-->
Receptor
PDB id Resolution Class Description Source Keywords
1U3G 2.5 Å EC: 6.3.3.2 STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF A 5,10- METHENYLTETRAHYDROFOLATE SYNTHETASE FROM MYCOPLASMA P NEUMONIAE (GI: 13508087) MYCOPLASMA PNEUMONIAE MYCOPLASMA PNEUMONIAE; 510-METHENYLTETRAHYDROFOLATE SYNTHETASE; 5-FORMYLTETRAHYDROFOLATE CYCLO-LIGASE; MTHFS; ATP BINDING; LIGASE; STRUCTURAL GENOMICS; BSGC STRUCTURE FUNDED BY NIH; PROTEIN STRUCTURE INITIATIVE; PSI; BERKELEY STRUCTURAL GENOMICS CENTER
Ref.: CRYSTAL STRUCTURE OF METHENYLTETRAHYDROFOLATE SYNTHETASE FROM MYCOPLASMA PNEUMONIAE (GI: 13508087) AT 2.2 A RESOLUTION PROTEINS V. 56 839 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:301;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:401;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:201;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
THF A:501;
Valid;
none;
submit data
473.439 C20 H23 N7 O7 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U3G 2.5 Å EC: 6.3.3.2 STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF A 5,10- METHENYLTETRAHYDROFOLATE SYNTHETASE FROM MYCOPLASMA P NEUMONIAE (GI: 13508087) MYCOPLASMA PNEUMONIAE MYCOPLASMA PNEUMONIAE; 510-METHENYLTETRAHYDROFOLATE SYNTHETASE; 5-FORMYLTETRAHYDROFOLATE CYCLO-LIGASE; MTHFS; ATP BINDING; LIGASE; STRUCTURAL GENOMICS; BSGC STRUCTURE FUNDED BY NIH; PROTEIN STRUCTURE INITIATIVE; PSI; BERKELEY STRUCTURAL GENOMICS CENTER
Ref.: CRYSTAL STRUCTURE OF METHENYLTETRAHYDROFOLATE SYNTHETASE FROM MYCOPLASMA PNEUMONIAE (GI: 13508087) AT 2.2 A RESOLUTION PROTEINS V. 56 839 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1U3F - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1U3G - THF C20 H23 N7 O7 c1cc(ccc1C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1U3F - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1U3G - THF C20 H23 N7 O7 c1cc(ccc1C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1U3F - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1U3G - THF C20 H23 N7 O7 c1cc(ccc1C....
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: THF; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 THF 1 1
2 FON 0.536364 0.943662
3 TLL 0.521739 0.881579
4 TMF 0.518182 0.893333
5 C2F 0.509091 0.905405
6 FFO 0.504505 0.943662
7 THG 0.490909 0.873239
8 1YJ 0.490909 0.873239
9 DZF 0.459459 0.767123
10 DHF 0.454545 0.873239
11 THH 0.447368 0.75641
12 9L9 0.446602 0.805556
13 FOL 0.446429 0.780822
14 LYA 0.440367 0.688312
15 MHF 0.420168 0.883117
16 83A 0.417391 0.727273
17 3TZ 0.408333 0.705128
18 29D 0.408333 0.76
19 29C 0.408333 0.76
20 28Z 0.408333 0.76
21 CB3 0.40678 0.783784
22 04J 0.401786 0.712329
23 1YA 0.4 0.915493
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U3G; Ligand: ADP; Similar sites found with APoc: 194
This union binding pocket(no: 1) in the query (biounit: 1u3g.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1Z08 GNP None
2 2PZE ATP None
3 2GNK ATP None
4 2O66 FLC None
5 1WWZ ACO None
6 1NBU PH2 None
7 2CBZ ATP 1.0582
8 4KFU ACP 1.5873
9 1OJ4 ANP 1.5873
10 3R96 AMP 1.59574
11 3R96 ACO 1.59574
12 6GL8 F3Q 1.74419
13 4WZ8 3W7 2.1164
14 1R6D NAD 2.1164
15 1UMD TDP COI 2.1164
16 5XXS COA 2.27273
17 5WDR GNP 2.33918
18 4HE2 AMP 2.36686
19 4CZG ADP 2.6455
20 3OFK SAH 2.6455
21 2HF9 GSP 2.6455
22 3LN9 FLC 2.8777
23 5GVR LMR 3.1746
24 2D2F ADP 3.1746
25 3ZFD ANP 3.1746
26 2VJM COA 3.1746
27 1OFU GDP 3.1746
28 1VGR COA 3.1746
29 5OF9 ANP 3.1746
30 2JJK R15 3.1746
31 3OZG SSI 3.1746
32 2VZZ SCA 3.1746
33 1S16 ANP 3.1746
34 4XDZ NDP 3.1746
35 3RWO GDP 3.24324
36 5XDT GDP 3.57143
37 1QZR CDX 3.7037
38 1QZR ANP 3.7037
39 5ESO ISC 3.7037
40 5ESO TDP 3.7037
41 1G6H ADP 3.7037
42 1ZQ9 SAM 3.7037
43 3MGB PAP 3.7037
44 1WUU ANP 3.7037
45 3UBM COA 3.7037
46 4WZ6 ATP 3.7037
47 3X0V FAD 4.2328
48 1COY FAD 4.2328
49 1COY AND 4.2328
50 1OC2 NAD 4.2328
51 1OC2 TDX 4.2328
52 5YB7 FAD 4.2328
53 5YB7 ORN 4.2328
54 2OG2 MLI 4.2328
55 6F5Z SAH 4.2328
56 1NJF AGS 4.2328
57 5OOH 9ZZ 4.2328
58 5OOH NAP 4.2328
59 1AL8 FMN 4.2328
60 1AL8 DHP 4.2328
61 5THY SAH 4.2328
62 1RJ9 GCP 4.2328
63 1N07 ADP 4.29448
64 1N07 FMN 4.29448
65 1X1R GDP 4.49438
66 1ZXM ANP 4.7619
67 1NYT NAP 4.7619
68 4B1W ATP 4.7619
69 2FXU ATP 4.7619
70 4OGQ 7PH 4.7619
71 3GDH SAH 4.7619
72 2ZWA SAH 4.7619
73 1BZY IMU 4.7619
74 5I0H ADP BEF 4.7619
75 6CBO DOW 4.7619
76 2W58 ADP 4.7619
77 3KJI ADP 4.7619
78 3X1Z GNP 4.79042
79 2IL4 COA 4.85437
80 3DDC GNP 4.90798
81 5A89 ADP 5.12821
82 5A89 FMN 5.12821
83 1HE1 GDP 5.18518
84 2ZKJ ADP 5.29101
85 5M7P ADP 5.29101
86 4U00 ADP 5.29101
87 4ZG4 VO4 ADP 5.29101
88 4XJ7 ADE 5.29101
89 5Y6Q FAD 5.29101
90 4CNG SAH 5.29101
91 3OU2 SAH 5.29101
92 1P0F NAP 5.29101
93 2HK9 ATR 5.29101
94 3WYF GTP 5.29101
95 5JCP GDP ALF 5.29101
96 3O5N BR0 5.35714
97 4CBU ATP 5.51181
98 4XSH GSP 5.58659
99 6FA4 GNP 5.78035
100 1E2K TMC 5.82011
101 1V0C KNC 5.82011
102 1V0C ACO 5.82011
103 2C9O ADP 5.82011
104 2VBF TPP 5.82011
105 2R42 FPS 5.82278
106 2VBU CDP 5.88235
107 4IPE ANP 6.34921
108 4UTG ANP 6.34921
109 4IVG ANP 6.34921
110 1GKZ ADP 6.34921
111 1P72 ADP 6.34921
112 2XTZ GSP 6.34921
113 5NA1 FAD 6.34921
114 1V47 ADX 6.34921
115 6DEF GCP 6.34921
116 1I1D 16G 6.8323
117 1I1D COA 6.8323
118 5CYV WCA 6.84932
119 1IBR GNP 6.87831
120 2GKS ADP 6.87831
121 1NVV GNP 6.87831
122 3CX8 GSP 6.87831
123 3M1I GTP 6.87831
124 5OEC GDP 7.10383
125 3A5Z KAA 7.40741
126 4HDO GNP 7.40741
127 5GM1 SAH 7.40741
128 2QCS ANP 7.40741
129 4KRI SAH 7.40741
130 3T34 GDP 7.93651
131 1W7J ADP BEF 7.93651
132 1LDN NAD 7.93651
133 4P83 U5P 8.24176
134 4Z24 FAD 8.46561
135 5MW4 5JU 8.46561
136 2JB2 PHE 8.46561
137 2JB2 FAD 8.46561
138 1QO8 FAD 8.46561
139 1IHU ADP 8.46561
140 4J56 FAD 8.77193
141 2AWN ADP 8.99471
142 6BII NAP 8.99471
143 2Q4W FAD 8.99471
144 1KK8 BEF ADP 9.52381
145 5DI3 GNP 10.0529
146 4XDY NAI 10.0529
147 1ZC3 GNP 10.2857
148 4P86 5GP 10.3825
149 2X7J TPP 10.582
150 4NU0 AP5 10.582
151 6D5V GNP 10.582
152 6D5L GNP 10.582
153 6D55 GNP 10.582
154 6D5E GNP 10.582
155 6D5M GNP 10.582
156 6D5J GNP 10.582
157 6D56 GNP 10.582
158 6D5H GNP 10.582
159 6D5G GNP 10.582
160 6D59 GNP 10.582
161 6BVJ GNP 10.582
162 6BVI GNP 10.582
163 6BVK GNP 10.582
164 6BVL GNP 10.582
165 6BVM GNP 10.582
166 1JJ7 ADP 11.1111
167 6DWD HDV 11.1111
168 4EIL NDP 11.1111
169 2B4B COA 11.6959
170 2AJ4 ANP 12.1693
171 5NM7 GLY 12.782
172 5UWH GNP 14.2857
173 6CIT GNP 14.2857
174 5UWW GNP 14.2857
175 5UWT GNP 14.2857
176 5UWR GNP 14.2857
177 5DHF GNP 14.2857
178 5UWO GNP 14.2857
179 5UWU GNP 14.2857
180 5UWJ GNP 14.2857
181 5UWQ GNP 14.2857
182 5UWI GNP 14.2857
183 5DIF GNP 14.2857
184 5XC5 GTP 14.7727
185 2Q4V ACO 17.6471
186 2V2V V12 18.5185
187 1GUA GNP 18.5185
188 6G96 ACO 20.4545
189 6D6Y SAH 21.164
190 4D0G GTP 21.7391
191 3Q9T FAY 22.2222
192 1KEW NAD 25.3968
193 3QF7 ANP 30
194 2DYS PGV 32.6087
Pocket No.: 2; Query (leader) PDB : 1U3G; Ligand: THF; Similar sites found with APoc: 156
This union binding pocket(no: 2) in the query (biounit: 1u3g.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2VWT PYR None
2 4PYA 2X3 None
3 2PZE ATP None
4 1GOJ ADP None
5 1ZEI CRS None
6 2O66 FLC None
7 4QM7 GTP None
8 2CBZ ATP 1.0582
9 4JLS 3ZE 1.31579
10 1OJ4 ANP 1.5873
11 4KFU ACP 1.5873
12 3VPB GLU 1.5873
13 6BYF CIT 1.76471
14 3W5J GDP 2.1164
15 2IZ1 ATR 2.1164
16 2Y7P SAL 2.1164
17 6HT0 GQ8 2.58065
18 4JZ8 CIT 2.6455
19 1NF8 BOG 2.6455
20 2VVG ADP 2.6455
21 3A4M ADP 2.6455
22 5XDR ADP 2.6455
23 6BMS POV 2.6455
24 4AG5 ADP 2.6455
25 2F5X ASP 2.6455
26 5G48 1FL 2.6455
27 3KIF GDL 2.83019
28 3LN9 FLC 2.8777
29 3R51 MMA 3.125
30 1IZC PYR 3.1746
31 5GVR LMR 3.1746
32 2D2F ADP 3.1746
33 4L9Z OXL 3.1746
34 1RRC ADP 3.1746
35 1JPA ANP 3.1746
36 1M7G AV2 3.1746
37 3FIU POP 3.1746
38 2WHX ADP 3.1746
39 3KC1 2T6 3.1746
40 1T5C ADP 3.1746
41 6GN6 MAL 3.1746
42 5E5U MLI 3.1746
43 1DQN IMU 3.1746
44 3TK1 GDP 3.33333
45 1W55 GPP 3.7037
46 1G6H ADP 3.7037
47 1B0U ATP 3.7037
48 1D8C GLV 3.7037
49 1JI0 ATP 3.7037
50 1P7T PYR 3.7037
51 4KVL PLM 3.7037
52 3UG4 AHR 3.7037
53 1M2Z BOG 3.7037
54 4LYA ATP 3.7037
55 4WZ6 ATP 3.7037
56 1E4I NFG 3.7037
57 3FSY SCA 3.7037
58 2Y65 ADP 3.7037
59 2J5V PCA 3.7037
60 6EOM ALA LYS 3.7037
61 3NHB ADP 3.7037
62 1D6Z HY1 3.7037
63 5TSH ADP 3.7037
64 3HQP OXL 3.7037
65 2BES RES 4.06977
66 2OG2 MLI 4.2328
67 3B9Q MLI 4.2328
68 1XX6 ADP 4.2328
69 5LX9 OLB 4.2328
70 1OXV ANP 4.2328
71 5EY0 GTP 4.2328
72 2XT3 ADP 4.2328
73 5TG5 JW8 4.2328
74 2PS1 ORO 4.2328
75 5U32 GDP 4.2328
76 1T9D PYD 4.2328
77 1T9D FAD 4.2328
78 1T9D P25 4.2328
79 1T9D 1MM 4.2328
80 4E03 ADP 4.2328
81 4KCT PYR 4.2328
82 1N07 FMN 4.29448
83 4OGQ 7PH 4.7619
84 2W58 ADP 4.7619
85 4RW3 SHV 4.7619
86 2OFW ADX 4.7619
87 3ITJ CIT 4.7619
88 5YV5 ADP 4.7619
89 1YQT ADP 4.7619
90 2PEZ DAT 5.02793
91 4U00 ADP 5.29101
92 1O9U ADZ 5.29101
93 4XJ7 ADE 5.29101
94 3QPB R1P 5.29101
95 3O5N BR0 5.35714
96 2DT9 THR 5.38922
97 3CV2 OXL 5.6391
98 5JIB OIA 5.82011
99 3LRE ADP 5.82011
100 3BP1 GUN 5.82011
101 3AB4 THR 5.82011
102 3H4S ADP 6.21762
103 4FRZ ADP 6.21762
104 3B5J 12D 6.34921
105 2DPY ADP 6.34921
106 4PPF FLC 6.87831
107 1NHX FTB 6.87831
108 2GKS ADP 6.87831
109 1NHX PEP 6.87831
110 1J78 OLA 6.87831
111 2KIN ADP 7
112 1WNG SAH 7.16981
113 2OBM ADP 7.40741
114 1TKU 5RP 7.40741
115 2GK6 ADP 7.40741
116 4P83 U5P 8.24176
117 3COB ADP 8.40108
118 5XQL C2E 8.46561
119 2XAU ADP 8.46561
120 4HSE ADP 8.46561
121 5O74 GDP 8.46561
122 3R7F CP 8.46561
123 2VOH CIT 8.9172
124 2AWN ADP 8.99471
125 3LTW HLZ 8.99471
126 4IEE AGS 8.99471
127 5AZC PGT 8.99471
128 4CVN ADP 9.42408
129 4L80 OXL 9.52381
130 1XKV ATP 9.52381
131 2WOR 2AN 10
132 1G8S MET 10.0529
133 1QB7 ADE 10.0529
134 6HKE MLT 10.0529
135 6HKE LMR 10.0529
136 4YMU ATP 10.0529
137 4P86 5GP 10.3825
138 1GXU 2HP 10.989
139 1JJ7 ADP 11.1111
140 1BG2 ADP 11.1111
141 5ZXD ATP 11.1111
142 1R6B ADP 11.1111
143 5WQJ 7N3 11.1111
144 2Q8M AMP 11.1111
145 4JGT PYR 11.6402
146 3THR C2F 12.1693
147 2V7Q ADP 12.6984
148 5NM7 GLY 12.782
149 5N9X THR 13.2275
150 3DC4 ADP 13.2275
151 3KIH GDL 13.4021
152 1U0J ADP 13.7566
153 3ZIA ADP 14.2857
154 5T63 ALA ALA ALA ALA 15.873
155 5VLQ ANP 18.5185
156 3KPE TM3 23.0769
APoc FAQ
Feedback