Receptor
PDB id Resolution Class Description Source Keywords
1AI3 1.9 Å EC: 1.1.1.42 ORBITAL STEERING IN THE CATALYTIC POWER OF ENZYMES: SMALL ST CHANGES WITH LARGE CATALYTIC CONSEQUENCES ESCHERICHIA COLI OXIDOREDUCTASE (NAD(A)-CHOH(D)) NADP PHOSPHORYLATION GLYOBYPASS OXIDOREDUCTASE
Ref.: ORBITAL STEERING IN THE CATALYTIC POWER OF ENZYMES: STRUCTURAL CHANGES WITH LARGE CATALYTIC CONSEQUENCE SCIENCE V. 277 202 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ICT A:418;
 Valid;
 none;
 submit data
192.124 C6 H8 O7 C([C@...
MG A:419;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
NDO A:417;
 Valid;
 none;
 Ki = 403 uM
744.39 C21 H27 N6 O18 P3 c1cc(...
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 (2D)
Ligand no: 1; Ligand: ICT; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 ICT 1 1
2 LMR 0.444444 0.904762
3 MLT 0.444444 0.904762
4 3HG 0.423077 0.772727
5 SRT 0.416667 0.727273
6 TAR 0.416667 0.727273
7 TLA 0.416667 0.727273
8 3HL 0.407407 0.608696
9 3HR 0.407407 0.608696
Ligand no: 2; Ligand: NDO; Similar ligands found: 46
No: Ligand ECFP6 Tc MDL keys Tc
1 NDO 1 1
2 NAP 0.840336 0.972603
3 NHD 0.818965 0.986111
4 NA0 0.740157 0.959459
5 TAP 0.732283 0.909091
6 NAD 0.674603 0.958904
7 NBP 0.649254 0.910256
8 NFD 0.613636 0.909091
9 N01 0.609023 0.932432
10 A3D 0.589552 0.945946
11 NAD IBO 0.589147 0.945205
12 NAD TDB 0.589147 0.945205
13 NAJ 0.559702 0.958904
14 NJP 0.555556 0.972973
15 DND 0.503704 0.933333
16 ZID 0.5 0.945946
17 AMP NAD 0.496454 0.932432
18 NAQ 0.493151 0.897436
19 NMN 0.491071 0.888889
20 NAE 0.486301 0.921053
21 8ID 0.485507 0.886076
22 NDE 0.480263 0.959459
23 NGD 0.478571 0.910256
24 ATR 0.467213 0.891892
25 NDC 0.464516 0.897436
26 A22 0.453125 0.932432
27 ODP 0.448276 0.910256
28 A2R 0.445312 0.906667
29 A7R 0.445255 0.846154
30 NAD BBN 0.444444 0.843373
31 NA7 0.439394 0.883117
32 NAD CJ3 0.439024 0.813953
33 NPW 0.434483 0.864198
34 NAD NDT 0.432749 0.729167
35 NZQ 0.431507 0.886076
36 ITT 0.430894 0.917808
37 CNA 0.421769 0.933333
38 NNR 0.418182 0.72973
39 A2P 0.418033 0.90411
40 NDP 0.414966 0.897436
41 TXP 0.412162 0.897436
42 DG1 0.410256 0.897436
43 1DG 0.410256 0.897436
44 9JJ 0.406977 0.8875
45 XNP 0.406667 0.851852
46 NCN 0.4 0.794521
Similar Ligands (3D)
Ligand no: 1; Ligand: ICT; Similar ligands found: 561
No: Ligand Similarity coefficient
1 AKG 1.0000
2 ATH 0.9902
3 TRA 0.9724
4 CIT 0.9604
5 7A3 0.9543
6 40F 0.9533
7 FLC 0.9527
8 MIC 0.9521
9 NCD 0.9503
10 NTC 0.9499
11 XQB 0.9469
12 5UK 0.9458
13 TRC 0.9452
14 HCT 0.9450
15 DMO 0.9445
16 1AL 0.9403
17 7A2 0.9377
18 ALA PRO 0.9315
19 8WQ 0.9303
20 NLG 0.9275
21 IPM 0.9274
22 3S4 0.9260
23 GLY ASP 0.9258
24 7QD 0.9250
25 CCB 0.9242
26 0FA 0.9239
27 ICO 0.9238
28 NFQ 0.9229
29 NTM 0.9221
30 4WK 0.9220
31 NQM 0.9211
32 AN0 0.9210
33 HJ7 0.9203
34 P4B 0.9203
35 PDC 0.9199
36 NLQ 0.9193
37 SIF 0.9192
38 NIG 0.9185
39 AOR 0.9185
40 2CG 0.9182
41 C5A 0.9178
42 GBN 0.9162
43 GLY PRO 0.9120
44 S2T 0.9117
45 8VN 0.9114
46 YQA 0.9111
47 GLY LEU 0.9107
48 1N4 0.9104
49 40H 0.9102
50 PHT 0.9098
51 ZZ8 0.9090
52 HCA 0.9089
53 EKN 0.9088
54 Q7A 0.9085
55 IJZ 0.9079
56 87L 0.9076
57 V6F 0.9071
58 F12 0.9063
59 VPR 0.9059
60 PD2 0.9059
61 NZ2 0.9057
62 2ZQ 0.9052
63 C2Y 0.9049
64 5XB 0.9046
65 CDV 0.9041
66 AIN 0.9041
67 LAO 0.9037
68 JKZ 0.9037
69 OTD 0.9036
70 ADA 0.9035
71 FOT 0.9031
72 5RN 0.9031
73 AMG 0.9031
74 MAH 0.9031
75 GCB 0.9023
76 K2P 0.9022
77 60Q 0.9020
78 DII 0.9017
79 OMD 0.9012
80 KDF 0.9009
81 GJS 0.9008
82 IPZ 0.9007
83 BRR 0.9006
84 AME 0.9003
85 ENL 0.9002
86 LT8 0.9001
87 GM7 0.9000
88 A3M 0.8998
89 DNC 0.8997
90 GOX 0.8994
91 HA7 0.8989
92 3MF 0.8988
93 KFH 0.8987
94 GTQ 0.8983
95 Q6T 0.8981
96 GOG 0.8979
97 6JN 0.8978
98 GV9 0.8978
99 XSP 0.8975
100 2PG 0.8975
101 FRU 0.8973
102 MBG 0.8973
103 GLR 0.8972
104 LSA 0.8971
105 LLH 0.8963
106 3C1 0.8963
107 DNF 0.8956
108 256 0.8954
109 6R8 0.8951
110 EVA 0.8949
111 0GZ 0.8947
112 23J 0.8947
113 GCO 0.8946
114 SF6 0.8944
115 I3A 0.8944
116 M44 0.8942
117 CBF 0.8942
118 PRZ 0.8942
119 0F9 0.8941
120 OW4 0.8940
121 CDT 0.8939
122 Z5P 0.8939
123 3C2 0.8939
124 5RG 0.8938
125 PCV 0.8938
126 AH8 0.8936
127 15N 0.8933
128 KLW 0.8932
129 3MV 0.8932
130 41K 0.8931
131 HMQ 0.8930
132 GLG 0.8930
133 091 0.8929
134 791 0.8927
135 LY0 0.8926
136 2MN 0.8923
137 HLD 0.8921
138 QAT 0.8920
139 34D 0.8920
140 BDP 0.8920
141 5WY 0.8918
142 8G0 0.8918
143 LFC 0.8917
144 ORO 0.8915
145 PQK 0.8913
146 42C 0.8913
147 J9Q 0.8913
148 UAN 0.8912
149 6XI 0.8911
150 GLC 0.8910
151 AKH 0.8910
152 5OB 0.8909
153 URC 0.8903
154 HQ9 0.8901
155 PSV 0.8900
156 4HC 0.8900
157 XX3 0.8898
158 SKM 0.8897
159 54G 0.8893
160 0GY 0.8891
161 3AL 0.8891
162 SER PRO 0.8890
163 2BX 0.8889
164 7UC 0.8889
165 3R9 0.8889
166 OVM 0.8888
167 3NY 0.8887
168 6NT 0.8886
169 3MG 0.8884
170 VNL 0.8882
171 ECG 0.8881
172 0HO 0.8881
173 AVJ 0.8880
174 3MB 0.8880
175 OIA 0.8879
176 GLA 0.8878
177 RNT 0.8878
178 1F1 0.8877
179 HNQ 0.8877
180 D1X 0.8875
181 R9S 0.8874
182 PRE 0.8873
183 7VS 0.8873
184 II6 0.8872
185 KTA 0.8872
186 9MG 0.8870
187 GAL 0.8868
188 LX1 0.8867
189 ONR 0.8867
190 DQA 0.8866
191 X1R 0.8865
192 FUD 0.8865
193 GCS 0.8865
194 CAX 0.8864
195 ALA LEU 0.8863
196 9SE 0.8863
197 FA3 0.8862
198 N8P 0.8862
199 2LY 0.8861
200 KDO 0.8860
201 9TZ 0.8860
202 1U1 0.8859
203 5XR 0.8859
204 SC2 0.8857
205 GZ8 0.8856
206 J01 0.8855
207 M3S 0.8854
208 0HN 0.8854
209 KIB 0.8853
210 NVU 0.8853
211 8GK 0.8852
212 5M0 0.8852
213 2AL 0.8851
214 EJZ 0.8850
215 MCO 0.8850
216 NAG 0.8849
217 DOR 0.8847
218 RNS 0.8846
219 SHA 0.8846
220 7HQ 0.8844
221 DBX 0.8843
222 9KH 0.8842
223 4ME 0.8841
224 LT3 0.8840
225 AVI 0.8840
226 7ZE 0.8839
227 VOH 0.8837
228 IAC 0.8836
229 FX1 0.8836
230 DXG 0.8835
231 F69 0.8833
232 FE DB1 0.8832
233 KIA 0.8832
234 92K 0.8831
235 3C7 0.8831
236 7WR 0.8831
237 TLM 0.8829
238 92P 0.8828
239 FA0 0.8828
240 0CG 0.8827
241 INE 0.8827
242 4TU 0.8827
243 F31 0.8826
244 V55 0.8825
245 5ZZ 0.8824
246 XEN 0.8823
247 AVO 0.8822
248 X1E 0.8821
249 8TX 0.8821
250 REL 0.8817
251 8EW 0.8817
252 97T 0.8817
253 GTL 0.8817
254 QPR 0.8815
255 4AA 0.8814
256 X1P 0.8813
257 2ZM 0.8812
258 8XQ 0.8811
259 5MK 0.8809
260 293 0.8808
261 3PO 0.8807
262 GTR 0.8807
263 PPK 0.8805
264 GLO 0.8805
265 BZ3 0.8803
266 56D 0.8802
267 QM1 0.8802
268 463 0.8801
269 0LH 0.8801
270 SXS 0.8801
271 DOB 0.8801
272 AQK 0.8800
273 9RH 0.8798
274 XH2 0.8797
275 GTC 0.8796
276 IOS 0.8793
277 FOC 0.8793
278 HLZ 0.8790
279 M0Q 0.8789
280 FF3 0.8789
281 KDG 0.8789
282 DJN 0.8789
283 TPO 0.8788
284 FWB 0.8788
285 8VE 0.8786
286 MLE 0.8785
287 3BU 0.8784
288 KBG 0.8784
289 4P0 0.8782
290 6NI 0.8781
291 EPR 0.8781
292 SLC 0.8779
293 JAW 0.8779
294 GZQ 0.8778
295 QAS 0.8776
296 NGO 0.8776
297 AHD 0.8775
298 NZ3 0.8772
299 5HY 0.8771
300 M1E 0.8771
301 FA6 0.8771
302 8GL 0.8771
303 DIG 0.8771
304 0JD 0.8770
305 M72 0.8770
306 1X7 0.8770
307 HHT 0.8769
308 O2A 0.8769
309 61M 0.8768
310 LPK 0.8767
311 QIC 0.8767
312 HA5 0.8766
313 KMH 0.8764
314 6W6 0.8763
315 CKX 0.8763
316 BMA 0.8761
317 R1P 0.8761
318 2CZ 0.8760
319 M1H 0.8760
320 TIU 0.8759
321 SOR 0.8758
322 DBJ 0.8758
323 GUN 0.8758
324 NGA 0.8755
325 A13 0.8754
326 IOP 0.8752
327 AW5 0.8752
328 C2U 0.8751
329 8S0 0.8751
330 CS2 0.8750
331 DHK 0.8750
332 M2K 0.8749
333 FHN 0.8748
334 TAG 0.8747
335 2FT 0.8746
336 PSJ 0.8746
337 FBG 0.8746
338 S24 0.8745
339 BK9 0.8745
340 GT0 0.8745
341 MFU 0.8744
342 PPY 0.8744
343 449 0.8744
344 XAN 0.8742
345 JJQ 0.8741
346 AUD 0.8740
347 HQJ 0.8739
348 IFG 0.8738
349 HBU 0.8738
350 9DG 0.8737
351 9PY 0.8736
352 67X 0.8735
353 ZWZ 0.8734
354 OA3 0.8733
355 SRO 0.8733
356 LFR 0.8733
357 5CU 0.8732
358 5FN 0.8731
359 HDL 0.8730
360 ABI 0.8729
361 NLA 0.8729
362 7NI 0.8729
363 TSR 0.8728
364 ASC 0.8728
365 6DP 0.8726
366 MA3 0.8726
367 6CS 0.8725
368 HJP 0.8724
369 GNL 0.8724
370 MEV 0.8723
371 A2G 0.8723
372 NGT 0.8722
373 NGW 0.8722
374 JF4 0.8722
375 OHP 0.8721
376 APG 0.8721
377 AOS 0.8720
378 MAN 0.8718
379 M0W 0.8717
380 PXL 0.8717
381 KBB 0.8715
382 MWP 0.8715
383 M5E 0.8714
384 6LW 0.8714
385 GLN 0.8714
386 SF9 0.8713
387 KYA 0.8712
388 DHS 0.8711
389 4AV 0.8710
390 RD4 0.8709
391 AI2 0.8708
392 52C 0.8708
393 OXC 0.8708
394 MHK 0.8707
395 MQB 0.8707
396 NSG 0.8706
397 EYK 0.8705
398 SDD 0.8704
399 2C2 0.8704
400 TX4 0.8704
401 RES 0.8703
402 PFL 0.8703
403 EUG 0.8702
404 GYE 0.8702
405 M74 0.8701
406 QBK 0.8701
407 FA1 0.8701
408 QUS 0.8700
409 FBU 0.8700
410 AS3 0.8700
411 G8M 0.8699
412 ODO 0.8699
413 OVP 0.8699
414 39U 0.8698
415 9BZ 0.8698
416 OEM 0.8698
417 MES 0.8697
418 GDE 0.8696
419 DAL DAL 0.8695
420 4OG 0.8694
421 3R6 0.8693
422 49N 0.8692
423 5RP 0.8690
424 F0J 0.8688
425 4M0 0.8688
426 GVM 0.8686
427 M75 0.8685
428 15A 0.8683
429 5NI 0.8682
430 61O 0.8681
431 3HP 0.8681
432 GLY CYS 0.8680
433 4TE 0.8680
434 152 0.8676
435 4CS 0.8676
436 7VJ 0.8676
437 30G 0.8675
438 DEW 0.8674
439 AL0 0.8674
440 210 0.8673
441 H6B 0.8673
442 M5N 0.8673
443 ROR 0.8673
444 NOK 0.8672
445 FDK 0.8671
446 JR2 0.8669
447 JDN 0.8669
448 X8Z 0.8668
449 NBG 0.8668
450 NID 0.8668
451 BM3 0.8668
452 15L 0.8664
453 069 0.8663
454 IXW 0.8663
455 A5P 0.8663
456 S3B 0.8660
457 SOL 0.8659
458 BHA 0.8656
459 ZPF 0.8653
460 AZ8 0.8653
461 UNC 0.8651
462 UEG 0.8651
463 GAB 0.8650
464 3NT 0.8650
465 PEZ 0.8649
466 DGL 0.8648
467 VXX 0.8648
468 M4E 0.8644
469 QMS 0.8640
470 FIX 0.8638
471 3HB 0.8638
472 MS9 0.8638
473 2SX 0.8637
474 MO8 0.8636
475 1FF 0.8633
476 P84 0.8632
477 FH2 0.8631
478 IPT 0.8631
479 3A9 0.8630
480 46P 0.8630
481 TSS 0.8629
482 R20 0.8627
483 27L 0.8626
484 HHA 0.8626
485 4A5 0.8626
486 GRO 0.8624
487 9BF 0.8623
488 4XV 0.8620
489 AGK 0.8620
490 ICB 0.8619
491 NHG 0.8618
492 M1Q 0.8618
493 TSA 0.8618
494 GLU 0.8617
495 86L 0.8616
496 E7Z 0.8616
497 M5H 0.8616
498 BZS 0.8612
499 OVV 0.8612
500 X09 0.8612
501 J9T 0.8610
502 JB8 0.8610
503 MUC 0.8609
504 S7B 0.8609
505 ARG 0.8608
506 DHB 0.8608
507 SAF 0.8607
508 KG1 0.8607
509 KP6 0.8606
510 YIO 0.8606
511 2HU 0.8604
512 GDL 0.8603
513 PE0 0.8602
514 8XL 0.8600
515 787 0.8598
516 L14 0.8593
517 INO 0.8592
518 0W8 0.8589
519 EA1 0.8588
520 G2H 0.8588
521 XLS 0.8587
522 IPB 0.8586
523 PEY 0.8586
524 2LP 0.8584
525 DIE 0.8584
526 J9W 0.8581
527 B2Y 0.8581
528 CHB 0.8580
529 XYL 0.8577
530 AQO 0.8576
531 TRP 0.8576
532 LDR 0.8574
533 HIS 0.8574
534 URQ 0.8572
535 KJM 0.8566
536 G4D 0.8566
537 CH9 0.8565
538 D07 0.8565
539 1Z8 0.8560
540 53C 0.8559
541 4Z4 0.8559
542 M5K 0.8558
543 MEW 0.8556
544 44V 0.8555
545 AJ2 0.8554
546 261 0.8554
547 B55 0.8553
548 LZM 0.8552
549 BCU 0.8550
550 9R5 0.8543
551 PLU 0.8542
552 9FE 0.8537
553 2FY 0.8536
554 8TW 0.8536
555 EV0 0.8535
556 GTZ 0.8534
557 AMH 0.8529
558 SR4 0.8522
559 OGA 0.8520
560 GCW 0.8514
561 DS0 0.8512
Ligand no: 2; Ligand: NDO; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GRO; Ligand: ICT; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 1gro.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
1 5HN6 IPM 43.0595
2 4Y1P IPM 45.1039
3 4Y1P IPM 45.1039
Pocket No.: 2; Query (leader) PDB : 1GRO; Ligand: ICT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1gro.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
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