Receptor
PDB id Resolution Class Description Source Keywords
4AJS 1.8 Å EC: 1.1.1.42 3D STRUCTURE OF E. COLI ISOCITRATE DEHYDROGENASE K100M MUTAN COMPLEX WITH ISOCITRATE, MAGNESIUM(II), ADENOSINE 2',5'-BIPA ND RIBOSYLNICOTINAMIDE-5'-PHOSPHATE ESCHERICHIA COLI OXIDOREDUCTASE OXIDATIVE BETA-DECARBOXYLATION
Ref.: INDUCED FIT AND THE CATALYTIC MECHANISM OF ISOCITRA DEHYDROGENASE. BIOCHEMISTRY V. 51 7098 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A2P A:501;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
ICT A:502;
Valid;
none;
submit data
192.124 C6 H8 O7 C([C@...
MG A:503;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NMN A:504;
Valid;
none;
submit data
335.227 C11 H16 N2 O8 P c1cc(...
SO4 A:505;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GRO 2.5 Å EC: 1.1.1.42 REGULATORY AND CATALYTIC MECHANISMS IN ESCHERICHIA COLI ISOC DEHYDROGENASE: MULTIPLE ROLES FOR N115 ESCHERICHIA COLI OXIDOREDUCTASE NADP PHOSPHORYLATION GLYOXYLATE BYPASS OXIDOREDUCTASE (NAD(A)-CHOH(D))
Ref.: SECOND-SITE SUPPRESSION OF REGULATORY PHOSPHORYLATI ESCHERICHIA COLI ISOCITRATE DEHYDROGENASE. PROTEIN SCI. V. 5 287 1996
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1PB1 - ICT C6 H8 O7 C([C@@H]([....
2 5ICD - ICT C6 H8 O7 C([C@@H]([....
3 1P8F - ICT C6 H8 O7 C([C@@H]([....
4 4AJB - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
5 1CW4 - AKG C5 H6 O5 C(CC(=O)O)....
6 4AJC - AKG C5 H6 O5 C(CC(=O)O)....
7 4AJS - ICT C6 H8 O7 C([C@@H]([....
8 1BL5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 1GRP Ki = 0.189 mM ICT C6 H8 O7 C([C@@H]([....
10 9ICD Kd = 125 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 4AJ3 - ICT C6 H8 O7 C([C@@H]([....
12 4AJA - ICT C6 H8 O7 C([C@@H]([....
13 1AI3 Ki = 403 uM NDO C21 H27 N6 O18 P3 c1cc(c[n+]....
14 1ISO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 4BNP Ki = 96 uM ICT C6 H8 O7 C([C@@H]([....
16 1CW1 - ICT C6 H8 O7 C([C@@H]([....
17 1GRO Ki = 0.033 uM ICT C6 H8 O7 C([C@@H]([....
18 1IDE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
19 1HJ6 - IPM C7 H12 O5 CC(C)[C@@H....
20 1AI2 Ki = 2.7 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 8ICD - ICT C6 H8 O7 C([C@@H]([....
70% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1PB1 - ICT C6 H8 O7 C([C@@H]([....
2 5ICD - ICT C6 H8 O7 C([C@@H]([....
3 1P8F - ICT C6 H8 O7 C([C@@H]([....
4 4AJB - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
5 1CW4 - AKG C5 H6 O5 C(CC(=O)O)....
6 4AJC - AKG C5 H6 O5 C(CC(=O)O)....
7 4AJS - ICT C6 H8 O7 C([C@@H]([....
8 1BL5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 1GRP Ki = 0.189 mM ICT C6 H8 O7 C([C@@H]([....
10 9ICD Kd = 125 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 4AJ3 - ICT C6 H8 O7 C([C@@H]([....
12 4AJA - ICT C6 H8 O7 C([C@@H]([....
13 1AI3 Ki = 403 uM NDO C21 H27 N6 O18 P3 c1cc(c[n+]....
14 1ISO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 4BNP Ki = 96 uM ICT C6 H8 O7 C([C@@H]([....
16 1CW1 - ICT C6 H8 O7 C([C@@H]([....
17 1GRO Ki = 0.033 uM ICT C6 H8 O7 C([C@@H]([....
18 1IDE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
19 1HJ6 - IPM C7 H12 O5 CC(C)[C@@H....
20 1AI2 Ki = 2.7 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 8ICD - ICT C6 H8 O7 C([C@@H]([....
22 1HQS - CIT C6 H8 O7 C(C(=O)O)C....
23 2D4V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1PB1 - ICT C6 H8 O7 C([C@@H]([....
2 5ICD - ICT C6 H8 O7 C([C@@H]([....
3 1P8F - ICT C6 H8 O7 C([C@@H]([....
4 4AJB - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
5 1CW4 - AKG C5 H6 O5 C(CC(=O)O)....
6 4AJC - AKG C5 H6 O5 C(CC(=O)O)....
7 4AJS - ICT C6 H8 O7 C([C@@H]([....
8 1BL5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 1GRP Ki = 0.189 mM ICT C6 H8 O7 C([C@@H]([....
10 9ICD Kd = 125 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 4AJ3 - ICT C6 H8 O7 C([C@@H]([....
12 4AJA - ICT C6 H8 O7 C([C@@H]([....
13 1AI3 Ki = 403 uM NDO C21 H27 N6 O18 P3 c1cc(c[n+]....
14 1ISO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 4BNP Ki = 96 uM ICT C6 H8 O7 C([C@@H]([....
16 1CW1 - ICT C6 H8 O7 C([C@@H]([....
17 1GRO Ki = 0.033 uM ICT C6 H8 O7 C([C@@H]([....
18 1IDE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
19 1HJ6 - IPM C7 H12 O5 CC(C)[C@@H....
20 1AI2 Ki = 2.7 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 8ICD - ICT C6 H8 O7 C([C@@H]([....
22 1HQS - CIT C6 H8 O7 C(C(=O)O)C....
23 2D4V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 1XKD - ICT C6 H8 O7 C([C@@H]([....
25 1TYO - ENP C17 H24 N5 O17 P3 c1cn2cnc3c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A2P; Similar ligands found: 274
No: Ligand ECFP6 Tc MDL keys Tc
1 A2P 1 1
2 ATR 0.835616 0.985294
3 2AM 0.80597 0.956522
4 A2R 0.772152 0.943662
5 A22 0.7625 0.943662
6 25A 0.731707 0.957143
7 NA7 0.72619 0.917808
8 V3L 0.7 0.957143
9 AMP 0.684932 0.956522
10 A 0.684932 0.956522
11 A3P 0.684211 0.985294
12 OVE 0.675676 0.916667
13 7D5 0.643836 0.888889
14 3AM 0.626667 0.942029
15 25L 0.626374 0.943662
16 PO4 PO4 A A A A PO4 0.611111 0.942029
17 NPW 0.598039 0.848101
18 NDP 0.598039 0.881579
19 XNP 0.596154 0.858974
20 PAP 0.595238 0.971014
21 NZQ 0.592233 0.87013
22 TXP 0.592233 0.881579
23 ODP 0.586538 0.87013
24 NJP 0.586538 0.905405
25 A2D 0.575 0.929577
26 ABM 0.575 0.902778
27 PPS 0.574713 0.858974
28 ADP 0.573171 0.957143
29 SRA 0.56962 0.90411
30 AN2 0.566265 0.943662
31 2A5 0.564706 0.90411
32 AMP MG 0.5625 0.876712
33 BA3 0.560976 0.929577
34 A12 0.560976 0.917808
35 AP2 0.560976 0.917808
36 SAP 0.55814 0.905405
37 AGS 0.55814 0.905405
38 AP5 0.554217 0.929577
39 B4P 0.554217 0.929577
40 ATP 0.552941 0.957143
41 7D3 0.548781 0.890411
42 5FA 0.546512 0.957143
43 AQP 0.546512 0.957143
44 APC 0.546512 0.917808
45 RAB 0.541667 0.802817
46 XYA 0.541667 0.802817
47 ADN 0.541667 0.802817
48 7D4 0.541176 0.890411
49 AU1 0.541176 0.930556
50 ADX 0.541176 0.835443
51 CA0 0.541176 0.90411
52 M33 0.541176 0.916667
53 NAP 0.539823 0.930556
54 DG1 0.535088 0.881579
55 1DG 0.535088 0.881579
56 TAP 0.535088 0.893333
57 50T 0.534884 0.916667
58 ACP 0.534884 0.930556
59 NA0 0.530435 0.917808
60 PRX 0.528736 0.878378
61 APR 0.528736 0.929577
62 AR6 0.528736 0.929577
63 ACQ 0.52809 0.930556
64 TAT 0.52809 0.917808
65 DA 0.52439 0.915493
66 D5M 0.52439 0.915493
67 ADP MG 0.523256 0.890411
68 ADV 0.522727 0.891892
69 RBY 0.522727 0.891892
70 AD9 0.522727 0.930556
71 ADQ 0.521277 0.90411
72 ADP BEF 0.517241 0.866667
73 BEF ADP 0.517241 0.866667
74 SON 0.511628 0.917808
75 ANP 0.511111 0.930556
76 NMN AMP PO4 0.509091 0.855263
77 7D7 0.506849 0.75
78 ADP PO3 0.505618 0.928571
79 5AL 0.505495 0.916667
80 ATF 0.5 0.917808
81 ATP MG 0.5 0.890411
82 AV2 0.5 0.929577
83 CO7 0.495935 0.770115
84 AR6 AR6 0.495146 0.902778
85 ADP BMA 0.494845 0.878378
86 ENP 0.494845 0.878378
87 OAD 0.494845 0.90411
88 5SV 0.494737 0.833333
89 SRP 0.494624 0.891892
90 GAP 0.494505 0.878378
91 101 0.493976 0.888889
92 5N5 0.486842 0.777778
93 BIS 0.484848 0.893333
94 PTJ 0.484848 0.881579
95 00A 0.484536 0.868421
96 MAP 0.484211 0.905405
97 ALF ADP 0.483871 0.855263
98 ADP ALF 0.483871 0.855263
99 5AS 0.482759 0.764706
100 N01 0.482456 0.890411
101 A4D 0.480519 0.777778
102 5CD 0.480519 0.788732
103 OOB 0.479167 0.916667
104 8QN 0.479167 0.916667
105 ADP VO4 0.478723 0.916667
106 VO4 ADP 0.478723 0.916667
107 ANP MG 0.478723 0.88
108 3AT 0.478261 0.957143
109 DTA 0.475 0.77027
110 A A 0.474747 0.929577
111 AMO 0.474227 0.891892
112 4AD 0.474227 0.88
113 PAJ 0.474227 0.846154
114 A1R 0.474227 0.868421
115 AOC 0.470588 0.805556
116 A3G 0.470588 0.76
117 FYA 0.47 0.890411
118 1ZZ 0.47 0.825
119 3OD 0.47 0.90411
120 DLL 0.469388 0.916667
121 AHX 0.469388 0.857143
122 MTA 0.469136 0.756757
123 0WD 0.469027 0.881579
124 DAL AMP 0.46875 0.890411
125 UPA 0.46789 0.868421
126 DAT 0.466667 0.916667
127 5X8 0.466667 0.746667
128 2VA 0.466667 0.76
129 TM1 0.465347 0.802469
130 3UK 0.464646 0.90411
131 A A A 0.464646 0.890411
132 APU 0.463636 0.905405
133 EP4 0.4625 0.736842
134 DTP 0.462366 0.916667
135 9SN 0.460784 0.857143
136 WAQ 0.46 0.868421
137 PR8 0.46 0.835443
138 LAD 0.46 0.846154
139 6RE 0.458824 0.74359
140 3DH 0.457831 0.756757
141 M2T 0.45679 0.717949
142 ATP A A A 0.456311 0.915493
143 ME8 0.455446 0.825
144 NB8 0.455446 0.857143
145 TXA 0.455446 0.891892
146 JB6 0.455446 0.868421
147 GGZ 0.453608 0.833333
148 5AD 0.453333 0.753623
149 ANZ 0.45283 0.831169
150 G5A 0.451613 0.764706
151 VRT 0.451613 0.730769
152 SO8 0.451613 0.75
153 MYR AMP 0.45098 0.802469
154 PUA 0.449153 0.87013
155 Y3J 0.448718 0.732394
156 IMO 0.448276 0.914286
157 AS 0.448276 0.866667
158 103 0.447059 0.847222
159 ACK 0.447059 0.898551
160 QQY 0.447059 0.849315
161 OMR 0.445455 0.814815
162 A3S 0.444444 0.77027
163 3AD 0.443038 0.814286
164 FA5 0.442308 0.891892
165 YAP 0.442308 0.88
166 AFH 0.439252 0.846154
167 TSB 0.438776 0.783133
168 XAH 0.438095 0.825
169 TYR AMP 0.438095 0.866667
170 A U 0.4375 0.855263
171 A5A 0.4375 0.792683
172 DSH 0.436782 0.708861
173 NAX 0.436364 0.835443
174 NAI 0.436364 0.868421
175 QQX 0.435294 0.837838
176 A3T 0.434783 0.780822
177 4UV 0.433962 0.88
178 SSA 0.43299 0.764706
179 J7C 0.431818 0.753247
180 DDS 0.431579 0.888889
181 LAQ 0.431193 0.825
182 ZAS 0.430233 0.75
183 G3A 0.429907 0.881579
184 DCA 0.428571 0.788235
185 54H 0.428571 0.77381
186 VMS 0.428571 0.77381
187 ETB 0.428571 0.797619
188 AP0 0.428571 0.857143
189 CC5 0.428571 0.8
190 52H 0.428571 0.764706
191 48N 0.427273 0.857143
192 8BR 0.426966 0.891892
193 S4M 0.426966 0.651163
194 4UU 0.425926 0.88
195 7MD 0.425926 0.825
196 G5P 0.425926 0.881579
197 NVA 2AD 0.425532 0.75
198 3L1 0.425 0.756757
199 3D1 0.425 0.756757
200 53H 0.424242 0.764706
201 5CA 0.424242 0.764706
202 4UW 0.423423 0.846154
203 6V0 0.423423 0.857143
204 TXD 0.423423 0.868421
205 UP5 0.423423 0.88
206 PAX 0.422764 0.8375
207 MAO 0.422222 0.743902
208 71V 0.422222 0.868421
209 TAD 0.422018 0.846154
210 GTA 0.422018 0.848101
211 COA 0.421488 0.788235
212 0T1 0.421488 0.788235
213 SAH 0.421053 0.727273
214 AMP DBH 0.420561 0.853333
215 NEC 0.420455 0.72973
216 ALF ADP 3PG 0.419643 0.822785
217 TXE 0.419643 0.868421
218 TYM 0.419643 0.891892
219 LA8 ALF 3PG 0.419643 0.822785
220 SFG 0.419355 0.733333
221 NDO 0.418033 0.90411
222 P5A 0.417476 0.730337
223 139 0.417391 0.835443
224 4TC 0.415929 0.857143
225 LSS 0.415842 0.747126
226 NSS 0.415842 0.764706
227 DSZ 0.415842 0.764706
228 AAM 0.41573 0.956522
229 A3N 0.41573 0.746667
230 WMP 0.415254 0.876712
231 LPA AMP 0.414414 0.802469
232 YLP 0.414414 0.804878
233 ZZB 0.413793 0.802469
234 A7D 0.413043 0.76
235 NVA LMS 0.411765 0.747126
236 C2R 0.411765 0.863014
237 AMZ 0.411765 0.875
238 30N 0.41129 0.72043
239 AMX 0.41129 0.797619
240 COS 0.41129 0.770115
241 CAO 0.41129 0.761364
242 GJV 0.411111 0.734177
243 DND 0.410714 0.891892
244 NXX 0.410714 0.891892
245 128 0.410714 0.783133
246 SA8 0.410526 0.691358
247 A5D 0.410526 0.77027
248 PGS 0.408602 0.844156
249 2SA 0.408163 0.891892
250 CMX 0.408 0.788235
251 SCO 0.408 0.788235
252 LEU LMS 0.407767 0.747126
253 G A A A 0.40678 0.857143
254 6C6 0.40625 0.866667
255 SAI 0.40625 0.717949
256 CA6 0.40625 0.697917
257 ARG AMP 0.405405 0.814815
258 AHZ 0.405405 0.802469
259 12D 0.405405 0.792683
260 ADJ 0.405172 0.814815
261 FAM 0.404762 0.770115
262 FCX 0.404762 0.761364
263 ACO 0.404762 0.761364
264 S7M 0.40404 0.674699
265 KAA 0.403846 0.738636
266 GSU 0.403846 0.764706
267 YLC 0.403509 0.825
268 7MC 0.403509 0.804878
269 YLB 0.403509 0.804878
270 NIA 0.402299 0.807692
271 2GP 0.402174 0.891892
272 6IA 0.402062 0.822785
273 HAX 0.401575 0.770115
274 A4P 0.4 0.807229
Ligand no: 2; Ligand: ICT; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 ICT 1 1
2 LMR 0.444444 0.904762
3 DMR 0.444444 0.904762
4 MLT 0.444444 0.904762
5 3HG 0.423077 0.772727
6 TAR 0.416667 0.727273
7 TLA 0.416667 0.727273
8 SRT 0.416667 0.727273
9 3HR 0.407407 0.608696
10 3HL 0.407407 0.608696
Ligand no: 3; Ligand: NMN; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 NMN 1 1
2 NNR 0.693548 0.818182
3 NCN 0.647887 0.892308
4 8ID 0.524752 0.807692
5 NGD 0.514563 0.831169
6 NAD 0.509434 0.875
7 NHD 0.509434 0.875
8 NAJ 0.504762 0.875
9 NAD IBO 0.5 0.815789
10 NDO 0.491071 0.888889
11 NAP 0.486726 0.888889
12 NFD 0.486239 0.828947
13 NBP 0.465517 0.831169
14 NAJ PYZ 0.464912 0.797468
15 DND 0.461538 0.851351
16 NXX 0.461538 0.851351
17 A3D 0.421053 0.863014
18 N01 0.417391 0.849315
19 NA0 0.404959 0.876712
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GRO; Ligand: ICT; Similar sites found: 143
This union binding pocket(no: 1) in the query (biounit: 1gro.bio1) has 47 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4C6F NCD 0.01262 0.41933 1.27226
2 4C6F DOR 0.01262 0.41933 1.27226
3 1H0C AOA 0.02597 0.42791 1.53061
4 1F1V DHY 0.005839 0.43857 1.54799
5 1GJW GLC 0.001861 0.48616 1.68269
6 2IZ1 ATR 0.005333 0.45661 1.68269
7 4M51 BEZ 0.02821 0.43168 1.68269
8 1QZZ SAM 0.01006 0.41567 1.68269
9 1GJW MAL 0.02654 0.40518 1.68269
10 2C5S AMP 0.01537 0.41971 1.69492
11 1EB9 HBA 0.0132 0.41451 1.9084
12 2ZJ5 ADP 0.02165 0.42176 1.92308
13 3PLN U5P 0.01979 0.41904 1.92308
14 3A1I UNU 0.02351 0.40749 1.92308
15 3MD0 GDP 0.02075 0.41384 1.97183
16 4B9E FAH 0.03135 0.42371 1.99336
17 2JFV FLC 0.01021 0.44275 2.06186
18 3ZPG 5GP 0.01035 0.46185 2.09424
19 4KOA NDP 0.007794 0.41289 2.4024
20 3BHO B4P 0.02258 0.45037 2.40385
21 4C2C ALA ALA ALA 0.04513 0.41139 2.40385
22 3GTD MLI 0.008283 0.44168 2.48963
23 3S9K CIT 0.007993 0.4856 2.54237
24 3P3N AKG 0.003329 0.46666 2.5788
25 1SQ5 ADP 0.01231 0.41581 2.5974
26 1SQ5 PAU 0.0279 0.4121 2.5974
27 2YCD GTB 0.01367 0.41387 2.6087
28 4LHM AZZ 0.006551 0.44653 2.64423
29 1GU3 BGC BGC BGC BGC BGC 0.02704 0.41274 2.68456
30 2ZJF BSU 0.02656 0.40517 2.76243
31 3QDY CBS 0.01294 0.44339 2.7972
32 3QDW NDG 0.03427 0.42784 2.7972
33 1BTN I3P 0.006251 0.49545 2.83019
34 1EYE PMM 0.02405 0.40341 2.85714
35 2WCI GSH 0.008986 0.43999 2.96296
36 1CTU ZEB 0.01022 0.40828 3.06122
37 1O9U ADZ 0.01124 0.45987 3.14286
38 1YOA FMN 0.008071 0.48521 3.14465
39 1YOA FAD 0.004183 0.40981 3.14465
40 2YLD CMO 0.004484 0.46031 3.14961
41 2WMO GTP 0.005034 0.42807 3.15789
42 2Y7P SAL 0.01753 0.42148 3.21101
43 4JWX 1N4 0.03129 0.40978 3.21429
44 1W3R PYR 0.008013 0.4606 3.24074
45 4KCT PYR 0.004714 0.44273 3.36538
46 1WDA BAG 0.005007 0.44156 3.36538
47 2EB5 OXL 0.01973 0.42865 3.37079
48 4BHL ARG 0.02276 0.41768 3.37079
49 4E28 9MZ 0.004537 0.46006 3.38462
50 4E28 0MZ 0.006275 0.44742 3.38462
51 1MZV AMP 0.002561 0.44948 3.40426
52 2Q1A 2KT 0.009291 0.44477 3.41297
53 2QCX PF1 0.03428 0.41216 3.42205
54 3P7I P7I 0.01066 0.43148 3.42679
55 3MAG 3MA 0.02121 0.45194 3.58306
56 1V6A TRE 0.007469 0.44382 3.61446
57 4OWK NGA 0.0203 0.43905 3.62319
58 1Q11 TYE 0.01555 0.42389 3.76344
59 3I0O ADP 0.00208 0.45341 3.83481
60 3I0O SMI 0.01369 0.43128 3.83481
61 1Z44 NPO 0.00797 0.48553 3.84615
62 2O2C G6Q 0.01778 0.40203 3.84615
63 1SS4 GSH 0.00387 0.50789 3.92157
64 1SS4 CIT 0.02025 0.48906 3.92157
65 4M5P MLA 0.000299 0.55733 3.9312
66 4WVH ASP HIS ASP ALA HIS ALA 0.001037 0.47213 3.93996
67 1KTC NGA 0.008331 0.43643 3.95062
68 3QV9 QV7 0.005488 0.45018 4.08654
69 3O2K QRP 0.01812 0.41246 4.08654
70 3TKA CTN 0.003134 0.51388 4.32277
71 3TKA SAM 0.00596 0.4074 4.32277
72 2NCD ADP 0.01525 0.42904 4.32692
73 2F2U M77 0.02247 0.40836 4.47761
74 5A2J ALA PRO ASP THR ARG PRO 0.02963 0.43354 4.5082
75 2Z9V PXM 0.01193 0.42922 4.59184
76 1PEA ACM 0.00949 0.45673 4.67532
77 2ZWS PLM 0.0004816 0.55801 4.80769
78 4RJK PYR 0.005933 0.49317 4.80769
79 2IYG FMN 0.0162 0.41074 4.83871
80 2FOI JPA 0.01011 0.42353 5
81 2XG5 EC5 0.02678 0.42541 5.04587
82 2XDQ MGX 0.04196 0.42831 5.04808
83 3DER ALA LYS 0.007625 0.40349 5.21739
84 1WGC SIA GAL BGC 0.007471 0.47785 5.26316
85 2NVK NAP 0.004471 0.4489 5.28846
86 1RZM E4P 0.02861 0.42576 5.32544
87 1RZM PEP 0.01664 0.42253 5.32544
88 1KYQ NAD 0.008347 0.40835 5.47445
89 1ECM TSA 0.03385 0.40423 5.50459
90 1N9L FMN 0.01291 0.40109 5.50459
91 2PP3 LGT 0.02025 0.40308 5.52764
92 4K30 NLG 0.03044 0.41034 5.625
93 2OFE NAG 0.009758 0.44372 5.6338
94 2Z4T C5P 0.0448 0.40865 5.76923
95 1Y75 NAG 0.01118 0.42593 5.9322
96 1A5Z OXM 0.01035 0.45474 5.95611
97 2Y6P CTP 0.01019 0.42337 5.98291
98 2PR5 FMN 0.005849 0.41426 6.06061
99 1LNX URI 0.02036 0.41847 6.17284
100 2WGC SIA GAL BGC 0.008709 0.48324 6.43275
101 4COQ SAN 0.004561 0.45995 6.47773
102 1G8S MET 0.00793 0.44815 6.52174
103 2FEQ 34P 0.009842 0.40892 6.56371
104 1Y9Q MED 0.0329 0.41763 6.77083
105 4DYO SD4 0.03556 0.40326 6.97115
106 2Z1U ATP 0.01451 0.40559 7.28863
107 1XE7 GUN 0.007755 0.4687 7.38916
108 2Y7G AAE 0.009679 0.41268 7.44681
109 3F81 STT 0.006502 0.47289 7.65027
110 2ZQO NGA 0.04147 0.42438 7.69231
111 3R51 MMA 0.008566 0.46634 8.125
112 4PPU TYR 0.03735 0.40618 8.27338
113 2UXR ICT 0.005345 0.46761 8.45771
114 2O66 FLC 0.002919 0.46321 8.88889
115 2V5E SCR 0.0003881 0.55089 9
116 1W7J ADP BEF 0.01227 0.40515 9.27152
117 2JBH 5GP 0.006964 0.43515 9.33333
118 1C1L GAL BGC 0.01274 0.44372 9.48905
119 3JQ3 ADP 0.01138 0.42129 9.56284
120 1ZJ6 G3D 0.01573 0.41128 9.62567
121 3QXG TLA 0.00223 0.42653 9.87654
122 3RF4 FUN 0.0177 0.42129 10.3448
123 3LTW HLZ 0.003515 0.4655 10.3571
124 1T0S BML 0.009441 0.45685 10.5769
125 2B7N NTM 0.02035 0.42304 10.6227
126 3SHR CMP 0.01295 0.41884 10.7023
127 1QO0 BMD 0.01864 0.42986 11.7347
128 1ULE GLA GAL NAG 0.03194 0.42881 12
129 4OB6 S2T 0.01063 0.41105 12.61
130 1VE3 SAM 0.01271 0.40134 13.2159
131 4L1F COS 0.001829 0.41926 15.1436
132 2E1A MSE 0.00403 0.44578 16
133 3CF6 SP1 0.007963 0.4161 17.9641
134 1ZZ7 S0H 0.04177 0.4039 18.1818
135 3BY8 MLT 0.009341 0.45059 19.0141
136 1TUV VK3 0.02373 0.44202 20.1754
137 1QD0 RR6 0.02037 0.40649 21.875
138 3UEC ALA ARG TPO LYS 0.003876 0.47 25.3425
139 4CCO OGA 0.006202 0.44235 30
140 4F4S EFO 0.01636 0.42288 30.2632
141 1A05 IPM 0.0001017 0.56737 42.7374
142 5J32 IPM 0.03739 0.44692 42.928
143 1HEX NAD 0.0000001241 0.46869 44.3478
144 1UO5 PIH 0.005817 0.49368 50
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