Receptor
PDB id Resolution Class Description Source Keywords
5IDM 1.9 Å EC: 2.-.-.- BIFUNCTIONAL HISTIDINE KINASE CCKA (DOMAIN, CA) IN COMPLEX W GMP AND AMPPNP/MG2+ CAULOBACTER VIBRIOIDES BIFUNCTIONAL HISTIDINE KINASE PHOSPHATASE TRANSFERASE
Ref.: CYCLIC DI-GMP MEDIATES A HISTIDINE KINASE/PHOSPHATA BY NONCOVALENT DOMAIN CROSS-LINKING. SCI ADV V. 2 00823 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:602;
B:601;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
ANP A:601;
B:600;
Valid;
Valid;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
C2E A:603;
Valid;
none;
submit data
690.411 C20 H24 N10 O14 P2 c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IDM 1.9 Å EC: 2.-.-.- BIFUNCTIONAL HISTIDINE KINASE CCKA (DOMAIN, CA) IN COMPLEX W GMP AND AMPPNP/MG2+ CAULOBACTER VIBRIOIDES BIFUNCTIONAL HISTIDINE KINASE PHOSPHATASE TRANSFERASE
Ref.: CYCLIC DI-GMP MEDIATES A HISTIDINE KINASE/PHOSPHATA BY NONCOVALENT DOMAIN CROSS-LINKING. SCI ADV V. 2 00823 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 5IDM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 5IDM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 5IDM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ANP; Similar ligands found: 358
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 ADP 0.802632 0.972222
5 AP5 0.802632 0.945205
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 ATP 0.772152 0.972222
9 AN2 0.769231 0.986111
10 AQP 0.7625 0.972222
11 5FA 0.7625 0.972222
12 M33 0.759494 0.932432
13 MAP 0.752941 0.972973
14 ACP 0.75 0.945946
15 APR 0.740741 0.945205
16 AR6 0.740741 0.945205
17 ACQ 0.73494 0.945946
18 AD9 0.731707 0.945946
19 SAP 0.731707 0.921053
20 AGS 0.731707 0.921053
21 AMP 0.723684 0.944444
22 A 0.723684 0.944444
23 ATF 0.717647 0.933333
24 ADX 0.716049 0.851852
25 CA0 0.716049 0.92
26 50T 0.707317 0.932432
27 PRX 0.698795 0.87013
28 ABM 0.696203 0.893333
29 AMP MG 0.683544 0.868421
30 AP2 0.679012 0.933333
31 A12 0.679012 0.933333
32 APC 0.678571 0.933333
33 TAT 0.674419 0.933333
34 A22 0.674157 0.958904
35 SRA 0.670886 0.894737
36 SRP 0.670455 0.883117
37 5AL 0.666667 0.906667
38 ADQ 0.659341 0.92
39 A1R 0.659341 0.884615
40 ADP MG 0.654762 0.881579
41 3OD 0.648936 0.92
42 BIS 0.648936 0.909091
43 5SV 0.648352 0.82716
44 BEF ADP 0.647059 0.858974
45 ADP BEF 0.647059 0.858974
46 OAD 0.645161 0.92
47 25L 0.642105 0.958904
48 AMO 0.641304 0.907895
49 G5P 0.636364 0.897436
50 DLL 0.634409 0.906667
51 AHX 0.634409 0.897436
52 00A 0.634409 0.860759
53 ANP MG 0.633333 0.921053
54 ADV 0.632184 0.907895
55 ADP PO3 0.632184 0.917808
56 RBY 0.632184 0.907895
57 NB8 0.631579 0.897436
58 25A 0.630435 0.945205
59 8QN 0.630435 0.906667
60 OOB 0.630435 0.906667
61 G3A 0.626263 0.897436
62 ATP MG 0.625 0.881579
63 4AD 0.623656 0.896104
64 PAJ 0.623656 0.8625
65 LAD 0.621053 0.839506
66 1ZZ 0.614583 0.819277
67 TXA 0.614583 0.907895
68 ME8 0.614583 0.819277
69 GTA 0.613861 0.864198
70 3UK 0.610526 0.894737
71 SON 0.604651 0.907895
72 ADP ALF 0.604396 0.848101
73 ALF ADP 0.604396 0.848101
74 WAQ 0.604167 0.860759
75 PR8 0.604167 0.829268
76 4UV 0.6 0.871795
77 GAP 0.6 0.87013
78 FYA 0.597938 0.881579
79 PTJ 0.597938 0.873418
80 ADP VO4 0.597826 0.906667
81 VO4 ADP 0.597826 0.906667
82 UP5 0.596154 0.896104
83 YAP 0.59596 0.871795
84 FA5 0.59596 0.883117
85 PAP 0.595506 0.958333
86 A4P 0.59434 0.823529
87 XAH 0.59 0.841463
88 4UU 0.588235 0.871795
89 AFH 0.588235 0.8625
90 9SN 0.585859 0.85
91 2A5 0.58427 0.894737
92 T5A 0.583333 0.821429
93 NAI 0.580952 0.884615
94 ITT 0.579545 0.917808
95 ATR 0.577778 0.944444
96 OMR 0.575472 0.831325
97 5AS 0.574713 0.781609
98 YLP 0.571429 0.8
99 48N 0.571429 0.873418
100 AP0 0.570093 0.873418
101 4TC 0.570093 0.873418
102 7D3 0.569767 0.881579
103 ADJ 0.568807 0.831325
104 GNP 0.568421 0.922078
105 DAL AMP 0.568421 0.881579
106 NXX 0.566038 0.907895
107 TXD 0.566038 0.884615
108 NAX 0.566038 0.851852
109 4UW 0.566038 0.839506
110 6V0 0.566038 0.873418
111 DND 0.566038 0.907895
112 XYA 0.565789 0.821918
113 ADN 0.565789 0.821918
114 RAB 0.565789 0.821918
115 AOC 0.564706 0.8
116 7D4 0.561798 0.881579
117 ADP BMA 0.561224 0.894737
118 TXE 0.560748 0.884615
119 TYM 0.560748 0.883117
120 YLB 0.555556 0.8
121 YLC 0.555556 0.819277
122 139 0.554545 0.851852
123 5N5 0.551282 0.797297
124 JB6 0.55 0.860759
125 LAQ 0.54717 0.819277
126 MYR AMP 0.544554 0.797619
127 A4D 0.544304 0.797297
128 5CD 0.544304 0.783784
129 7MD 0.542857 0.864198
130 6AD 0.542553 0.886076
131 A2R 0.541667 0.958904
132 UPA 0.541284 0.884615
133 YLA 0.540541 0.8
134 A A 0.54 0.918919
135 COD 0.539823 0.793103
136 BTX 0.539823 0.821429
137 G5A 0.537634 0.781609
138 CNA 0.535714 0.907895
139 AYB 0.535714 0.790698
140 3DH 0.535714 0.753247
141 BT5 0.535088 0.811765
142 ATP A A A 0.533981 0.905405
143 IOT 0.531532 0.811765
144 MTA 0.53012 0.753247
145 3AM 0.529412 0.90411
146 A3P 0.52809 0.944444
147 NAD 0.526316 0.906667
148 PPS 0.526316 0.851852
149 EP4 0.52439 0.734177
150 7D5 0.52381 0.855263
151 AMP DBH 0.52381 0.87013
152 J7C 0.522727 0.75
153 A5A 0.520833 0.809524
154 EAD 0.520661 0.851852
155 TSB 0.520408 0.821429
156 AHZ 0.518519 0.797619
157 M2T 0.518072 0.716049
158 DTA 0.518072 0.766234
159 A3D 0.517241 0.894737
160 6RE 0.517241 0.740741
161 YLY 0.516949 0.790698
162 SSA 0.515464 0.802326
163 NA7 0.514852 0.933333
164 TYR AMP 0.514286 0.858974
165 AR6 AR6 0.514019 0.893333
166 7MC 0.513514 0.843373
167 A2P 0.511111 0.930556
168 52H 0.510204 0.781609
169 VMS 0.510204 0.790698
170 54H 0.510204 0.790698
171 TAD 0.509259 0.8625
172 NAQ 0.508333 0.85
173 A3N 0.505618 0.766234
174 AV2 0.505155 0.893333
175 5CA 0.50505 0.802326
176 53H 0.50505 0.781609
177 ARU 0.504951 0.839506
178 ARG AMP 0.504587 0.809524
179 ZID 0.504132 0.894737
180 P1H 0.504 0.831325
181 3AT 0.5 0.945205
182 NAE 0.5 0.871795
183 AVV 0.5 0.873418
184 P5A 0.495146 0.747253
185 DSZ 0.49505 0.802326
186 LSS 0.49505 0.764045
187 NSS 0.49505 0.802326
188 N0B 0.491803 0.8
189 AF3 ADP 3PG 0.491071 0.817073
190 LA8 ALF 3PG 0.491071 0.817073
191 ALF ADP 3PG 0.491071 0.817073
192 NVA LMS 0.490196 0.764045
193 DAT 0.489362 0.881579
194 IMO 0.488889 0.90411
195 ZAS 0.488636 0.792208
196 FDA 0.488372 0.813953
197 NAJ PZO 0.487395 0.85
198 4TA 0.487179 0.788235
199 LPA AMP 0.486486 0.797619
200 LEU LMS 0.485437 0.764045
201 DTP 0.484536 0.881579
202 V3L 0.484536 0.945205
203 GJV 0.483516 0.731707
204 S4M 0.483516 0.651685
205 DZD 0.483051 0.8625
206 2AM 0.482759 0.917808
207 5AD 0.481013 0.726027
208 KAA 0.480769 0.755556
209 GSU 0.480769 0.781609
210 NDE 0.480315 0.907895
211 M24 0.479339 0.851852
212 MAO 0.478261 0.761905
213 DSH 0.477778 0.707317
214 NEC 0.477778 0.727273
215 FAD 0.477273 0.831325
216 FAS 0.477273 0.831325
217 RGT 0.476636 0.933333
218 0WD 0.474576 0.897436
219 G A A A 0.474576 0.85
220 FNK 0.474074 0.786517
221 5X8 0.473684 0.74359
222 6FA 0.473282 0.821429
223 FB0 0.472868 0.786517
224 NDC 0.472868 0.85
225 YSA 0.472222 0.781609
226 7DD 0.468085 0.958333
227 OVE 0.466667 0.881579
228 NAD IBO 0.466102 0.848101
229 MHZ 0.463158 0.701149
230 A3G 0.461538 0.779221
231 6C6 0.459184 0.858974
232 U A G G 0.458333 0.860759
233 SFG 0.458333 0.730769
234 7D7 0.45679 0.723684
235 128 0.45614 0.8
236 SFD 0.455224 0.736842
237 DDS 0.454545 0.855263
238 GDP 0.454545 0.896104
239 6IA 0.454545 0.817073
240 NJP 0.453782 0.921053
241 ODP 0.453782 0.886076
242 7DT 0.453608 0.958333
243 A7D 0.452632 0.75641
244 Z5A 0.452381 0.802326
245 WSA 0.452174 0.790698
246 7C5 0.45045 0.797468
247 FAY 0.449275 0.841463
248 NDP 0.449153 0.897436
249 A5D 0.44898 0.766234
250 SA8 0.44898 0.690476
251 NAJ PYZ 0.448 0.851852
252 71V 0.446809 0.884615
253 GGZ 0.446602 0.804878
254 RFL 0.446043 0.802326
255 2SA 0.445545 0.907895
256 AMP NAD 0.444444 0.858974
257 GP3 0.444444 0.897436
258 SAI 0.444444 0.716049
259 SAH 0.444444 0.725
260 A A A 0.443396 0.881579
261 PO4 PO4 A A A A PO4 0.443396 0.878378
262 4YB 0.442478 0.764045
263 GTP 0.441176 0.896104
264 SMM 0.441176 0.670455
265 S7M 0.441176 0.674419
266 Y3J 0.440476 0.706667
267 SAM 0.44 0.674419
268 649 0.439655 0.747253
269 12D 0.438596 0.809524
270 A3S 0.4375 0.789474
271 NPW 0.436975 0.864198
272 GCP 0.436893 0.873418
273 AAT 0.435644 0.690476
274 EEM 0.435644 0.674419
275 GNH 0.435644 0.909091
276 DCA 0.435484 0.804598
277 ETB 0.435484 0.813953
278 N6P 0.433962 0.890411
279 TXP 0.433333 0.897436
280 NZQ 0.433333 0.886076
281 PGS 0.43299 0.860759
282 APU 0.432203 0.871795
283 PUA 0.432 0.8625
284 62F 0.431655 0.841463
285 F2N 0.431507 0.795455
286 DA 0.430108 0.855263
287 D5M 0.430108 0.855263
288 J7V 0.429688 0.813953
289 NIA 0.428571 0.848101
290 6K6 0.428571 0.905405
291 A3T 0.428571 0.8
292 0T1 0.428571 0.804598
293 COA 0.428571 0.804598
294 P5F 0.427586 0.804598
295 AAM 0.425532 0.944444
296 0UM 0.424528 0.682353
297 G1R 0.423077 0.884615
298 AMZ 0.422222 0.891892
299 C2R 0.422222 0.88
300 A U 0.420168 0.848101
301 IDP 0.42 0.894737
302 GSP 0.419048 0.851852
303 COS 0.418605 0.786517
304 CAO 0.418605 0.777778
305 AMX 0.418605 0.813953
306 30N 0.418605 0.736842
307 DG1 0.418605 0.897436
308 1DG 0.418605 0.897436
309 TM1 0.418182 0.797619
310 A6D 0.416667 0.746988
311 K15 0.416667 0.666667
312 V1N 0.415929 0.893333
313 SCO 0.415385 0.804598
314 CMX 0.415385 0.804598
315 GEK 0.415094 0.719512
316 NHD 0.414634 0.881579
317 XNP 0.414634 0.851852
318 AIR 0.413793 0.876712
319 COK 0.413534 0.786517
320 G2R 0.412844 0.8625
321 FCX 0.412214 0.777778
322 FAM 0.412214 0.786517
323 ACO 0.412214 0.777778
324 NAP 0.410853 0.92
325 CNV FAD 0.409722 0.775281
326 FA9 0.409396 0.843373
327 SXZ 0.409091 0.694118
328 HAX 0.409091 0.806818
329 PLP AAD 0.408 0.744444
330 TAP 0.407692 0.884615
331 2MC 0.407407 0.752688
332 62X 0.407407 0.651685
333 GKE 0.40708 0.8625
334 GDD 0.40708 0.8625
335 GDC 0.40708 0.8625
336 FYN 0.406015 0.804598
337 3KK 0.406015 0.786517
338 U G A 0.405797 0.819277
339 NA0 0.40458 0.907895
340 101 0.404255 0.855263
341 G 0.40404 0.883117
342 5GP 0.40404 0.883117
343 MGP 0.403846 0.8625
344 MCD 0.402985 0.786517
345 OXK 0.402985 0.786517
346 CA6 0.402985 0.714286
347 SOP 0.402985 0.786517
348 3AD 0.402299 0.783784
349 S8M 0.401869 0.78481
350 YE1 0.40146 0.795455
351 1VU 0.4 0.777778
352 2VA 0.4 0.779221
353 CMC 0.4 0.786517
354 7RP 0.4 0.902778
355 GMV 0.4 0.873418
356 6G0 0.4 0.8625
357 CO6 0.4 0.786517
358 NMX 0.4 0.782609
Ligand no: 2; Ligand: C2E; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 PCG 1 0.986111
2 35G 1 0.986111
3 C2E 1 1
4 4BW 0.806818 1
5 1YD 0.806818 1
6 5GP 5GP 0.743902 0.958904
7 4UR 0.731959 1
8 6SW 0.627907 0.944444
9 1YC 0.616162 0.972222
10 6J7 0.58427 0.934211
11 2BA 0.534091 0.916667
12 CMP 0.534091 0.902778
13 GMP 0.53012 0.828947
14 1SY 0.495575 1
15 SGP 0.483871 0.825
16 6SZ 0.483871 0.916667
17 3GP 0.478261 0.92
18 1OR 0.474747 0.741176
19 5GP 0.468085 0.933333
20 G 0.468085 0.933333
21 7CH 0.467391 0.888889
22 6SX 0.462366 0.861111
23 6JR 0.457944 0.944444
24 G2R 0.457143 0.886076
25 GPX 0.451923 0.894737
26 GP3 0.44898 0.947368
27 2GP 0.446809 0.907895
28 GDP BEF 0.445545 0.851852
29 GDP 0.444444 0.921053
30 GP2 0.444444 0.886076
31 GNH 0.44 0.909091
32 P2G 0.4375 0.881579
33 G2P 0.436893 0.886076
34 GDP MG 0.435644 0.873418
35 ALF 5GP 0.431373 0.841463
36 GTP 0.431373 0.921053
37 GMV 0.431373 0.897436
38 G1R 0.427184 0.909091
39 GCP 0.427184 0.897436
40 GNP 0.423077 0.897436
41 GSP 0.423077 0.875
42 G3D 0.423077 0.933333
43 GDP AF3 0.420561 0.841463
44 BEF GDP 0.419048 0.841463
45 GTP MG 0.419048 0.873418
46 GCP G 0.415094 0.884615
47 G4P 0.415094 0.933333
48 GAV 0.415094 0.886076
49 P1G 0.414141 0.87013
50 Y9Z 0.410714 0.833333
51 G G 0.409091 0.934211
52 GDP ALF 0.407407 0.841463
53 N6R 0.40708 0.831169
54 N6S 0.40708 0.831169
55 G3A 0.403509 0.947368
56 YGP 0.401786 0.876543
57 G5P 0.4 0.947368
58 0O2 0.4 0.933333
59 GPG 0.4 0.935065
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5IDM; Ligand: ANP; Similar sites found: 75
This union binding pocket(no: 1) in the query (biounit: 5idm.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC 0.0163 0.41661 None
2 2BOS GLA GAL GLC NBU 0.01716 0.41515 None
3 4L8F MTX 0.01077 0.42361 1.11732
4 1L7N AF3 0.008843 0.42947 2.23464
5 4XFR CIT 0.006087 0.43246 2.7933
6 1BGQ RDC 0.02099 0.41917 2.7933
7 2AJH MET 0.0163 0.41562 2.7933
8 2AWN ADP 0.01449 0.40101 2.7933
9 3NMQ 7PP 0.00023 0.47681 3.35196
10 3EHH ADP 0.00866 0.41741 3.35196
11 1YC4 43P 0.000006727 0.55416 3.91061
12 4EMV 0R9 0.0001628 0.4639 3.91061
13 5GVR LMR 0.01158 0.42026 3.91061
14 1JXZ BCA 0.01228 0.40533 3.91061
15 1NZY BCA 0.01414 0.40251 3.91061
16 2JHP GUN 0.008972 0.43278 4.46927
17 3H4L ANP 0.00000003482 0.5909 5.02793
18 3K60 ADP 0.000003953 0.59087 5.02793
19 4B7P 9UN 0.00000732 0.57803 5.02793
20 4XCL AGS 0.0000002862 0.56673 5.02793
21 1KZN CBN 0.00001969 0.50246 5.02793
22 4ZVI 4S4 0.00009492 0.47408 5.02793
23 3K7S R52 0.01004 0.40988 5.02793
24 2PS1 ORO 0.01855 0.40104 5.02793
25 1GKZ ADP 0.000000000004565 0.80653 5.58659
26 1ZXM ANP 0.000000003635 0.56901 5.58659
27 5O4J SAH 0.007216 0.42346 5.58659
28 5O4J 9KH 0.007216 0.42346 5.58659
29 5O4J PJL 0.008124 0.41989 5.58659
30 4FHT DHB 0.01219 0.41773 5.73248
31 1MAI I3P 0.0133 0.41981 6.10687
32 1S16 ANP 0.0000001277 0.55065 6.14525
33 1S14 NOV 0.00004565 0.53724 6.14525
34 4HZ0 1AV 0.00009648 0.53038 6.14525
35 1KIJ NOV 0.0001653 0.45519 6.14525
36 1QZR ANP 0.000000001799 0.71231 6.70391
37 1QZR CDX 0.00000003549 0.71231 6.70391
38 5F5R ANP 0.0000003963 0.63075 6.70391
39 4HY1 19X 0.00002704 0.52594 6.70391
40 4GGL CJC 0.0001411 0.4865 6.70391
41 4WEI GLC GAL 0.03387 0.40156 7.26257
42 4BAE RWX 0.0000281 0.47361 7.82123
43 4B6C B5U 0.001961 0.41867 7.82123
44 5V3D FCN 0.01298 0.41722 8.27586
45 5Y3N 8MF 0.0002221 0.48925 8.37989
46 5AHO TLA 0.01128 0.4283 8.37989
47 4P8O 883 0.0001112 0.51045 8.93855
48 3TTZ 07N 0.0004061 0.43475 8.93855
49 4IPE ANP 0.000000007222 0.58271 9.49721
50 4URN NOV 0.00004811 0.53609 9.49721
51 4URL XAM 0.00002103 0.45351 9.49721
52 4WGF HX2 0.002654 0.45609 10.0559
53 4IF4 BEF 0.01197 0.41249 10.0559
54 2O1V ADP 0.0000001378 0.56178 10.6145
55 1QY8 RDI 0.000009237 0.53367 10.6145
56 2GFD RDA 0.000004368 0.49318 10.6145
57 1OYF MHN 0.01531 0.40864 10.7438
58 3EHG ATP 0.0008689 0.45552 11.7188
59 2CB8 MYA 0.02258 0.40187 12.6437
60 3GGU 017 0.01538 0.40083 14.1414
61 1Y8O ADP 0.00006732 0.40276 15.6425
62 3IT7 TLA 0.02534 0.40714 16.7598
63 1ID0 ANP 0.000004661 0.56161 17.1053
64 2HKJ RDC 0.0000005963 0.48336 17.3184
65 2OG2 MLI 0.01628 0.41892 18.4358
66 1TID ATP 0.000000008874 0.65868 20.5882
67 2ZKJ ADP 0.00000000004737 0.81591 20.6704
68 2XCM ADP 0.0000004928 0.59857 21.6216
69 1I58 ADP 0.001116 0.44552 24.581
70 1I58 ACP 0.0002322 0.44366 24.581
71 2IOR ADP 0.0000003557 0.64366 25.1397
72 4BIX ADP 0.000003945 0.49754 29.0503
73 3D36 ADP 0.00000000003314 0.74383 36.3129
74 4PL9 ADP 0.000002809 0.57188 36.612
75 4GCZ ADP 0.0000000001862 0.73181 43.0168
Pocket No.: 2; Query (leader) PDB : 5IDM; Ligand: C2E; Similar sites found: 1
This union binding pocket(no: 2) in the query (biounit: 5idm.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3M6P BB2 0.004361 0.4816 12.8492
Pocket No.: 3; Query (leader) PDB : 5IDM; Ligand: ANP; Similar sites found: 13
This union binding pocket(no: 3) in the query (biounit: 5idm.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PKA BEN 0.02294 0.4063 1.31579
2 1L7N ALF 0.01086 0.42831 2.23464
3 4X1Z FUC GAL NDG 0.02995 0.40987 3.91061
4 3LN9 FLC 0.004714 0.44314 4.31655
5 2DT9 THR 0.02039 0.40257 4.46927
6 4V03 ADP 0.01216 0.40179 5.02793
7 1PS9 FAD 0.01791 0.40578 6.14525
8 5XQL C2E 0.02418 0.41069 6.70391
9 2FZW NAD 0.02264 0.40278 7.82123
10 4IV9 TSR 0.02245 0.40648 8.37989
11 3I6B KDO 0.02419 0.40299 10.0559
12 3OQJ 3CX 0.02715 0.4004 11.284
13 2J5V PCA 0.0009566 0.4718 14.5251
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