Receptor
PDB id Resolution Class Description Source Keywords
1MOQ 1.57 Å EC: 2.6.1.16 ISOMERASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPLEX GLUCOSAMINE 6-PHOSPHATE ESCHERICHIA COLI GLUTAMINE AMIDOTRANSFERASE
Ref.: INVOLVEMENT OF THE C TERMINUS IN INTRAMOLECULAR NIT CHANNELING IN GLUCOSAMINE 6-PHOSPHATE SYNTHASE: EVI FROM A 1.6 A CRYSTAL STRUCTURE OF THE ISOMERASE DOM STRUCTURE V. 6 1047 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLP A:609;
Valid;
none;
Ki = 0.35 mM
259.151 C6 H14 N O8 P C([C@...
MES A:610;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
MRD A:611;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@H...
NA A:617;
Invalid;
none;
submit data
22.99 Na [Na+]
SO4 A:612;
A:613;
A:614;
A:615;
A:616;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MOQ 1.57 Å EC: 2.6.1.16 ISOMERASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPLEX GLUCOSAMINE 6-PHOSPHATE ESCHERICHIA COLI GLUTAMINE AMIDOTRANSFERASE
Ref.: INVOLVEMENT OF THE C TERMINUS IN INTRAMOLECULAR NIT CHANNELING IN GLUCOSAMINE 6-PHOSPHATE SYNTHASE: EVI FROM A 1.6 A CRYSTAL STRUCTURE OF THE ISOMERASE DOM STRUCTURE V. 6 1047 1998
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1MOQ Ki = 0.35 mM GLP C6 H14 N O8 P C([C@@H]1[....
2 1MOS - AGP C6 H16 N O8 P C([C@@H]([....
3 1MOR - G6P C6 H13 O9 P C([C@@H]1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1MOQ Ki = 0.35 mM GLP C6 H14 N O8 P C([C@@H]1[....
2 1MOS - AGP C6 H16 N O8 P C([C@@H]([....
3 1MOR - G6P C6 H13 O9 P C([C@@H]1[....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2POC - BG6 C6 H13 O9 P C([C@@H]1[....
2 2PUV - M6R C6 H16 N O8 P C([C@H]([C....
3 2PUT - F6R C6 H13 O9 P C([C@H]([C....
4 1MOQ Ki = 0.35 mM GLP C6 H14 N O8 P C([C@@H]1[....
5 1MOS - AGP C6 H16 N O8 P C([C@@H]([....
6 1MOR - G6P C6 H13 O9 P C([C@@H]1[....
7 4AMV - F6R C6 H13 O9 P C([C@H]([C....
8 2J6H - G6Q C6 H13 O9 P C([C@H]([C....
9 6SVO - GLU C5 H9 N O4 C(CC(=O)O)....
10 6R4F - G6Q C6 H13 O9 P C([C@H]([C....
11 6R4E - GLU C5 H9 N O4 C(CC(=O)O)....
12 6R4H - GLU C5 H9 N O4 C(CC(=O)O)....
13 2ZJ3 - G6P C6 H13 O9 P C([C@@H]1[....
14 2ZJ4 - AGP C6 H16 N O8 P C([C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLP; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 4R1 1 1
2 GLP 1 1
3 RP5 0.634146 0.755102
4 HSX 0.634146 0.755102
5 ABF 0.634146 0.755102
6 GRF 0.604651 0.846154
7 A6P 0.590909 0.829787
8 BGP 0.590909 0.829787
9 M6D 0.590909 0.829787
10 G6P 0.590909 0.829787
11 M6P 0.590909 0.829787
12 BG6 0.590909 0.829787
13 AHG 0.560976 0.673077
14 3LJ 0.541667 0.77193
15 RF5 0.521739 0.679245
16 50A 0.521739 0.679245
17 BMX 0.509434 0.867925
18 4QY 0.509434 0.867925
19 16G 0.509434 0.867925
20 NNG 0.490566 0.867925
21 PA1 0.488372 0.729167
22 X6X 0.488372 0.729167
23 1GN 0.488372 0.729167
24 95Z 0.488372 0.729167
25 GCS 0.488372 0.729167
26 FDQ 0.469388 0.660377
27 RI2 0.46 0.72
28 G16 0.433962 0.795918
29 D6G 0.431373 0.795918
30 TEC 0.412698 0.62069
31 PRP 0.410714 0.74
32 PPC 0.410714 0.698113
33 N 0.408163 0.660377
Similar Ligands (3D)
Ligand no: 1; Ligand: GLP; Similar ligands found: 414
No: Ligand Similarity coefficient
1 1QV 0.9644
2 PLR 0.9641
3 QIF 0.9631
4 PLP 0.9545
5 PXP 0.9505
6 PLP PMP 0.9504
7 PZP 0.9504
8 PMP 0.9504
9 NPL 0.9501
10 F6P 0.9456
11 6HP 0.9407
12 MP5 0.9402
13 N2M 0.9325
14 X04 0.9317
15 F1P 0.9264
16 IPD 0.9212
17 LIP 0.9187
18 F5C 0.9161
19 IOP 0.9156
20 GT1 0.9149
21 TU0 0.9138
22 GPM 0.9136
23 V1T 0.9123
24 PTS 0.9122
25 DHC 0.9119
26 P0P 0.9111
27 FER 0.9100
28 TA6 0.9089
29 KLV 0.9089
30 5OO 0.9086
31 GJK 0.9084
32 M1P 0.9066
33 F1X 0.9065
34 5WN 0.9064
35 IL5 0.9061
36 YF3 0.9050
37 ALX 0.9050
38 JP2 0.9049
39 A5P 0.9046
40 SG2 0.9043
41 QMS 0.9040
42 SYE 0.9034
43 68A 0.9024
44 ZEC 0.9019
45 NAG 0.9009
46 8MP 0.9008
47 JVA 0.9007
48 F6R 0.8996
49 JV4 0.8996
50 L21 0.8992
51 GI4 0.8989
52 AMR 0.8988
53 M7P 0.8986
54 KTW 0.8982
55 G1P 0.8977
56 XCG 0.8975
57 STT 0.8972
58 HC4 0.8969
59 5WS 0.8967
60 ALE 0.8962
61 4FE 0.8961
62 1BW 0.8957
63 LOT 0.8954
64 2GQ 0.8951
65 RGG 0.8951
66 IOS 0.8947
67 APS 0.8945
68 STV 0.8944
69 X1P 0.8943
70 GFP 0.8939
71 6J5 0.8933
72 CHQ 0.8933
73 ARP 0.8933
74 9BF 0.8933
75 I2E 0.8932
76 MXD 0.8931
77 ZHA 0.8928
78 ZIP 0.8926
79 GI3 0.8919
80 P7Y 0.8914
81 2CZ 0.8912
82 HHS 0.8910
83 MTS 0.8908
84 TRP 0.8902
85 TMG 0.8899
86 HBI 0.8898
87 57O 0.8897
88 5WM 0.8896
89 8U3 0.8896
90 HBO 0.8894
91 EVF 0.8894
92 CTE 0.8894
93 XYP XIF 0.8891
94 GI1 0.8888
95 XIF XYP 0.8887
96 AGP 0.8885
97 4WF 0.8884
98 ZRK 0.8883
99 B4O 0.8883
100 H35 0.8883
101 P81 0.8882
102 FF2 0.8882
103 QIV 0.8874
104 2HC 0.8871
105 CFA 0.8869
106 F52 0.8868
107 790 0.8868
108 J5B 0.8867
109 N7I 0.8867
110 MUX 0.8866
111 EYV 0.8866
112 KYN 0.8864
113 61M 0.8863
114 EXD 0.8863
115 GXG 0.8861
116 EUH 0.8860
117 3IL 0.8859
118 FPL 0.8858
119 NTF 0.8858
120 EBQ 0.8857
121 B41 0.8853
122 GZV 0.8853
123 X0T 0.8853
124 NBV 0.8853
125 3Y7 0.8852
126 NPA 0.8850
127 BGN 0.8850
128 363 0.8849
129 8NX 0.8848
130 0SY 0.8848
131 NQH 0.8845
132 DBS 0.8845
133 2FX 0.8844
134 ZYQ 0.8844
135 NDG 0.8843
136 4OG 0.8840
137 YTX 0.8840
138 C0W 0.8838
139 1VQ 0.8838
140 2LT 0.8837
141 I4D 0.8836
142 K25 0.8832
143 9F8 0.8831
144 DG2 0.8830
145 MMS 0.8830
146 MD6 0.8828
147 96Z 0.8827
148 MJ5 0.8827
149 EUE 0.8826
150 CIY 0.8824
151 NHT 0.8823
152 LTN 0.8823
153 GO8 0.8822
154 M3Q 0.8818
155 2K8 0.8818
156 P80 0.8817
157 TB8 0.8817
158 3ZB 0.8816
159 MQG 0.8815
160 5GT 0.8815
161 NOK 0.8814
162 DTR 0.8813
163 BIO 0.8811
164 GO2 0.8810
165 DAH 0.8806
166 CH8 0.8806
167 RP3 0.8805
168 MFZ 0.8804
169 MBP 0.8803
170 YOF 0.8802
171 GC2 0.8802
172 IAC 0.8801
173 QBM 0.8798
174 6ZW 0.8795
175 CR1 0.8795
176 EXL 0.8795
177 AC2 0.8794
178 D9Z 0.8794
179 H4B 0.8793
180 Y3L 0.8786
181 3RI 0.8786
182 GB4 0.8786
183 657 0.8785
184 F34 0.8785
185 51Y 0.8782
186 5WT 0.8782
187 7AP 0.8781
188 QH3 0.8780
189 8VR 0.8779
190 3VX 0.8776
191 6Q3 0.8776
192 FWD 0.8776
193 DTE 0.8773
194 4BY 0.8772
195 MPP 0.8772
196 ZEZ 0.8770
197 4Z9 0.8768
198 KF5 0.8768
199 EYY 0.8767
200 F40 0.8767
201 OSB 0.8766
202 EXR 0.8764
203 3D8 0.8763
204 O2Y 0.8763
205 EGR 0.8763
206 ZEA 0.8762
207 8W9 0.8760
208 M5H 0.8758
209 TOH 0.8756
210 P2L 0.8754
211 SKF 0.8752
212 R1P 0.8752
213 OX2 0.8751
214 HPT 0.8748
215 S0G 0.8747
216 LL1 0.8747
217 6DP 0.8745
218 BY5 0.8744
219 IYR 0.8742
220 M78 0.8742
221 TSR 0.8741
222 TNX 0.8740
223 GC3 0.8740
224 B61 0.8740
225 56N 0.8739
226 PYU 0.8737
227 UQ1 0.8736
228 2KU 0.8736
229 XFE 0.8735
230 5OF 0.8732
231 QR2 0.8731
232 S7G 0.8729
233 A4V 0.8728
234 DER 0.8727
235 KG1 0.8726
236 N91 0.8724
237 C4E 0.8724
238 HJB 0.8721
239 X48 0.8721
240 QUB 0.8720
241 KWB 0.8720
242 C82 0.8719
243 ONZ 0.8719
244 H2B 0.8718
245 ZON 0.8717
246 P4L 0.8716
247 GDL 0.8716
248 LSQ 0.8713
249 CC5 0.8713
250 0FR 0.8712
251 HPP 0.8706
252 D1Y 0.8705
253 JOV 0.8704
254 K3Q 0.8703
255 TOM 0.8701
256 NB1 0.8700
257 7L4 0.8697
258 LVD 0.8697
259 C9E 0.8696
260 0OK 0.8695
261 NIY 0.8695
262 NLA 0.8694
263 CLU 0.8694
264 MAJ 0.8694
265 TCA 0.8693
266 BP7 0.8693
267 4AB 0.8693
268 3IB 0.8692
269 SJK 0.8691
270 CWD 0.8691
271 PNP 0.8691
272 5RP 0.8690
273 EYJ 0.8689
274 KP2 0.8688
275 DEG 0.8687
276 4Z1 0.8686
277 F90 0.8686
278 WA2 0.8685
279 NEU 0.8684
280 AJD 0.8683
281 AHC 0.8683
282 F06 0.8682
283 DXK 0.8681
284 4NS 0.8680
285 4BX 0.8678
286 HWD 0.8677
287 S0W 0.8676
288 5AD 0.8675
289 BQ2 0.8675
290 PPT 0.8672
291 NFM 0.8672
292 5WU 0.8671
293 B5A 0.8671
294 YX1 0.8671
295 STZ 0.8671
296 22L 0.8670
297 4NP 0.8668
298 54X 0.8666
299 B23 0.8666
300 HA6 0.8665
301 67Y 0.8665
302 833 0.8665
303 SXX 0.8664
304 5TY 0.8664
305 TYR 0.8663
306 FYR 0.8663
307 3N1 0.8662
308 1X4 0.8661
309 3SU 0.8661
310 9GP 0.8660
311 BPY 0.8660
312 JCZ 0.8659
313 FUZ 0.8658
314 XQI 0.8657
315 5V7 0.8655
316 YE7 0.8654
317 55D 0.8654
318 3WJ 0.8653
319 ZIQ 0.8651
320 92O 0.8650
321 535 0.8648
322 NAL 0.8647
323 PIQ 0.8647
324 CXH 0.8645
325 R5P 0.8645
326 3D1 0.8645
327 4MB 0.8645
328 3GX 0.8643
329 MUR 0.8642
330 3B4 0.8640
331 0UL 0.8638
332 5NN 0.8637
333 CCV 0.8636
334 7ZL 0.8636
335 EV2 0.8635
336 ENO 0.8634
337 EN1 0.8633
338 YIP 0.8632
339 7EH 0.8632
340 0J5 0.8631
341 KYA 0.8630
342 9B3 0.8629
343 LJ4 0.8627
344 RSV 0.8626
345 N1E 0.8626
346 TZP 0.8626
347 5B2 0.8624
348 4CN 0.8623
349 5P3 0.8623
350 P9E 0.8622
351 5E5 0.8620
352 ZME 0.8620
353 AZC 0.8619
354 DDU 0.8617
355 NXL 0.8615
356 6ZX 0.8612
357 PW1 0.8610
358 CKU 0.8609
359 GA2 0.8609
360 4TP 0.8606
361 6GP 0.8606
362 H4E 0.8605
363 HXY 0.8604
364 3L1 0.8603
365 BWD 0.8603
366 PVQ 0.8598
367 9UL 0.8598
368 6J9 0.8593
369 1PS 0.8592
370 THM 0.8590
371 CL9 0.8590
372 4I8 0.8588
373 RVE 0.8585
374 GXD 0.8584
375 2QU 0.8582
376 PVK 0.8582
377 4GP 0.8582
378 XRS 0.8580
379 9E3 0.8579
380 RNK 0.8579
381 MUK 0.8578
382 EMZ 0.8578
383 YIH 0.8577
384 327 0.8577
385 IS2 0.8577
386 EQA 0.8576
387 B21 0.8575
388 ZSP 0.8574
389 4XF 0.8574
390 GZ2 0.8574
391 26E 0.8572
392 AAN 0.8572
393 Q0K 0.8571
394 I59 0.8568
395 7MX 0.8567
396 1V3 0.8567
397 848 0.8566
398 QME 0.8566
399 14W 0.8560
400 ALN 0.8559
401 57D 0.8557
402 CPW 0.8554
403 IWD 0.8553
404 LWS 0.8553
405 NCV 0.8549
406 977 0.8547
407 EQW 0.8545
408 CGW 0.8542
409 OUB 0.8542
410 DTY 0.8540
411 5SP 0.8534
412 5O5 0.8530
413 6DQ 0.8519
414 GNG 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1MOQ; Ligand: GLP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1moq.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1MOQ; Ligand: GLP; 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: 1moq.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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