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Receptor
PDB id Resolution Class Description Source Keywords
1CZA 1.9 Å EC: 2.7.1.1 MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE, GLUCOSE-6-PHOSPHATE, AND ADP HOMO SAPIENS STRUCTURALLY HOMOLOGOUS DOMAINS TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF MUTANT MONOMERIC HEXOKINASE I REVEAL MULTIPLE ADP BINDING SITES AND CONFORMATIONAL CHANGES RELEVANT TO ALLOSTERIC REGULATION. J.MOL.BIOL. V. 296 1001 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP N:922;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
G6P N:919;
N:921;
Valid;
Valid;
none;
none;
submit data
260.136 C6 H13 O9 P C([C@...
GLC N:918;
N:920;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CZA 1.9 Å EC: 2.7.1.1 MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE, GLUCOSE-6-PHOSPHATE, AND ADP HOMO SAPIENS STRUCTURALLY HOMOLOGOUS DOMAINS TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF MUTANT MONOMERIC HEXOKINASE I REVEAL MULTIPLE ADP BINDING SITES AND CONFORMATIONAL CHANGES RELEVANT TO ALLOSTERIC REGULATION. J.MOL.BIOL. V. 296 1001 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1CZA - G6P C6 H13 O9 P C([C@@H]1[....
2 1QHA - G6P C6 H13 O9 P C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1CZA - G6P C6 H13 O9 P C([C@@H]1[....
2 1QHA - G6P C6 H13 O9 P C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1CZA - G6P C6 H13 O9 P C([C@@H]1[....
2 1QHA - G6P C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Ligand no: 2; Ligand: G6P; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 M6D 1 1
2 BG6 1 1
3 G6P 1 1
4 A6P 1 1
5 BGP 1 1
6 M6P 1 1
7 RP5 0.8 0.902439
8 ABF 0.8 0.902439
9 HSX 0.8 0.902439
10 AHG 0.621622 0.795455
11 GLP 0.590909 0.829787
12 4R1 0.590909 0.829787
13 50A 0.571429 0.8
14 RF5 0.571429 0.8
15 16G 0.55102 0.75
16 4QY 0.55102 0.75
17 BMX 0.55102 0.75
18 EMZ 0.55 0.636364
19 GRF 0.547619 0.692308
20 NNG 0.530612 0.75
21 XYT 0.527273 0.906977
22 1FT 0.517857 0.847826
23 FDQ 0.511111 0.777778
24 G16 0.5 0.951219
25 PRP 0.5 0.880952
26 RI2 0.5 0.857143
27 T6P 0.470588 0.906977
28 D6G 0.468085 0.951219
29 P3M 0.466667 0.906977
30 GIV 0.461538 0.675
31 GLC 0.461538 0.675
32 ALL 0.461538 0.675
33 GXL 0.461538 0.675
34 GAL 0.461538 0.675
35 BMA 0.461538 0.675
36 BGC 0.461538 0.675
37 WOO 0.461538 0.675
38 GLA 0.461538 0.675
39 MAN 0.461538 0.675
40 LAK 0.45098 0.674419
41 GLA BGC 0.45098 0.674419
42 MAN MAN 0.45098 0.674419
43 GLC GLC 0.45098 0.674419
44 BGC GLC 0.45098 0.674419
45 MAN BMA 0.45098 0.674419
46 GAL GLC 0.45098 0.674419
47 BMA MAN 0.45098 0.674419
48 BMA GLA 0.45098 0.674419
49 GLA GLC 0.45098 0.674419
50 GLC BGC 0.45098 0.674419
51 GLA BMA 0.45098 0.674419
52 MLB 0.45098 0.674419
53 BGC GLA 0.45098 0.674419
54 GAL GAL 0.45098 0.674419
55 N 0.444444 0.777778
56 PPC 0.442308 0.822222
57 GLC GLC GLC GLC GLC BGC 0.433962 0.674419
58 GLC GLC GLC 0.433962 0.674419
59 MAN MAN MAN 0.433962 0.674419
60 BMA MAN MAN 0.433962 0.674419
61 GLC GLC GLC GLC BGC 0.433962 0.674419
Ligand no: 3; Ligand: GLC; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CZA; Ligand: GLC; Similar sites found with APoc: 57
This union binding pocket(no: 1) in the query (biounit: 1cza.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2H7C SIA 1.47601
2 5MJI 7O6 1.55642
3 6EL3 NAP 1.5748
4 6F3M NAD 1.73913
5 2NAD NAD 2.03562
6 1RP0 AHZ 2.11268
7 2B4Q NAP 2.17391
8 1X1T NAD 2.30769
9 4LOC OXM 2.68987
10 2OYS FMN 2.89256
11 1WPY BTN 2.97872
12 2GCG NDP 3.0303
13 1VJ7 GPX 3.05344
14 1HXD BTN 3.11526
15 3LM9 FRU 3.31126
16 5BRE 4UZ 3.41207
17 3VGL BGC 3.42679
18 3ABI NAD 3.56164
19 2JBM SRT 3.67893
20 2GSD NAD 3.73134
21 4HNN LYS 3.75723
22 1KOJ PAN 3.7702
23 1I1N SAH 3.9823
24 4XTX 590 4.07407
25 1WG8 SAM 4.21053
26 1SZ2 BGC 4.21687
27 4AUT FAD 4.2735
28 2GSU AMP 4.58015
29 1V8B NAD 4.5929
30 6BII NAP 4.8048
31 1MUU SUC 4.81651
32 1QFY NAP 4.87013
33 1QFY FAD 4.87013
34 2Z48 NGA 5.09259
35 4ZGS NAD 5.18135
36 5CDH TLA 5.65476
37 5DF1 58X 5.70652
38 5DF1 NAP 5.70652
39 1WOQ BGC 5.99251
40 4POO SAM 6
41 5DN9 NAD 6.04396
42 6AYU MLI 6.05187
43 5AOV NAP 6.84524
44 4HEQ FMN 6.84932
45 4XYB NDP 6.90537
46 1YP4 ADP 7.31707
47 1WD4 AHR 7.67635
48 2O4C NAD 7.89474
49 5F7R GLC GLC 7.92079
50 3LU1 NAD 9.34066
51 2DBZ NAP 10.1796
52 6EV2 BGC 10.3604
53 2CH5 NAG 11.5274
54 2CH5 NDG 11.5274
55 1KJ1 MAN 11.9266
56 3KP6 SAL 12.5828
57 5A8R TP7 17.3585
Pocket No.: 2; Query (leader) PDB : 1CZA; Ligand: ADP; Similar sites found with APoc: 91
This union binding pocket(no: 2) in the query (biounit: 1cza.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 6C1R EFD 1.4218
3 1N20 3AG 1.45719
4 4COL DTP 1.5361
5 5UV1 0FV 1.64745
6 1RHC F42 ACN 1.81818
7 5LOF 70R 1.9305
8 4W4S B29 2
9 5FPN KYD 2.03125
10 3EBL GA4 2.07197
11 3B1M KRC 2.12014
12 2P4Y C03 2.16606
13 3FUR Z12 2.20588
14 5TWO 7MV 2.20588
15 2QXL ATP 2.43161
16 3LDW ZOL 2.52525
17 1YSL COA 2.98507
18 3OV6 MK0 3.02267
19 3D04 SAK 3.14465
20 5N5U 7N8 3.18471
21 1NF8 BOG 3.38164
22 5TCI 79V 3.41463
23 4POJ 2VP 3.4632
24 4M8E 29V 3.4632
25 4GVS F4M 3.48101
26 5O2D 9HH 3.5
27 2JFZ DGL 3.52941
28 2JFZ 003 3.52941
29 3E3U NVC 3.5533
30 1I0B PEL 3.61446
31 2E2R 2OH 3.68852
32 2P8U COA 3.76569
33 4UNR QZE 3.80952
34 1JBW ACQ 3.97196
35 6CB2 OLC 4.09556
36 5B4B LP5 4.43548
37 3KMZ EQO 4.51128
38 4HIA FMN 4.54545
39 3OKI OKI 4.72103
40 3WCA FPS 4.90731
41 4R38 RBF 5
42 1XPM HMG 5.05051
43 1XPM CAA 5.05051
44 1ELW GLY PRO THR ILE GLU GLU VAL ASP 5.08475
45 1XPK HMG 5.15464
46 1XPK CAA 5.15464
47 3ZPG 5GP 5.2356
48 4K10 NI9 5.24862
49 3GST GPR 5.52995
50 2Z7I 742 5.58824
51 5IF4 6AK 5.66038
52 2Y88 2ER 5.7377
53 4WKI 3PW 5.95745
54 5NWI TYR PHE SER SEP ASN 6.10687
55 1ELR ACE MET GLU GLU VAL ASP 6.10687
56 5CSD ACD 6.28931
57 6BMS PLM 6.45161
58 2WYA HMG 6.52174
59 5NI5 8YB 6.59722
60 3RET SAL 6.93069
61 3RET PYR 6.93069
62 6FS0 E4W 6.97674
63 6ESN BWE 7.11611
64 4DXJ 0M9 7.18232
65 1EE0 CAA 7.21393
66 5V4R MGT 7.40741
67 4UMJ BFQ 7.43243
68 1DBT U5P 7.53138
69 1BWO LPC 7.77778
70 1YKD CMP 7.78894
71 5NTP 98E 7.98319
72 2J4K U5P 8.84956
73 3QMK SGN IDS SGN IDS 8.8785
74 1RQJ RIS 9.0301
75 5AZC PGT 9.33333
76 2ZSH GA3 10.9091
77 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 11.1111
78 1UVC STE 12.0879
79 3ZLR X0B 12.6582
80 3KRO DST 13.1387
81 3KRO IPE 13.1387
82 3L9R L9R 13.2653
83 5OCA 9QZ 13.8655
84 5LX9 OLB 15.3094
85 3HUJ AGH 18.1818
86 4V1T ADP 18.75
87 5ZCO PGV 22.0339
88 2DYR PGV 22.0339
89 4OGQ 7PH 23.5294
90 1NRL SRL 40
91 4HEE 14R 40
Pocket No.: 3; Query (leader) PDB : 1CZA; Ligand: G6P; Similar sites found with APoc: 151
This union binding pocket(no: 3) in the query (biounit: 1cza.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3EYA TDP 1.45719
2 3I51 45C 1.48148
3 1FC4 AKB PLP 1.49626
4 1MLY ACZ PLP 1.6317
5 5W3Y ACO 1.70455
6 1ZGS XMM 1.78971
7 5MDH NAD 1.8018
8 1B8U OAA 1.82371
9 2HIM ASP 1.95531
10 2HIM ASN 1.95531
11 2IHU TP9 2.09424
12 5NUF NAD 2.10843
13 5NUE NAD 2.10843
14 2CVQ NDP 2.14067
15 1DFO PLG 2.15827
16 5O0J GLC 2.20751
17 1JT2 FER 2.23881
18 5MB4 NAG 2.24439
19 5MB4 NDG 2.24439
20 5X8G S0N 2.26804
21 2RBK VN4 2.29885
22 5Z20 NAI 2.31884
23 4Y9J FAD 2.36088
24 4AVB CMP 2.4024
25 2UYT LRH 2.65849
26 2UYT ADP 2.65849
27 6FP4 FAD 2.67559
28 5G09 6DF 2.69151
29 2Z6J FMN 2.71084
30 3NJ4 NAD 2.75862
31 4A59 AMP 2.78232
32 2RGH FAD 2.8021
33 1ME8 RVP 2.83533
34 6CD1 PLS 2.85714
35 3WQT ANP 2.89256
36 1CDO NAD 2.94118
37 1VLJ NAP 2.9484
38 1WPY BTN 2.97872
39 5XFV FMN 2.99401
40 6GAS FAD 3.02115
41 2GCG NDP 3.0303
42 2ZAT NAP 3.07692
43 1GZ4 ATP 3.0853
44 1S9A BEZ 3.11284
45 2NXW TPP 3.18584
46 2JHF NAD 3.20856
47 3ITJ FAD 3.25444
48 5M67 ADE 3.34029
49 5M67 NAD 3.34029
50 5M67 3D1 3.34029
51 5A1S FLC 3.34821
52 4WZA ACP 3.3543
53 3KAP FMN 3.40136
54 3U2U UDP 3.42205
55 1MO9 KPC 3.44168
56 1MO9 FAD 3.44168
57 1U3U BNF 3.47594
58 1U3U NAD 3.47594
59 5E9G GLV 3.57143
60 3WBF NAP 3.60656
61 4XFM THE 3.66379
62 2NVK FAD 3.68852
63 4TQK NAG 3.69458
64 4RQU NAD 3.73333
65 5J60 FAD 3.75
66 1D1T NAD 3.75335
67 2DC1 CIT 3.81356
68 2J5V PCA 3.81471
69 3ZRR PXG 3.90625
70 4XTX 590 4.07407
71 2W68 SIA GAL BGC 4.10256
72 4AOA IK2 4.18502
73 3ENV ABF 4.25532
74 3HRD FAD 4.375
75 6BVE PGA 4.4898
76 1PL6 572 4.49438
77 1LL2 UPG 4.5045
78 1V8B NAD 4.5929
79 2P53 NNG 4.71204
80 2BOY BHO 4.72441
81 3CW9 AMP 4.7619
82 6BII NAP 4.8048
83 1QFY NAP 4.87013
84 1QFY FAD 4.87013
85 4NAE 1GP 4.88889
86 3LXK MI1 4.89297
87 3B1Q NOS 4.90798
88 2D6M LBT 5.03145
89 2ZJ1 ARJ 5.05051
90 2ZJ1 NAD 5.05051
91 1X54 4AD 5.06912
92 1A78 TDG 5.22388
93 6CBN OZY 5.25114
94 3LDQ 3P1 5.26316
95 6BKA FMN 5.34759
96 5TOW NAI 5.40541
97 5TOW ADN 5.40541
98 4Q4K FMN 5.60224
99 6CED EYA 5.60748
100 5Y6Q FAD 5.80645
101 2CFC KPC 6
102 4D52 GXL 6.03175
103 4D52 GIV 6.03175
104 1V3S ATP 6.03448
105 5L3R GCP 6.14334
106 5A1T NAI 6.15836
107 5A1T OXM 6.15836
108 1DL5 SAH 6.30915
109 6BSW UDP 6.50888
110 1C1L GAL BGC 6.56934
111 4E5N NAD 6.66667
112 1UY4 XYP XYP XYP XYP 6.89655
113 1PVN MZP 6.91489
114 1GPE FAD 7.15503
115 5OVX AY5 7.54098
116 1RJ9 GCP 7.56579
117 5WS9 AMP 7.57895
118 4WVW SLT 7.63889
119 1LYX PGA 7.66129
120 1W0O SIA 7.8105
121 4IF4 BEF 8.17308
122 1SFF IK2 8.4507
123 4Q86 AMP 8.53242
124 5KXE 6Y2 8.64198
125 5W3X ACO 8.75
126 1P0F NAP 8.84719
127 2J4K U5P 8.84956
128 1TAD ALF 8.95062
129 1TAD GDP 8.95062
130 4IRP UDP 9.16335
131 2IVF MGD 9.34579
132 1OFD AKG 9.59651
133 1OFD FMN 9.59651
134 1IYE PGU 9.70874
135 1NVM NAD 10.1449
136 2DBZ NAP 10.1796
137 5X80 SAL 10.625
138 2YAJ 4HP 11.6279
139 2WK9 PLG 12.3393
140 2WK9 PLP 12.3393
141 5N6C NAD 12.6667
142 2P3V SRT 14.0625
143 1L5Y BEF 15.4839
144 2DTX BMA 15.5303
145 2AMT GPP 16.3522
146 1TX4 ALF GDP 16.3842
147 6BR7 BEF 16.5414
148 2VAR KDF 17.2524
149 2VAR KDG 17.2524
150 5EYW PGA 20.4819
151 2YMZ LAT 29.2308
Pocket No.: 4; Query (leader) PDB : 1CZA; Ligand: G6P; Similar sites found with APoc: 48
This union binding pocket(no: 4) in the query (biounit: 1cza.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 5C9P FUC 1.5748
3 1QM5 GLC GLC GLC PO4 SGC GLC 1.63317
4 4MDH NAD 1.79641
5 6G28 AR6 1.90736
6 4M00 SUC 2.03327
7 4RJK TDL 2.45184
8 5TXR PLP 2.64766
9 3BW2 FMN 2.71003
10 2RAB NAD 3.02376
11 3V91 UPG 3.09278
12 3BAZ NAP 3.3033
13 4NST ADP 3.35821
14 5FPE 3TR 3.35917
15 4YWV SSN 3.44086
16 3WBF API 3.60656
17 5Z21 NAI 3.63128
18 4YMZ 13P 3.98406
19 4UP4 GAL NAG 4.2394
20 12AS AMP 4.24242
21 3WLE NAD 4.39883
22 1UOU CMU 4.64135
23 2GN4 UD1 4.65116
24 3VPH OXM 5.16129
25 1HSL HIS 5.46218
26 2QCS ANP 6
27 4Z87 5GP 6.09524
28 5EOO CIT 6.41509
29 5UIU 8CG 6.50155
30 6B3V ANP 6.57895
31 6B3V 7DQ 6.57895
32 4GKV NAD 6.84524
33 1T0S BML 6.97674
34 2HJR APR 7.31707
35 5JIC N7E 7.32601
36 5JIC ADP 7.32601
37 1NXJ TLA 7.65027
38 1V1A KDG 7.76699
39 2VHW NAI 7.95756
40 4INB 1F6 8.21918
41 3O61 GDD 8.37696
42 5XWC NAP 8.47826
43 5XWC 8GL 8.47826
44 5XWC 2IT 8.47826
45 1UXG NAD 11.3269
46 1UXG FUM 11.3269
47 1MJH ATP 14.1975
48 2V4V XYP 24.031
Pocket No.: 5; Query (leader) PDB : 1CZA; Ligand: GLC; Similar sites found with APoc: 18
This union binding pocket(no: 5) in the query (biounit: 1cza.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2H7C COA 1.47601
2 3QOX SAH 1.64319
3 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 2.08955
4 2V6G NAP 2.47253
5 1FL2 FAD 2.58065
6 1HKU NAD 2.7933
7 1MOQ GLP 3.80435
8 2ZJ1 NAD 5.05051
9 2ZJ1 ARJ 5.05051
10 1SB8 NAD 5.96591
11 1SB8 UD2 5.96591
12 2REG CHT 6.04027
13 5M3E APR 6.06061
14 4B7X NAP 6.54762
15 3W6X HZP 6.55022
16 3HVJ 705 7.69231
17 2YI0 YI0 7.86026
18 4G6I RS3 10.4762
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