-->
Receptor
PDB id Resolution Class Description Source Keywords
1CT9 2 Å EC: 6.3.5.4 CRYSTAL STRUCTURE OF ASPARAGINE SYNTHETASE B FROM ESCHERICHIA COLI ESCHERICHIA COLI AMIDOTRANSFERASE SUBSTRATE CHANNELING ASPARAGINE BIOSYNTHESIS LIGASE
Ref.: THREE-DIMENSIONAL STRUCTURE OF ESCHERICHIA COLI ASPARAGINE SYNTHETASE B: A SHORT JOURNEY FROM SUBSTRATE TO PRODUCT. BIOCHEMISTRY V. 38 16146 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMP A:1100;
C:1114;
D:1121;
B:1107;
Invalid;
Invalid;
Invalid;
Valid;
none;
none;
none;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
CL A:1105;
B:1112;
C:1119;
D:1126;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
GLN A:1106;
B:1113;
C:1120;
D:1127;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
146.144 C5 H10 N2 O3 C(CC(...
IUM A:1101;
A:1102;
A:1103;
A:1104;
B:1109;
B:1110;
B:1111;
C:1115;
C:1116;
C:1117;
C:1118;
D:1122;
D:1123;
D:1124;
D:1125;
B:1108;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
270.028 O2 U [O-][...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CT9 2 Å EC: 6.3.5.4 CRYSTAL STRUCTURE OF ASPARAGINE SYNTHETASE B FROM ESCHERICHIA COLI ESCHERICHIA COLI AMIDOTRANSFERASE SUBSTRATE CHANNELING ASPARAGINE BIOSYNTHESIS LIGASE
Ref.: THREE-DIMENSIONAL STRUCTURE OF ESCHERICHIA COLI ASPARAGINE SYNTHETASE B: A SHORT JOURNEY FROM SUBSTRATE TO PRODUCT. BIOCHEMISTRY V. 38 16146 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1CT9 - GLN C5 H10 N2 O3 C(CC(=O)N)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1CT9 - GLN C5 H10 N2 O3 C(CC(=O)N)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1CT9 - GLN C5 H10 N2 O3 C(CC(=O)N)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMP; Similar ligands found: 395
No: Ligand ECFP6 Tc MDL keys Tc
1 A 1 1
2 AMP 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 A12 0.808824 0.931507
7 AP2 0.808824 0.931507
8 BA3 0.808824 0.943662
9 SRA 0.80303 0.944444
10 AP5 0.797101 0.943662
11 B4P 0.797101 0.943662
12 HEJ 0.788732 0.971429
13 ATP 0.788732 0.971429
14 AT4 0.785714 0.931507
15 AN2 0.785714 0.957747
16 5FA 0.777778 0.971429
17 AQP 0.777778 0.971429
18 APC 0.777778 0.931507
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ADX 0.774648 0.848101
23 ACP 0.763889 0.944444
24 50T 0.763889 0.957747
25 25A 0.75641 0.971429
26 AR6 0.753425 0.943662
27 PRX 0.753425 0.917808
28 APR 0.753425 0.943662
29 ACQ 0.746667 0.944444
30 T99 0.746667 0.931507
31 TAT 0.746667 0.931507
32 SAP 0.743243 0.918919
33 AD9 0.743243 0.944444
34 AGS 0.743243 0.918919
35 RBY 0.743243 0.905405
36 ADV 0.743243 0.905405
37 ANP 0.723684 0.944444
38 ADP PO3 0.72 0.942857
39 6YZ 0.717949 0.944444
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 LMS 0.710145 0.825
43 RAB 0.709677 0.842857
44 XYA 0.709677 0.842857
45 ADN 0.709677 0.842857
46 ATF 0.705128 0.931507
47 GAP 0.701299 0.891892
48 A22 0.7 0.957747
49 SRP 0.696203 0.905405
50 7D5 0.691176 0.902778
51 A3P 0.684932 0.971014
52 A2P 0.684932 0.956522
53 ADP ALF 0.683544 0.868421
54 ALF ADP 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ADP VO4 0.675 0.930556
58 VO4 ADP 0.675 0.930556
59 OOB 0.670732 0.930556
60 9ZA 0.670732 0.906667
61 8QN 0.670732 0.930556
62 5SV 0.670732 0.87013
63 9ZD 0.670732 0.906667
64 PTJ 0.670588 0.894737
65 AOC 0.666667 0.84507
66 PAJ 0.662651 0.858974
67 4AD 0.662651 0.893333
68 A3R 0.662651 0.881579
69 A1R 0.662651 0.881579
70 AMO 0.662651 0.905405
71 5N5 0.661538 0.816901
72 DAL AMP 0.658537 0.90411
73 IMO 0.657534 0.928571
74 AHX 0.654762 0.87013
75 00A 0.654762 0.881579
76 DLL 0.654762 0.930556
77 5AS 0.653333 0.776471
78 A4D 0.651515 0.816901
79 5CD 0.651515 0.828571
80 9X8 0.647059 0.893333
81 OAD 0.647059 0.917808
82 3UK 0.647059 0.917808
83 ADP BMA 0.647059 0.891892
84 25L 0.643678 0.957747
85 PR8 0.639535 0.848101
86 WAQ 0.639535 0.881579
87 LAD 0.639535 0.858974
88 B5V 0.639535 0.905405
89 DTA 0.637681 0.808219
90 V3L 0.6375 0.971429
91 3DH 0.633803 0.794521
92 BIS 0.632184 0.906667
93 ME8 0.632184 0.8375
94 3OD 0.632184 0.917808
95 FYA 0.632184 0.930556
96 NB8 0.632184 0.87013
97 1ZZ 0.632184 0.8375
98 TXA 0.632184 0.905405
99 MTA 0.628571 0.794521
100 3AM 0.625 0.956522
101 EP4 0.623188 0.773333
102 A A 0.62069 0.971429
103 9SN 0.617977 0.87013
104 M2T 0.614286 0.753247
105 JB6 0.613636 0.881579
106 YAP 0.611111 0.893333
107 B5Y 0.611111 0.893333
108 FA5 0.611111 0.905405
109 B5M 0.611111 0.893333
110 MYR AMP 0.606742 0.814815
111 G5A 0.604938 0.776471
112 XAH 0.604396 0.8375
113 4UV 0.597826 0.893333
114 71V 0.597403 0.906667
115 ATP A A A 0.593407 0.929577
116 PAP 0.592593 0.957143
117 G3A 0.591398 0.894737
118 2AM 0.589041 0.942857
119 5X8 0.5875 0.783784
120 6RE 0.586667 0.779221
121 6C6 0.585366 0.905405
122 AFH 0.585106 0.858974
123 4UU 0.585106 0.893333
124 G5P 0.585106 0.894737
125 GA7 0.585106 0.905405
126 7D3 0.584416 0.878378
127 A5A 0.583333 0.804878
128 TSB 0.581395 0.795181
129 AMP DBH 0.580645 0.891892
130 TYR AMP 0.580645 0.868421
131 2A5 0.580247 0.891892
132 DQV 0.578947 0.930556
133 DSH 0.578947 0.74359
134 GTA 0.578947 0.860759
135 TAD 0.578947 0.858974
136 6IA 0.578313 0.858974
137 SSA 0.576471 0.776471
138 AMZ 0.575342 0.888889
139 C2R 0.575342 0.876712
140 PGS 0.575 0.857143
141 7D4 0.575 0.878378
142 ZAS 0.573333 0.786667
143 ATR 0.573171 0.942857
144 LAQ 0.572917 0.8375
145 AAM 0.571429 1
146 J7C 0.571429 0.789474
147 A3N 0.571429 0.783784
148 PPS 0.571429 0.848101
149 AIR 0.571429 0.927536
150 52H 0.569767 0.776471
151 54H 0.569767 0.785714
152 VMS 0.569767 0.785714
153 AR6 AR6 0.568421 0.916667
154 ARG AMP 0.568421 0.82716
155 7MD 0.568421 0.8375
156 YLP 0.56701 0.817073
157 48N 0.56701 0.87013
158 OVE 0.565789 0.90411
159 UPA 0.565657 0.881579
160 2SA 0.564706 0.905405
161 S4M 0.564103 0.682353
162 5CA 0.563218 0.776471
163 53H 0.563218 0.776471
164 8X1 0.563218 0.75
165 UP5 0.561224 0.893333
166 NAI 0.561224 0.881579
167 6V0 0.561224 0.87013
168 NAX 0.561224 0.848101
169 4UW 0.561224 0.858974
170 DND 0.561224 0.905405
171 TXD 0.561224 0.881579
172 NXX 0.561224 0.905405
173 NIA 0.56 0.820513
174 D5M 0.558442 0.902778
175 DA 0.558442 0.902778
176 MAO 0.556962 0.777778
177 AHZ 0.556701 0.814815
178 OMR 0.555556 0.82716
179 ITT 0.555556 0.915493
180 TYM 0.555556 0.905405
181 TXE 0.555556 0.881579
182 5AD 0.552239 0.768116
183 A2R 0.551724 0.957747
184 LPA AMP 0.55102 0.814815
185 DSZ 0.550562 0.776471
186 NSS 0.550562 0.776471
187 LSS 0.550562 0.758621
188 AP0 0.55 0.87013
189 YLC 0.55 0.8375
190 4TC 0.55 0.87013
191 YLB 0.55 0.817073
192 P5A 0.549451 0.741573
193 139 0.54902 0.848101
194 A4P 0.544554 0.819277
195 NVA LMS 0.544444 0.75
196 GJV 0.544304 0.769231
197 7D7 0.544118 0.763889
198 9K8 0.543478 0.711111
199 A7D 0.54321 0.797297
200 AF3 ADP 3PG 0.54 0.835443
201 6K6 0.539326 0.957143
202 IOT 0.539216 0.829268
203 A3G 0.538462 0.797297
204 LEU LMS 0.538462 0.75
205 A5D 0.535714 0.808219
206 7MC 0.534653 0.817073
207 T5A 0.533981 0.817073
208 ADJ 0.533981 0.82716
209 YLA 0.533981 0.817073
210 GSU 0.532609 0.776471
211 KAA 0.532609 0.75
212 7RA 0.531646 0.985507
213 SFG 0.53012 0.77027
214 SAH 0.529412 0.763158
215 HFD 0.529412 0.918919
216 AYB 0.528846 0.807229
217 CNA 0.528846 0.905405
218 N6P 0.527473 0.942029
219 8BR 0.525 0.931507
220 F2R 0.52381 0.839506
221 80F 0.523364 0.817073
222 Y3J 0.521127 0.746479
223 YSA 0.520833 0.776471
224 7RP 0.518987 0.955882
225 BTX 0.518868 0.839506
226 NAD 0.518868 0.930556
227 COD 0.518868 0.788235
228 G A A A 0.518868 0.87013
229 MHZ 0.518072 0.714286
230 SA8 0.517647 0.725
231 6AD 0.517241 0.883117
232 DZD 0.514019 0.858974
233 BT5 0.514019 0.829268
234 RMB 0.5125 0.898551
235 SAI 0.511628 0.753247
236 AV2 0.511364 0.890411
237 8PZ 0.510417 0.776471
238 A3D 0.509259 0.917808
239 A3S 0.506024 0.808219
240 3AT 0.505747 0.943662
241 SAM 0.505747 0.707317
242 SMM 0.505618 0.702381
243 NA7 0.505376 0.931507
244 4TA 0.504673 0.804878
245 AMP NAD 0.504673 0.90411
246 EEM 0.5 0.707317
247 G 0.5 0.905405
248 NEC 0.5 0.743243
249 5GP 0.5 0.905405
250 AAT 0.5 0.725
251 YLY 0.495495 0.807229
252 M24 0.495495 0.848101
253 7C5 0.494949 0.815789
254 DAT 0.494118 0.878378
255 A3T 0.494118 0.819444
256 P2P 0.493827 0.928571
257 FAI 0.493827 0.888889
258 1RB 0.493671 0.911765
259 NAE 0.491071 0.893333
260 U A 0.490909 0.906667
261 NAJ PZO 0.490909 0.846154
262 A G 0.490741 0.881579
263 TM1 0.489583 0.771084
264 A A A 0.489362 0.90411
265 A6D 0.489362 0.740741
266 PO4 PO4 A A A A PO4 0.489362 0.901408
267 S7M 0.488889 0.707317
268 DTP 0.488636 0.878378
269 RBZ 0.4875 0.873239
270 101 0.4875 0.902778
271 EAD 0.486957 0.848101
272 NAQ 0.486726 0.87013
273 U A G G 0.486239 0.881579
274 4YB 0.485149 0.758621
275 NDE 0.483051 0.931507
276 ZID 0.482456 0.917808
277 N0B 0.482456 0.817073
278 WSA 0.480769 0.785714
279 RGT 0.479592 0.931507
280 ARU 0.478723 0.835443
281 GGZ 0.478261 0.8
282 JLN 0.47561 0.863014
283 ANZ 0.475248 0.820513
284 QQY 0.475 0.837838
285 ACK 0.475 0.885714
286 NAJ PYZ 0.473684 0.804878
287 S8M 0.473118 0.779221
288 GEK 0.473118 0.734177
289 AVV 0.473118 0.87013
290 3AD 0.472973 0.828571
291 A U 0.471698 0.868421
292 P1H 0.470588 0.82716
293 0UM 0.468085 0.716049
294 RVP 0.467532 0.847222
295 649 0.466667 0.741573
296 Z5A 0.465517 0.776471
297 PMO 0.464286 0.873239
298 SXZ 0.463918 0.707317
299 62X 0.463158 0.682353
300 QQX 0.4625 0.826667
301 8Q2 0.462264 0.75
302 2VA 0.45977 0.797297
303 IMP 0.458824 0.90411
304 K15 0.458333 0.698795
305 CC5 0.458333 0.84058
306 AS 0.457831 0.855263
307 DDS 0.455556 0.851351
308 V1N 0.455446 0.943662
309 NJP 0.454545 0.918919
310 7DD 0.453488 0.957143
311 93A 0.453488 0.804878
312 G7M 0.453488 0.87013
313 3L1 0.453333 0.77027
314 3D1 0.453333 0.77027
315 EO7 0.452381 0.785714
316 NDC 0.45082 0.87013
317 FB0 0.45082 0.781609
318 0WD 0.45045 0.894737
319 NVA 2AD 0.449438 0.75641
320 26A 0.447368 0.76
321 2FA 0.447368 0.810811
322 2BA 0.447059 0.914286
323 CMP 0.447059 0.927536
324 D3Y 0.446809 0.786667
325 KB1 0.444444 0.716049
326 APU 0.444444 0.893333
327 VRT 0.444444 0.766234
328 SO8 0.444444 0.786667
329 FDA 0.443548 0.809524
330 PUA 0.443478 0.858974
331 ODP 0.441441 0.883117
332 6FA 0.44 0.817073
333 103 0.439024 0.861111
334 RP1 0.439024 0.864865
335 SP1 0.439024 0.864865
336 3NZ 0.438776 0.779221
337 A C A C 0.438596 0.846154
338 7DT 0.438202 0.957143
339 NDP 0.436364 0.894737
340 NPW 0.436364 0.860759
341 MTP 0.434211 0.727273
342 FAS 0.433071 0.82716
343 SFD 0.433071 0.712766
344 FAD 0.433071 0.82716
345 IRN 0.432432 0.867647
346 ZZB 0.432432 0.792683
347 TXP 0.432432 0.894737
348 NZQ 0.432432 0.883117
349 62F 0.430769 0.8375
350 FNK 0.430769 0.781609
351 128 0.429907 0.752941
352 1DA 0.428571 0.842857
353 6MD 0.428571 0.805556
354 PAX 0.428571 0.82716
355 SLU 0.426087 0.767442
356 XNP 0.424779 0.848101
357 12D 0.424528 0.761905
358 5F1 0.423077 0.72973
359 ETB 0.422414 0.809524
360 DCA 0.422414 0.8
361 F0P 0.422018 0.725
362 WMP 0.421053 0.864865
363 GUO 0.421053 0.864865
364 FAY 0.416667 0.8375
365 38Y 0.415929 0.804878
366 5J9 0.415842 0.728395
367 COA 0.415254 0.8
368 0T1 0.415254 0.8
369 KH3 0.415094 0.690476
370 U A C C 0.413793 0.857143
371 N01 0.413793 0.90411
372 FMP 0.413793 0.871429
373 RFL 0.413534 0.797619
374 NMN AMP PO4 0.412281 0.868421
375 GP2 0.408602 0.858974
376 GDP 0.408602 0.893333
377 NAP 0.408333 0.944444
378 NOC 0.407895 0.760563
379 2ER 0.405941 0.831169
380 1PR 0.405941 0.820513
381 P5F 0.405797 0.8
382 CAO 0.404959 0.772727
383 TAP 0.404959 0.906667
384 30N 0.404959 0.731183
385 COS 0.404959 0.781609
386 AMX 0.404959 0.809524
387 XMP 0.402299 0.891892
388 G2P 0.402062 0.858974
389 APC G U 0.401709 0.833333
390 U A A U 0.401639 0.906667
391 CMX 0.401639 0.8
392 NA0 0.401639 0.931507
393 SCO 0.401639 0.8
394 9JJ 0.40146 0.8375
395 F2N 0.4 0.790698
Ligand no: 2; Ligand: GLN; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 GLN 1 1
2 DGN 1 1
3 GGL 0.62963 0.821429
4 GLU 0.62963 0.821429
5 DGL 0.62963 0.821429
6 ONL 0.586207 0.741935
7 HGA 0.53125 0.75
8 DAB 0.518519 0.65625
9 HSE 0.518519 0.6875
10 MEQ 0.515152 0.870968
11 API 0.5 0.793103
12 NVA 0.5 0.666667
13 HCS 0.5 0.645161
14 ASN 0.481481 0.833333
15 UN1 0.46875 0.793103
16 11C 0.46875 0.793103
17 ABA 0.461538 0.62069
18 DBB 0.461538 0.62069
19 ORN 0.451613 0.677419
20 C2N 0.444444 0.6
21 NPI 0.441176 0.766667
22 NLE 0.4375 0.625
23 26P 0.428571 0.71875
24 ASP 0.428571 0.7
25 DAS 0.428571 0.7
26 3GC 0.425 0.794118
27 DLY 0.424242 0.65625
28 DHH 0.411765 0.709677
29 LYS 0.411765 0.636364
30 BGT 0.405405 0.685714
31 2NP 0.405405 0.611111
32 AS2 0.4 0.75
33 3O3 0.4 0.666667
34 ONH 0.4 0.605263
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CT9; Ligand: GLN; Similar sites found with APoc: 147
This union binding pocket(no: 1) in the query (biounit: 1ct9.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1TLL FMN 1.08499
2 4P8K 38C 1.25
3 4P8K FAD 1.25
4 1U7Z PMT 1.32743
5 5MBX FAD 1.40845
6 5MBX SP5 1.40845
7 6C1S EFV 1.44665
8 1NW4 IMH 1.44928
9 4KRI SAH 1.61663
10 3KVY R2B 1.61812
11 2XTN GTP 1.7094
12 5EB4 FAD 1.8797
13 2F5X ASP 1.92308
14 4F2Q QUS 1.93798
15 1EK6 NAI 2.01149
16 1EK6 UPG 2.01149
17 4GLL NAD 2.07715
18 4MOB COA 2.10843
19 1ZBQ NAD 2.14067
20 1F0X FAD 2.16998
21 1GZ6 NAI 2.19436
22 3QJ4 FAD 2.33918
23 2BII MTV 2.35849
24 4ZTE 4RL 2.36967
25 2A9D MTE 2.41935
26 1TL2 NDG 2.54237
27 1RZM E4P 2.66272
28 5FUW QBT 2.74725
29 5FUW THM 2.74725
30 1V5Y FMN 2.76498
31 1V5Y 4HC 2.76498
32 4AUT FAD 2.77778
33 4UXL 5P8 2.79503
34 2VVM FAD 2.82828
35 2VVL FAD 2.82828
36 5TTJ FAD 2.85714
37 5DX8 SFG 2.86533
38 5DWQ SFG 2.86533
39 5DX1 SFG 2.86533
40 5DXA SFG 2.86533
41 6EJI UD2 2.94906
42 3ELW SAM 3
43 2ZX2 RAM 3.07692
44 1X7D NAD 3.14286
45 5T8O 76Z 3.15186
46 3H8C NSZ 3.18182
47 3WYF GTP 3.19635
48 4M3P HCS 3.20197
49 3LCV SAM 3.20285
50 3EF0 ALF 3.22581
51 1UDB NAD 3.25444
52 1UDB UFG 3.25444
53 4DYG MES 3.27869
54 5WA0 MSS 3.28767
55 3LU1 NAD 3.2967
56 1Y3A GDP 3.34347
57 5YW5 ADE 3.35196
58 2BVE PH5 3.36134
59 1UNH IXM 3.36538
60 5DT6 GLU 3.37079
61 4IA6 EIC 3.4358
62 6FCX SAH 3.4358
63 1US5 GLU 3.50318
64 1R6D NAD 3.56083
65 5H4S RAM 3.87324
66 4AT0 FAD 3.92157
67 3E5H GNP 3.93258
68 1WA5 GTP 3.97727
69 1PTR PRB 4
70 6ECT SAM 4.04984
71 3F5O UOC COA 4.05405
72 1I2B USQ 4.20792
73 1I2B NAD 4.20792
74 1I2B UPG 4.20792
75 5AHS FAD 4.2394
76 1SB8 UD2 4.26136
77 1SB8 NAD 4.26136
78 2PHN GDP 4.33071
79 1WY7 SAH 4.34783
80 2PHX MAN MAN 4.36508
81 6F9Q NAD 4.41176
82 4XTX 590 4.44444
83 4O48 ASP 4.51807
84 5XLS URA 4.5977
85 4P5E N6P 4.60526
86 1JQ3 AAT 4.72973
87 6AU6 GDP 4.77454
88 1IYE PGU 4.85437
89 5N2D 8J8 4.86111
90 2Z48 A2G 4.86111
91 1ORR NAD 4.89914
92 1KEW TYD 4.98615
93 1KEW NAD 4.98615
94 1WF3 GNP 5.31561
95 6DEF GCP 5.37084
96 4HPP GLU 5.41761
97 4ZRN NAD 5.44872
98 2A8Y MTA 5.55556
99 5G5G FAD 5.66038
100 4KXL 6C6 5.92105
101 4ZFL 4NK 5.98291
102 6BWL NAD 6.09756
103 1SQL GUN 6.16438
104 1OC2 NAD 6.32184
105 1OC2 TDX 6.32184
106 2GCE RFC 6.38889
107 2GCE SFC 6.38889
108 1KQB BEZ 6.45161
109 3OVR 5SP 6.57895
110 3WYG GTP 6.57895
111 2C0U FAD NBT 6.60592
112 3HQ9 OXL 6.66667
113 1XDY MTE 7.04698
114 3KO8 NAD 7.05128
115 3BJK CIT 7.18954
116 1Q3A NGH 7.27273
117 2XTZ GSP 7.62712
118 1W4R TTP 7.69231
119 5UWW GNP 7.69231
120 5UWU GNP 7.69231
121 6DNT NAD 8.13953
122 3BU5 ATP 8.16993
123 1Z08 GNP 8.23529
124 3JQM GTP 8.28025
125 4NZ6 DGL 8.30671
126 4NZ6 DLY 8.30671
127 3GJX GTP 8.31826
128 5IFK HPA 8.65385
129 2GJ8 ALF GDP 8.72093
130 4TQK NAG 9.60591
131 4B8V NDG NAG NAG NAG 9.64912
132 4R4U COA 10.7266
133 2F5Z FAD 10.9375
134 4CL6 7SB 11.1111
135 1J6W MET 12
136 5TP0 BRN 12.0536
137 1FQK GDP 12.9252
138 3FXU TSU 13.7705
139 4YAG NAI 15.2249
140 3C6K SPD 16.273
141 3C6K MTA 16.273
142 1XVB BHL 17.4807
143 1RM6 FAD 19.4444
144 1FQJ GDP 23.8095
145 4WB6 ATP 25
146 1XFF GLU 30
147 6FX2 FUC C4W NAG BMA MAN NAG GAL 30.2326
Pocket No.: 2; Query (leader) PDB : 1CT9; Ligand: AMP; Similar sites found with APoc: 197
This union binding pocket(no: 2) in the query (biounit: 1ct9.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3HGM ATP None
2 2FNU PMP UD1 1.06667
3 4AQL TXC 1.47059
4 2XVF FAD 1.50862
5 1OMO NAD 1.5528
6 2GV8 NDP 1.566
7 2WYA HMG 1.73913
8 2NPX FAD 1.78971
9 4NMC FAD 1.80832
10 4NMC 2OP 1.80832
11 1NAA 6FA 1.84843
12 1NAA ABL 1.84843
13 3LGS ADE 1.87266
14 1P9P SAH 1.91571
15 3RHJ NAP 1.93424
16 3Q9T FAY 1.98915
17 4MOP 2H5 1.98915
18 3DR4 G4M 2.04604
19 1V2X SAM 2.06186
20 1O0S NAI 2.16998
21 1KNR FAD 2.22222
22 1KOR SIN 2.25
23 1KOR ARG 2.25
24 1KOR ANP 2.25
25 4L2I NAD 2.28137
26 4L2I FAD 2.28137
27 3GDN FAD 2.30326
28 2BJK NAD 2.32558
29 5DOZ NDP 2.36686
30 3L4S NAD 2.38095
31 3L4S 3PG 2.38095
32 6F3M NAD 2.3913
33 1I00 D16 2.41379
34 1I00 UMP 2.41379
35 4A0M NAD 2.41935
36 1VKO NAD 2.42086
37 4MCC 21X 2.43902
38 4RGQ NDP 2.44565
39 4RGQ 13P 2.44565
40 1QPR PPC 2.46479
41 5UAV NDP 2.48447
42 5UAV TFB 2.48447
43 5YU3 PRO 2.61628
44 5YU3 NAD 2.61628
45 4PVD NDP 2.63158
46 4BVA NDP 2.68657
47 4BVA T3 2.68657
48 3HAZ NAD 2.71248
49 1V8B NAD 2.71399
50 5ZYN FAD 2.76008
51 2VVL FAD 2.82828
52 6BQC LOP 2.87206
53 5A7Y SAH 2.88462
54 3BBH SFG 2.92683
55 1HSL HIS 2.94118
56 3ZF8 GDP 2.95082
57 1GPM AMP 3.04762
58 4FK7 P34 3.05677
59 5NMX FAD 3.05882
60 5N5S NAP 3.1068
61 2QE0 NAP 3.15789
62 6GEW SAH 3.17073
63 6GEW SFG 3.17073
64 5O96 SAM 3.26531
65 5N0O SAM 3.26633
66 4I3V NAD 3.27869
67 3O7B SAH 3.27869
68 3QWB NDP 3.29341
69 1RHC F42 ACN 3.33333
70 5U3B 7TD 3.34448
71 5ZZ6 NAD 3.36538
72 2C5S AMP 3.38983
73 6B2M COA 3.4965
74 5MW4 5JU 3.59281
75 2WSI FAD 3.59477
76 3NK7 SAM 3.61011
77 6MJF SAH 3.62694
78 2YYJ FAD 3.7422
79 2GMH FAD 3.79747
80 4M73 M72 3.85757
81 4M73 SAH 3.85757
82 5BVE 4VG 3.87812
83 4AT0 FAD 3.92157
84 1RM0 D6P 3.93996
85 1RM0 NAI 3.93996
86 1VJY 460 3.9604
87 3COW 52H 3.98671
88 6ECT SAM 4.04984
89 6EK3 OUL 4.0724
90 2VAP GDP 4.12088
91 1N9G NAP 4.14508
92 1VCE SAH 4.15094
93 1WNG SAH 4.15094
94 3G5N PB2 4.20168
95 3HQP ATP 4.20842
96 3HQP OXL 4.20842
97 5Y77 FAD 4.22833
98 1YB5 NAP 4.2735
99 1MJH ATP 4.32099
100 2PHN GDP 4.33071
101 1VMK GUN 4.33213
102 5KF6 FAD 4.33996
103 3ESS 18N 4.34783
104 1T57 FMN 4.36893
105 4WAS COO 4.3956
106 4WAS NAP 4.3956
107 1OFD FMN 4.5208
108 2RGJ FAD 4.72637
109 4NBI D3Y 4.87805
110 1C3X 8IG 4.88722
111 4RRG A3T 4.96454
112 3IHG FAD 5.04673
113 6EMU SAM 5.07614
114 2WOX NDP 5.11247
115 3GYQ SAM 5.14706
116 4ONA UW1 5.16529
117 3AIA SAM 5.21327
118 3FIU AMP 5.22088
119 5Z21 NAI 5.30726
120 5F7J ADE 5.3125
121 5MM0 GDD 5.34759
122 5IUW NAD 5.4326
123 5EOW FAD 5.67901
124 1O97 FAD 5.68182
125 1O97 AMP 5.68182
126 4R2M ANP 5.6962
127 3BJE URA 5.73066
128 4UTG ANP 5.78035
129 3NUB UD0 5.84958
130 2J9D AMP 5.88235
131 4GLJ RHB 6.06061
132 5WS9 ATP 6.10526
133 5WS9 AMP 6.10526
134 2OQ2 A3P 6.13027
135 3DLA NXX 6.14828
136 4OIT MAN 6.19469
137 5JE8 NAD 6.29139
138 3S2U UD1 6.30137
139 2DT5 NAD 6.63507
140 3B4Y F42 6.74157
141 2G50 PYR 6.79245
142 3PD2 A3S 6.80272
143 1O94 AMP 6.87161
144 4LH0 GLV 6.87161
145 1KQP ADJ 7.01107
146 3OII SAH 7.11462
147 2CVQ NDP 7.33945
148 2PZ8 APC 7.39437
149 1XNG ATP 7.46269
150 1EFV AMP 7.61905
151 1EFV FAD 7.61905
152 1K97 ASP 7.9566
153 1K97 CIR 7.9566
154 1MXI SAH 8.125
155 2FB3 GTP 8.23529
156 1U8X NAD 8.26271
157 4QAC KK3 8.29493
158 4JAL SAH 8.38323
159 2BO4 FLC 8.56423
160 4CNE SAH 8.61423
161 5IFK HPA 8.65385
162 5AHW CMP 8.84354
163 4FXQ G9L 9.13043
164 1E6E FAD 9.375
165 2GC0 PAN 9.57447
166 3G6K FAD 9.74026
167 3G6K POP 9.74026
168 4CNG SAH 9.80392
169 6FA4 D1W 9.82659
170 5H5F SAM 9.82906
171 4F7E 0SH 10.9541
172 1SBR VIB 11
173 5TWJ SAM 11.1111
174 6GMR F4K 11.3402
175 5YSI NCA 11.8421
176 3RK1 ATP 12.2363
177 3RK0 AMP 12.2363
178 4JK3 NAD 12.3552
179 4J4H NAI 12.7413
180 4J4H 1J1 12.7413
181 2BOS GLA GAL GLC 13.2353
182 2BOS GLA GAL GLC NBU 13.2353
183 1WXI AMP 13.8182
184 3GGO NAI 14.3312
185 3GGO ENO 14.3312
186 3C1X CKK 14.4772
187 5G3U FDA 14.8936
188 2YY8 SAM 15.4229
189 2YY8 MTA 15.4229
190 5APG EEM 15.6757
191 5OCG 9R5 16.4021
192 1RM6 PCD 19.4444
193 3DCM SAM 19.7917
194 4RR7 A3S 24.2647
195 1Q19 APC 30.4175
196 1JGT CMA 33.5283
197 1JGT APC 33.5283
Pocket No.: 3; Query (leader) PDB : 1CT9; Ligand: GLN; Similar sites found with APoc: 60
This union binding pocket(no: 3) in the query (biounit: 1ct9.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2FNU PMP UD1 1.06667
2 4IV9 FAD 1.80832
3 3WQQ IB3 1.84426
4 3WQQ NDP 1.84426
5 1YY5 FAD 1.94932
6 1V97 MTE 1.98915
7 4RJK TPP 1.98915
8 1GV0 NAD 2.25806
9 1N2X SAM 2.32558
10 4M0R 644 2.63852
11 1OSS BEN 2.69058
12 1P4V GLY 2.71186
13 2QQ0 TMP 2.71739
14 2QQ0 ADP 2.71739
15 5ZYN FAD 2.76008
16 1GJC 130 2.7668
17 1HSL HIS 2.94118
18 3CTY FAD 3.1348
19 2B8T THM 3.13901
20 5ZEC NAP 3.21637
21 1GR0 NAD 3.81471
22 4OUJ LBT 3.90879
23 4RSL FAD 4.04494
24 3DAG FEG 4.18994
25 3DOO SKM 4.33213
26 3MKH FAD 4.56621
27 2Z48 NGA 4.86111
28 3WLE NAD 4.98534
29 5F7J ADE 5.3125
30 2VBF TPP 5.96745
31 2ORV 4TA 5.98291
32 4J56 FAD 6.14035
33 3MKN DNB 6.32911
34 5DLY 5D7 6.39098
35 5DLY SAH 6.39098
36 3KIF GDL 6.60377
37 1R27 MGD 6.69078
38 3RKR NAP 6.87023
39 5LJ0 6XX 6.92308
40 2P3C 3TL 7.07071
41 1APZ ASP 7.0922
42 1A0J BEN 7.62332
43 5UWS GNP 7.69231
44 5UWR GNP 7.69231
45 5DHF GNP 7.69231
46 5UWJ GNP 7.69231
47 5UWT GNP 7.69231
48 5UWP GNP 7.69231
49 5DI9 GNP 7.69231
50 1CS4 GSP 8
51 3FUR Z12 8.08823
52 3HRD FAD 8.10811
53 3HRD NIO 8.10811
54 4PYA 2X3 8.69565
55 3NRZ FAD 9.14634
56 1L3I SAH 9.89583
57 1RTF BEN 11.1111
58 1TAD GDP 12.963
59 1TAD ALF 12.963
60 4JEM C5P 14.7059
Pocket No.: 4; Query (leader) PDB : 1CT9; Ligand: AMP; Similar sites found with APoc: 84
This union binding pocket(no: 4) in the query (biounit: 1ct9.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4Z87 5GP 1.14286
2 4ONQ SFG 1.40056
3 5OC1 FAD 1.44665
4 2ZXI FAD 1.44665
5 4OYA 1VE 1.48936
6 4IV9 TSR 1.80832
7 4MIG G3F 1.80832
8 3TLJ SAH 1.87668
9 3N9R TD3 1.9544
10 3IOI 1GW 2.01342
11 2AOT SAH 2.05479
12 1JQD SAH 2.05479
13 6C8R EQV 2.11082
14 1IHU ADP 2.35081
15 1WLE SRP 2.53165
16 1W5F G2P 2.54958
17 1G51 AMP 2.58621
18 1RQ2 CIT 2.6178
19 5CUQ NSC 2.62172
20 9LDB NAD 2.71084
21 4ZUL UN1 2.72904
22 1ELI PYC 2.82776
23 3QPB URA 2.83688
24 5TTJ FAD 2.85714
25 6G47 SIA 2.87081
26 1YP4 ADP 2.88248
27 1EFY BZC 3.14286
28 1T90 NAD 3.29218
29 1COY AND 3.5503
30 5XVH NAP 3.59477
31 1O5Q PYR 3.60656
32 2HJR APR 3.65854
33 2R75 01G 3.84615
34 6AA8 NAD 3.97351
35 4RSL FAD 4.04494
36 5ZI2 NAD 4.05797
37 3B8X G4M 4.10256
38 5DM1 SAH 4.11985
39 5DM1 5D7 4.11985
40 1Q9I TEO 4.15913
41 1Q9I FAD 4.15913
42 1Z82 G3H 4.1791
43 3W0O ADP 4.29799
44 3W0O HY0 4.29799
45 5KF6 NAD 4.33996
46 4AZJ SEP PLP 4.44444
47 1OFD AKG 4.5208
48 1MV8 NAD 4.58716
49 3T4L ZEA 4.81482
50 2Z49 AMG 4.86111
51 2Z48 A2G 4.86111
52 2G37 FAD 4.89297
53 1ORR NAD 4.89914
54 1WDK NAD 5.12821
55 5IUW IAC 5.4326
56 1SOW NAD 5.4878
57 1ODJ GMP 5.53191
58 4A1O JLN 5.54493
59 3QLM PLM 5.64516
60 1OFU GDP 5.88235
61 5YF1 8V0 6.07735
62 2C6Q IMP 6.55271
63 2C6Q NDP 6.55271
64 4DXD GDP 6.56566
65 2RHO GSP 6.76923
66 5W4W 9WG 6.94864
67 4JWH SAH 7.02875
68 1KY8 NAP 7.58483
69 4PLG OXM 8.08383
70 4PLG NAI 8.08383
71 4PLT OXM 8.45921
72 4PLT NAI 8.45921
73 5XDT MB3 8.76623
74 5XDT GDP 8.76623
75 1B09 PC 9.2233
76 5DP2 NAP 10.2339
77 4QTU SAM 10.3704
78 4WOP CTP 11.1111
79 5Y8L NAD 14.2373
80 4BLW AMP 14.8789
81 4BLW SAH 14.8789
82 2VUT NAD 16.2791
83 2V92 ATP 20.6897
84 6GNO XDI 35.5556
Pocket No.: 5; Query (leader) PDB : 1CT9; Ligand: GLN; Similar sites found with APoc: 87
This union binding pocket(no: 5) in the query (biounit: 1ct9.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4Z87 5GP 1.14286
2 3FV1 DYH 1.17188
3 4IYO NAK 1.51134
4 1HV9 COA 1.53509
5 1UTJ ABN 1.65289
6 1Z6Z NAP 1.77305
7 4MIG G3F 1.80832
8 1SKQ GDP 1.83908
9 4MOP 2H5 1.98915
10 5AA4 6X4 2.21729
11 4PVR ASP 2.25806
12 1VGR COA 2.34192
13 2IHK CSF 2.35081
14 2A0W DIH 2.42215
15 2JAP NDP 2.42915
16 2NUO BGC 2.45902
17 1KOJ PAN 2.53165
18 5TH5 MET 2.6616
19 2AE2 PTO 2.69231
20 2AE2 NAP 2.69231
21 2QQ0 THM 2.71739
22 2XK9 XK9 2.79503
23 5T9F NAP 2.95203
24 1VL8 NAP 2.99625
25 1GPM CIT 3.04762
26 2GJN NIS 3.04878
27 1U7T TDT 3.06513
28 1X7D ORN 3.14286
29 2CFC NAD 3.2
30 1ICV NIO 3.22581
31 4NTD FAD 3.23529
32 3R7F CP 3.28947
33 4NBT NAD 3.33333
34 2OM2 GDP 3.38462
35 4QYS PLP SEP 3.39367
36 1RYI GOA 3.40314
37 1RYI FAD 3.40314
38 2RH4 EMO 3.61011
39 1Z45 NAD 3.61664
40 4CQM NAP 3.68852
41 1C0I FAD 3.85675
42 1C0I BE2 3.85675
43 3VHE 42Q 3.89972
44 5C2F JTH 3.95683
45 5GWT SIN 3.95683
46 5GWT NAD 3.95683
47 2OYS FMN 4.13223
48 1T9M FMN 4.20561
49 1B8O IMH 4.22535
50 3A28 NAD 4.26357
51 5CEO 50D 4.33333
52 2QV7 ADP 4.45104
53 2GDZ NAD 4.49438
54 2ZJ3 G6P 4.53333
55 6HOY TSN 4.63576
56 2DKN NAI 4.70588
57 5GVH FMN 4.77707
58 5EJ2 NAD 4.87013
59 4LZJ 22H 4.9505
60 1GXS BEZ 5.06329
61 1Z0N BCD 5.20833
62 1IY8 NAD 5.24345
63 1H82 FAD 5.50847
64 4FN4 NAD 5.51181
65 4NBU NAI 6.4
66 5NI5 8YB 6.59722
67 1GEG NAD 6.64062
68 3BF8 MLA 6.66667
69 6ESN BWE 7.11611
70 1PVN MZP 7.44681
71 3RJ5 NAD 7.87402
72 1NFQ NAI 8.07692
73 1E3W NAD 8.81226
74 1E6W NAD 8.84615
75 3A7R LAQ 8.90208
76 4LY9 S6P 9.04159
77 4LY9 1YY 9.04159
78 1MOQ GLP 9.23913
79 5AIP 4HP 9.58904
80 2XDQ MGX 9.58904
81 3S43 478 10.101
82 2FNA ADP 10.6443
83 2WSB NAD 11.811
84 4AMV F6R 13.0199
85 5G3U FDA 14.8936
86 6CI9 F3V 15.8301
87 2JAH NDP 17.004
Pocket No.: 6; Query (leader) PDB : 1CT9; Ligand: AMP; Similar sites found with APoc: 41
This union binding pocket(no: 6) in the query (biounit: 1ct9.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4Z87 GDP 1.14286
2 3CW9 AMP 1.38889
3 6H3O FAD 1.44665
4 4Z0G 5GP 1.45278
5 4UP4 GAL NAG 1.49626
6 3OQJ 3CX 1.55642
7 3OND NAD 1.84426
8 3OND ADN 1.84426
9 5EB4 FAD 1.8797
10 3C3N FMN 1.92308
11 5HCY 60D 2.1148
12 1JG9 GLC 2.16998
13 6F97 FAD 2.25989
14 3NT6 FAD 2.35081
15 4CIB 7UZ 2.63736
16 2HK9 SKM 2.90909
17 5HWO HMG 3.09524
18 4OOE NDP 3.21782
19 5WXU FLC 3.34029
20 2A92 NAI 3.42679
21 1OVD ORO 3.53698
22 1OVD FMN 3.53698
23 1COY FAD 3.5503
24 4R74 F6P 3.73832
25 4YBN FAD 4.01786
26 1IID NHM 4.2654
27 1C4Q GLA GAL BGC 4.34783
28 1K27 MTM 4.59364
29 6D6L FY4 4.70588
30 1G2O IMH 4.85075
31 2A8Y MTA 5.55556
32 1PZG A3D 6.34441
33 5O5Y GLC 7.32759
34 4QAR ADE 7.9602
35 4TQK NAG 9.60591
36 4LOO SB4 10.3448
37 5G3U ITW 14.8936
38 5O0B 9FE 16.6667
39 3OU2 SAH 19.7248
40 4JX1 CAH 20.354
41 4JX1 CAM 20.354
Pocket No.: 7; Query (leader) PDB : 1CT9; Ligand: AMP; Similar sites found with APoc: 31
This union binding pocket(no: 7) in the query (biounit: 1ct9.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6FUL PG0 0.94162
2 5KD6 LBU 1.43198
3 3VRY B43 1.54185
4 2XVD AS6 1.65563
5 2X6T NAP 1.68067
6 3LGS SAH 1.87266
7 1EQ2 NAP 1.93548
8 3GDN HBX 2.30326
9 4YJK URA 2.38095
10 1OBB NAD 2.5
11 1ZOS MTM 2.6087
12 3R96 AMP 2.65957
13 3R96 ACO 2.65957
14 3HAZ FAD 2.71248
15 5AHM IMP 2.75
16 6GWR FEW 2.85714
17 1RJW ETF 3.53982
18 3SSO SAH 4.29594
19 5NIU 8YZ 5.46875
20 5F6U 5VK 5.73248
21 5M42 FMN 5.73477
22 4I9A NCN 5.90278
23 4K7O EKZ 6.54762
24 4UBT 3G6 6.76692
25 4KBA 1QM 6.94864
26 4ZVV NAD 7.22892
27 4ZVV GN0 7.22892
28 6AYR BIG 7.56302
29 4BMX ADE 8.36653
30 5IH9 6BF 8.65672
31 4M1U MBG A2G 14.2857
Pocket No.: 8; Query (leader) PDB : 1CT9; Ligand: GLN; Similar sites found with APoc: 70
This union binding pocket(no: 8) in the query (biounit: 1ct9.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 6D6Y SAH 1.14723
2 4S28 SAH 1.26582
3 4S28 AIR 1.26582
4 5OC1 FAD 1.44665
5 3A2Q ACA ACA 1.62272
6 3GD8 GOL 1.79372
7 4X7R UDP 1.82556
8 4X7R 3YW 1.82556
9 5CMK GLU 1.9305
10 3LL5 ATP 2.00803
11 5OGX FAD 2.08333
12 1U6R IOM 2.10526
13 5ETJ IM5 2.16049
14 4UXH T5A 2.17391
15 1JE1 GMP 2.54237
16 5MR6 FAD 2.66344
17 5TA6 79D 2.71248
18 1UM0 FMN 2.73973
19 5DMZ ADP 2.73973
20 4IDT T28 3.08989
21 1SVK ALF GDP 3.11615
22 1U9Q 186 3.25581
23 4X6I 3Y1 3.25581
24 3FRH SAH 3.55731
25 3F4F UMP 3.59281
26 6EXO C3E 3.72093
27 1HXD BTN 3.73832
28 5Y80 IRE 4.05405
29 3TG5 SAH 4.15704
30 5WP5 SAH 4.27699
31 1OFD FMN 4.5208
32 1OFD AKG 4.5208
33 5WQP NAP 4.70085
34 6ECW SAH 4.7619
35 1G2O IMH 4.85075
36 2Z49 AMG 4.86111
37 4ONC 40B 4.92958
38 1YKI NFZ 5.06912
39 1YKI FMN 5.06912
40 5HRA DAS 5.10638
41 1WDK ACO 5.12821
42 3ORF NAD 5.17928
43 6GIU L69 5.41516
44 5NIU 8YZ 5.46875
45 1ZCB GDP 5.52486
46 4CZG QH3 5.74713
47 3KFC 61X 5.92885
48 2MAS PIR 6.36943
49 4UBT 3G6 6.76692
50 5VIT MLI 7.07071
51 2YAB AMP 7.47922
52 1VRP IOM 7.61155
53 2PZM UDP 7.87879
54 2PZM NAD 7.87879
55 2P4Y C03 7.94224
56 5NB7 8NQ 8.26087
57 5GM1 SAH 8.41751
58 1ATL 0QI 9.40594
59 4H2D FMN 9.69697
60 4O0L NDP 11.2727
61 3Q87 SAM 12
62 3VXE DPN PRO ARG 13.8889
63 1TMT DPN PRO ARG 13.8889
64 5APG EEM 15.6757
65 4O97 NTX 16.5975
66 5EIN NAP 16.6667
67 2A5F GTP 17.1429
68 4DQ2 BTX 17.378
69 1N07 ADP 19.0184
70 4R57 ACO 21.0227
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