.004824 0.41324 2.12121
45 2Q3M MLA 0.005329 0.45793 2.14724
46 2DWU DGL 0.002132 0.43734 2.17391
47 3I6B KDO 0.01729 0.4035 2.22222
48 2OHV NHL 0.009787 0.40957 2.27273
49 5EQU AKG 0.02037 0.42113 2.29508
50 1XX4 BAM 0.006533 0.45333 2.29885
51 3B9Q MLI 0.04458 0.40019 2.31788
52 1P9B HDA 0.001869 0.45144 2.31884
53 1WDA BAG 0.001861 0.43982 2.31884
54 2NCD ADP 0.0088 0.42134 2.31884
55 3JQ3 ADP 0.006339 0.41288 2.31884
56 4WVH ASP HIS ASP ALA HIS ALA 0.009459 0.41019 2.31884
57 2O2C G6Q 0.003812 0.40885 2.31884
58 1ECC PCP 0.001319 0.40282 2.31884
59 3UDG TMP 0.001506 0.48636 2.32558
60 1QD0 RR6 0.003516 0.41867 2.34375
61 1RZM E4P 0.003259 0.45353 2.36686
62 1M1B SPV 0.006314 0.4278 2.37288
63 1QDS PGA 0.001266 0.44134 2.39044
64 1DXY COI 0.02453 0.42339 2.4024
65 3BHO B4P 0.02901 0.42648 2.40385
66 1IM8 SAI 0.001796 0.40537 2.45902
67 1UW1 ADP 0.001295 0.45857 2.5
68 2JE7 XMM 0.03636 0.40375 2.51046
69 2ZE3 AKG 0.01334 0.41324 2.54545
70 2DVZ GLU 0.002378 0.43022 2.54777
71 4P9Z NMI PTR 02K ASN NH2 0.01224 0.41002 2.5641
72 3PNA CMP 0.0001204 0.48962 2.5974
73 4WBD ADP 0.006405 0.43945 2.6087
74 4O8A 2OP 0.01967 0.42842 2.6087
75 2I4O ATP 0.009373 0.40596 2.6087
76 2F2U M77 0.01226 0.4012 2.6087
77 2WMO GTP 0.001769 0.42575 2.63158
78 4KOA NDP 0.004952 0.40084 2.7027
79 1Y13 BIO 0.01224 0.40123 2.76243
80 2W3L DRO 0.02797 0.42041 2.77778
81 1X8X TYR 0.01143 0.40244 2.79503
82 1NW5 SAM 0.002414 0.4046 2.82132
83 4N7C AEF 0.03167 0.40596 2.84091
84 1DCP HBI 0.04948 0.40565 2.88462
85 3TKA CTN 0.007026 0.47504 2.89855
86 4W6Z ETF 0.01214 0.43935 2.89855
87 1KO0 LYS 0.01343 0.43019 2.89855
88 3M6W SAM 0.001586 0.42308 2.89855
89 3B9Z CO2 0.01772 0.41272 2.89855
90 3K5X P8D 0.006554 0.41229 2.89855
91 3H9E NAD 0.0004728 0.4065 2.89855
92 3O2K QRP 0.01149 0.40234 2.89855
93 3UIE ADX 0.001159 0.4328 3
94 3UIE ANP 0.005997 0.41386 3
95 3E81 SLB 0.01785 0.40754 3.04878
96 1OGD RIP 0.002701 0.43847 3.05344
97 4NAO AKG 0.03508 0.4038 3.06748
98 1NNS ASP 0.01061 0.40375 3.06748
99 3ZUY TCH 0.004884 0.41749 3.09598
100 4ME6 ADP 0.005894 0.42914 3.10881
101 4BT5 23B 0.00519 0.42114 3.11284
102 1H8G CHT 0.006733 0.47049 3.15789
103 3SQG COM 0.008241 0.45625 3.18841
104 1Z45 GAL 0.00228 0.44165 3.18841
105 1GJW GLC 0.009182 0.43194 3.18841
106 2D7D ADP 0.0256 0.40392 3.18841
107 3RHZ UDP 0.002863 0.40567 3.24484
108 1C3V PDC 0.01603 0.40966 3.26531
109 1SS4 GSH 0.005406 0.48298 3.26797
110 1SS4 CIT 0.003888 0.47828 3.26797
111 3F81 STT 0.0009779 0.49608 3.27869
112 2CW6 3HG 0.006834 0.45232 3.3557
113 3CBG 4FE 0.009188 0.45369 3.44828
114 3CBG FER 0.0111 0.44138 3.44828
115 3RF4 FUN 0.01923 0.40148 3.44828
116 2YIV NBN 0.001799 0.4659 3.47826
117 4M5P MLA 0.008121 0.4566 3.47826
118 2C5S AMP 0.001223 0.44746 3.47826
119 2YIV YIV 0.006735 0.44517 3.47826
120 4M5P 23W 0.01516 0.42756 3.47826
121 3V1U HXC 0.004297 0.41976 3.47826
122 5T0A A3P 0.006614 0.40994 3.47826
123 1HK8 DGT 0.004177 0.40352 3.47826
124 3JDW ORN 0.006274 0.40077 3.47826
125 4BI7 PGA 0.001735 0.4411 3.50195
126 1Y2W NAG 0.009392 0.42553 3.52113
127 3SCH TB6 0.02418 0.40642 3.53535
128 1Z41 FMN 0.003357 0.41092 3.5503
129 1H8P PC 0.0001208 0.54307 3.66972
130 1ECM TSA 0.005886 0.41885 3.66972
131 3K56 IS3 0.003821 0.41291 3.7594
132 4C2G ALA ALA ALA ALA 0.0003915 0.46818 3.76812
133 3L6R MLI 0.002356 0.46028 3.76812
134 4N9Z V3L 0.006842 0.4513 3.76812
135 2W8Q SIN 0.005305 0.44338 3.76812
136 1YHM AHD 0.006072 0.42856 3.76812
137 1Z4V DAN 0.005149 0.41212 3.76812
138 1YOA FMN 0.001561 0.50648 3.77358
139 3JQM GTP 0.001797 0.44046 3.82166
140 1Y1A GSH 0.001802 0.51041 3.82514
141 3B8I OXL 0.002443 0.48485 3.83275
142 3U1T MLI 0.01069 0.42876 3.8835
143 1HQL GLA MBG 0.003396 0.45267 3.89105
144 1YFZ IMP 0.005981 0.42886 3.90244
145 2P69 PLP 0.004044 0.43646 3.92157
146 1B74 DGN 0.01092 0.43469 3.93701
147 4C2W ANP 0.02038 0.41984 3.94265
148 3S2Y FMN 0.002107 0.41039 4.0201
149 2IYG FMN 0.001391 0.43458 4.03226
150 1ZZ7 S0H 0.009648 0.41452 4.0404
151 3QV9 QV7 0.00486 0.43289 4.05797
152 4LIT AKG 0.02012 0.40521 4.05797
153 1YQT ADP 0.04173 0.40146 4.05797
154 4LFL TG6 0.01155 0.40225 4.06977
155 5D63 FUC GLA GLA 0.006075 0.4343 4.09556
156 3I7S PYR 0.006829 0.44487 4.10959
157 1Y9Q MED 0.00482 0.43896 4.16667
158 2VHJ ADP 0.002247 0.40567 4.22961
159 1Y75 NAG 0.01217 0.40559 4.23729
160 4B9E FAH 0.007522 0.4361 4.31894
161 2XI7 XI7 0.003294 0.48811 4.34783
162 1NF8 BOG 0.0068 0.4382 4.34783
163 3SHR CMP 0.002197 0.43161 4.34783
164 4DYO SD4 0.003761 0.42701 4.34783
165 4RJK PYR 0.02648 0.4154 4.34783
166 2Q09 DI6 0.01426 0.40268 4.34783
167 1C1L GAL BGC 0.01252 0.42546 4.37956
168 3WUD GLC GAL 0.03403 0.4099 4.41176
169 3VPQ GSH 0.0243 0.4015 4.41176
170 1ZUW DGL 0.01589 0.4007 4.41176
171 4JLV ADP 0.04532 0.41935 4.46097
172 3O03 GCO 0.005283 0.45812 4.46735
173 2VQ5 LDP 0.03682 0.41413 4.47761
174 1P72 THM 0.01851 0.40221 4.49102
175 2OWZ CIT 0.006985 0.43149 4.51807
176 2Q8M AMP 0.00751 0.40564 4.51807
177 3RKR NAP 0.002423 0.42988 4.58015
178 3EJ0 11X 0.01578 0.40755 4.59184
179 3D2Y AH0 ALA FGA LYS 0.001513 0.41548 4.5977
180 3MD0 GDP 0.001247 0.44711 4.63768
181 3DG6 MUC 0.001888 0.42467 4.63768
182 1RQH PYR 0.01386 0.42333 4.63768
183 3TXO 07U 0.006458 0.40415 4.63768
184 2GK6 ADP 0.03755 0.40411 4.63768
185 1NOW IFG 0.01815 0.40258 4.63768
186 3CEV ARG 0.008196 0.41281 4.68227
187 4PTZ FMN 0.00288 0.4094 4.71204
188 1QHH ATP 0.02299 0.40262 4.73373
189 4AF5 CIT 0.007633 0.42971 4.73684
190 4LO6 SIA GAL 0.02705 0.41204 4.73684
191 1JH7 UVC 0.01155 0.41605 4.7619
192 1OGZ EQU 0.002664 0.42343 4.8
193 1ZJ6 G3D 0.0004755 0.45297 4.81283
194 2AZ3 CDP 0.01638 0.40452 4.87805
195 3T2W BTN 0.006471 0.41252 4.91803
196 1T10 F6P 0.007196 0.42526 4.92754
197 1YBH P22 0.004781 0.41787 4.92754
198 2OFE NAG 0.007243 0.43076 4.92958
199 2OFD NGA 0.01247 0.41981 4.92958
200 1WTC ACP 0.005545 0.44246 4.95356
201 2WOR 2AN 0.01219 0.42028 5
202 1MXI SAH 0.001754 0.4132 5
203 2HFK E4H 0.01251 0.40962 5.01567
204 2IUW AKG 0.0141 0.40289 5.04202
205 1R5A GTS 0.00136 0.44552 5.04587
206 1QB7 ADE 0.008557 0.40757 5.08475
207 1II5 GLU 0.01542 0.41041 5.15021
208 1UF5 CDT 0.01088 0.40331 5.28053
209 3VPD CIT 0.00186 0.49125 5.33808
210 3VPD BUA 0.006317 0.47802 5.33808
211 2HW1 FRU 0.007908 0.42343 5.36913
212 2OZE AGS 0.003612 0.4021 5.36913
213 4JCA CIT 0.001856 0.4913 5.38922
214 1EYQ NAR 0.00389 0.4264 5.40541
215 1AUA BOG 0.01362 0.40802 5.40541
216 4WNB 4BN 0.00345 0.40655 5.42636
217 4FGC PQ0 0.008093 0.42298 5.45455
218 2FR6 URI 0.003284 0.40357 5.47945
219 2B7N NTM 0.007424 0.42465 5.49451
220 3P7I P7I 0.004833 0.42753 5.50725
221 2NVK NAP 0.005441 0.4253 5.50725
222 4LHM AZZ 0.01136 0.41637 5.50725
223 4M2K PLP 0.008691 0.41174 5.50725
224 2OG2 MLI 0.03824 0.40484 5.50725
225 3KYF 5GP 5GP 0.0001507 0.4789 5.62771
226 3LM9 ADP 0.00334 0.41955 5.62914
227 2VDJ HSE 0.01879 0.42289 5.64784
228 1LSS NAD 0.001836 0.40505 5.71429
229 1EJE FMN 0.0001834 0.44789 5.72917
230 2BO4 FLC 0.0146 0.42224 5.7971
231 3GTD MLI 0.02455 0.4013 5.7971
232 1NML CIT 0.005261 0.42594 5.82822
233 2WGC SIA GAL BGC 0.004077 0.48286 5.84795
234 1WGC SIA GAL BGC 0.02797 0.42735 5.84795
235 1T3D CYS 0.01239 0.42567 5.88235
236 1NXJ GLV 0.01002 0.40914 6.01093
237 1LYX PGA 0.007687 0.40124 6.04839
238 1G8S MET 0.002324 0.45361 6.08696
239 1FBL HTA 0.00872 0.40724 6.08696
240 3DZD ADP 0.01733 0.40167 6.08696
241 1NU4 MLA 0.03298 0.42342 6.18557
242 2JFV FLC 0.01325 0.41859 6.18557
243 3MAG 3MA 0.001535 0.49576 6.18893
244 3MAG SAH 0.003015 0.40126 6.18893
245 4F8L GAL 0.02142 0.44185 6.2069
246 3R6K FUC GAL GLA 0.01807 0.41777 6.22951
247 1Y7P RIP 0.0465 0.40302 6.27803
248 1JN2 SFP 0.001197 0.54507 6.32911
249 3BY8 MLT 0.03201 0.40574 6.33803
250 1CKN GTP 0.01109 0.40729 6.36364
251 1CKM GTP 0.01223 0.40549 6.36364
252 2HGS GSH 0.001883 0.42471 6.37681
253 4BHL ARG 0.0257 0.40065 6.37681
254 3MCT 3MC 0.001953 0.44455 6.39731
255 1TRD PGH 0.003511 0.41869 6.4
256 2Y7P SAL 0.005372 0.42554 6.42202
257 1NPL MAN MAN 0.0171 0.42494 6.42202
258 1JG0 UMP 0.02164 0.44509 6.43939
259 1B55 4IP 0.001626 0.42716 6.50888
260 2FH5 GTP 0.002869 0.40201 6.54206
261 2R00 OEG 0.003565 0.45166 6.54762
262 2XDQ MGX 0.0001869 0.53328 6.66667
263 3UBW 6SP 0.01317 0.43962 6.66667
264 3PLN U5P 0.006593 0.42169 6.66667
265 1MOQ GLP 0.003832 0.40119 6.66667
266 1GPJ CIT 0.002541 0.45182 6.68317
267 2FOI JPA 0.01063 0.40373 6.69145
268 3GD8 BOG 0.02317 0.41832 6.72646
269 1HFA PIO 0.0001045 0.6124 6.92042
270 3IHB TRS 0.00009486 0.60623 6.95652
271 3MBC NAP 0.0001523 0.53478 6.95652
272 4AMV F6R 0.001036 0.42998 6.95652
273 3IHB GLU 0.01155 0.42714 6.95652
274 3QDV A2G 0.0007644 0.50161 6.99301
275 3QDW A2G 0.0008436 0.4994 6.99301
276 3QDT A2G GAL 0.001648 0.47562 6.99301
277 3QDY A2G GAL 0.008497 0.44013 6.99301
278 3QDY CBS 0.01201 0.42632 6.99301
279 3QDW NDG 0.02826 0.40837 6.99301
280 3QDV NDG 0.03963 0.40122 6.99301
281 4M51 BEZ 0.009066 0.43873 7.02576
282 2ZSC BTN 0.001989 0.4238 7.0922
283 4A4Z ANP 0.01644 0.41365 7.24638
284 3WCS MAN NAG GAL 0.005206 0.41637 7.48031
285 2ZJ5 ADP 0.007158 0.42536 7.53623
286 1FMB HYB 0.002649 0.42353 7.69231
287 1ZGA SAH 0.001804 0.42542 7.82609
288 2Q8H TF4 0.03217 0.41722 7.82609
289 1ZGA HMK 0.007809 0.40496 7.82609
290 6FIV 3TL 0.006951 0.40292 7.9646
291 1VR0 3SL 0.006293 0.41763 8.09717
292 1KC7 PPR 0.000118 0.52253 8.11594
293 1N9L FMN 0.003772 0.40143 8.25688
294 3SBZ MLI 0.01498 0.4346 8.33333
295 2QLX RM4 0.03599 0.40326 8.33333
296 1I1Q TRP 0.0004764 0.46461 8.4058
297 1V7R CIT 0.0229 0.4321 8.60215
298 2VAR KDG 0.009856 0.40096 8.6262
299 1ULE GLA GAL NAG 0.003229 0.46108 8.66667
300 2PYU IMP 0.003159 0.44125 8.6758
301 1VBH PEP 0.002582 0.44517 8.69565
302 1SQ5 PAU 0.01111 0.41186 8.76623
303 1SQ5 ADP 0.00549 0.41102 8.76623
304 4G28 0W8 0.003073 0.43069 8.82353
305 2BOI MFU 0.008331 0.41728 8.84956
306 4COQ SAN 0.01128 0.42185 8.90688
307 3HZL 6PC 0.02657 0.42158 8.98551
308 4JEJ 1GP 0.005441 0.41117 9.01639
309 1S8F GDP 0.002663 0.41893 9.03955
310 1WRA PC 0.01084 0.42847 9.09091
311 1WHT BZS 0.003703 0.44426 9.15033
312 1VHT BA3 0.01934 0.40278 9.17431
313 1QO0 BMD 0.01604 0.41473 9.18367
314 4G4S LDZ 0.003653 0.40564 9.26829
315 3ZPG 5GP 0.004912 0.45976 9.27536
316 4F2Q QUS 0.007437 0.40179 9.30233
317 1JGS SAL 0.03081 0.4328 9.42029
318 2YD6 FLC 0.0009457 0.52525 9.43396
319 1UUY PPI 0.03272 0.41683 9.58084
320 3CH5 GDP 0.001397 0.4345 9.61539
321 1GVF PGH 0.005587 0.42481 9.79021
322 2J0W ASP 0.001328 0.47221 10.0223
323 3ZGE ASP 0.01051 0.43551 10.1449
324 4Q3F TLA 0.01223 0.42021 10.2564
325 1O68 KIV 0.002566 0.43943 10.7246
326 2V5E SCR 0.000908 0.50809 10.8911
327 2Q1A 2KT 0.01954 0.41073 10.9215
328 2QCX PF1 0.02104 0.40433 11.0266
329 1H16 PYR 0.02543 0.41628 11.3043
330 3UCJ AZM 0.007344 0.41481 11.4537
331 2Q37 3AL 0.007082 0.42557 11.6022
332 4F4S EFO 0.001037 0.45644 11.8421
333 2QFY AKG 0.00001603 0.49634 11.8841
334 1V5F FAD 0.01292 0.41734 11.8841
335 1V5F TPP 0.01292 0.41734 11.8841
336 2Y7G AAE 0.005389 0.40324 12.0567
337 3P3N AKG 0.01091 0.42252 12.1739
338 2WA4 069 0.009998 0.40071 12.1739
339 1LNX URI 0.005931 0.42368 12.3457
340 3R51 MMA 0.0006712 0.50454 12.5
341 1A59 CIT 0.04051 0.40075 12.7536
342 2Y6P CTP 0.0008835 0.44769 12.8205
343 1MQ0 BRD 0.006649 0.40367 12.8571
344 4NPT 017 0.001017 0.44521 13.1313
345 3LTW HLZ 0.0106 0.4231 13.9286
346 1QH9 LAC 0.01075 0.42282 14.2241
347 2QGI UDP 0.01716 0.40832 14.9194
348 4EXO PYR 0.007216 0.44368 15.0685
349 1T0S BML 0.01684 0.42527 15.1163
350 1SC3 MLI 0.02558 0.41615 15.1685
351 2O66 FLC 0.001475 0.45603 15.5556
352 2ZWS PLM 0.003678 0.48539 15.942
353 1PTR PRB 0.004405 0.44725 16
354 2BZ1 TAU 0.004964 0.47801 16.8367
355 1NME 159 0.009203 0.4456 17.1233
356 1W7J ADP BEF 0.003884 0.40467 17.8808
357 1Q3P GLU ALA GLN THR ARG LEU 0.005574 0.40269 19.2661
358 1H2K OGA 0.009771 0.42474 19.5122
359 4HCX NDP 0.00000003176 0.63656 20.5797
360 4HZO COA 0.0179 0.40284 21.6981
361 1A5V Y3 0.0184 0.40695 22.7848
362 1TUV VK3 0.008241 0.44809 25.4386
363 3IWD M2T 0.03367 0.41411 25.8065
364 1JAC AMG 0.00005643 0.57328 35
365 4CCO OGA 0.007435 0.41943 35
366 1UO4 PIH 0.0007838 0.51154 44.1176
367 1UO5 PIH 0.001844 0.50239 44.1176
368 1GRO ICT 0.0000001241 0.46869 44.3478
369 2D4V NAD 0.000000003608 0.63936 44.6377
370 1XKD NAP 0.00000002352 0.60124 48.6957
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