Receptor
PDB id Resolution Class Description Source Keywords
1CS0 2 Å EC: 6.3.5.5 CRYSTAL STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE COMPLEXE CYS269 IN THE SMALL SUBUNIT WITH THE TETRAHEDRAL MIMIC L-GLG AMMA-SEMIALDEHYDE ESCHERICHIA COLI TETRAHEDRAL ANALOG AMIDOTRANSFERASE SUBSTRATE CHANNELING
Ref.: THE SMALL SUBUNIT OF CARBAMOYL PHOSPHATE SYNTHETASE SNAPSHOTS ALONG THE REACTION PATHWAY. BIOCHEMISTRY V. 38 16158 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:5000;
A:5006;
C:5023;
C:5029;
E:5046;
E:5052;
G:5071;
G:5077;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
CL A:5011;
A:5012;
A:5013;
A:5014;
A:5015;
A:5018;
B:5016;
B:5017;
C:5035;
C:5036;
C:5037;
C:5038;
C:5039;
D:5040;
D:5041;
E:5058;
E:5059;
E:5060;
E:5061;
E:5062;
F:5063;
F:5064;
G:5083;
G:5084;
G:5085;
G:5086;
G:5087;
H:5088;
H:5089;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
K A:5003;
A:5004;
A:5008;
A:5009;
A:5019;
A:5021;
A:5022;
B:5020;
C:5026;
C:5027;
C:5031;
C:5032;
C:5042;
C:5044;
C:5045;
D:5043;
E:5049;
E:5050;
E:5054;
E:5055;
E:5065;
E:5067;
E:5068;
E:5069;
F:5066;
G:5074;
G:5075;
G:5079;
G:5080;
G:5090;
G:5092;
G:5093;
H:5091;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
39.098 K [K+]
MN A:5001;
A:5002;
A:5007;
C:5024;
C:5025;
C:5030;
E:5047;
E:5048;
E:5053;
G:5072;
G:5073;
G:5078;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
NET A:5094;
C:5034;
E:5057;
G:5082;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
130.251 C8 H20 N CC[N+...
ORN A:5010;
C:5033;
E:5056;
G:5081;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
132.161 C5 H12 N2 O2 C(C[C...
PO4 A:5005;
C:5028;
E:5051;
E:5070;
G:5076;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1T36 2.1 Å EC: 6.3.5.5 CRYSTAL STRUCTURE OF E. COLI CARBAMOYL PHOSPHATE SYNTHETASE SUBUNIT MUTANT C248D COMPLEXED WITH URIDINE 5'-MONOPHOSPHAT ESCHERICHIA COLI CHANNELING PYRIMIDINE BIOSYNTHESIS ARGININE BIOSYNTHESIS
Ref.: LONG-RANGE ALLOSTERIC TRANSITIONS IN CARBAMOYL PHOS SYNTHETASE. PROTEIN SCI. V. 13 2398 2004
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1CS0 - ORN C5 H12 N2 O2 C(C[C@@H](....
2 1C30 - ORN C5 H12 N2 O2 C(C[C@@H](....
3 1C3O - GLN C5 H10 N2 O3 C(CC(=O)N)....
4 1M6V - ORN C5 H12 N2 O2 C(C[C@@H](....
5 1BXR - ORN C5 H12 N2 O2 C(C[C@@H](....
6 1KEE - ORN C5 H12 N2 O2 C(C[C@@H](....
7 1A9X - ORN C5 H12 N2 O2 C(C[C@@H](....
8 1JDB - GLN C5 H10 N2 O3 C(CC(=O)N)....
9 1CE8 - IMP C10 H13 N4 O8 P c1nc2c(n1[....
10 1T36 Kd = 9 uM U C9 H13 N2 O9 P O=C1N(C2OC....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1CS0 - ORN C5 H12 N2 O2 C(C[C@@H](....
2 1C30 - ORN C5 H12 N2 O2 C(C[C@@H](....
3 1C3O - GLN C5 H10 N2 O3 C(CC(=O)N)....
4 1M6V - ORN C5 H12 N2 O2 C(C[C@@H](....
5 1BXR - ORN C5 H12 N2 O2 C(C[C@@H](....
6 1KEE - ORN C5 H12 N2 O2 C(C[C@@H](....
7 1A9X - ORN C5 H12 N2 O2 C(C[C@@H](....
8 1JDB - GLN C5 H10 N2 O3 C(CC(=O)N)....
9 1CE8 - IMP C10 H13 N4 O8 P c1nc2c(n1[....
10 1T36 Kd = 9 uM U C9 H13 N2 O9 P O=C1N(C2OC....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1CS0 - ORN C5 H12 N2 O2 C(C[C@@H](....
2 1C30 - ORN C5 H12 N2 O2 C(C[C@@H](....
3 1C3O - GLN C5 H10 N2 O3 C(CC(=O)N)....
4 1M6V - ORN C5 H12 N2 O2 C(C[C@@H](....
5 1BXR - ORN C5 H12 N2 O2 C(C[C@@H](....
6 1KEE - ORN C5 H12 N2 O2 C(C[C@@H](....
7 1A9X - ORN C5 H12 N2 O2 C(C[C@@H](....
8 1JDB - GLN C5 H10 N2 O3 C(CC(=O)N)....
9 1CE8 - IMP C10 H13 N4 O8 P c1nc2c(n1[....
10 1T36 Kd = 9 uM U C9 H13 N2 O9 P O=C1N(C2OC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
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 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
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 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Ligand no: 2; Ligand: ORN; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 ORN 1 1
2 DLY 0.714286 0.961538
3 API 0.653846 0.785714
4 DAB 0.615385 0.888889
5 NLE 0.566667 0.724138
6 2YH 0.564103 0.757576
7 11C 0.548387 0.724138
8 UN1 0.548387 0.724138
9 0TF 0.536585 0.714286
10 DHH 0.53125 0.7
11 LYS 0.53125 0.925926
12 ONH 0.515152 0.735294
13 NPI 0.515152 0.7
14 HSE 0.5 0.733333
15 2RA 0.5 0.785714
16 26P 0.5 0.65625
17 6CL 0.5 0.758621
18 CIR 0.485714 0.735294
19 NVA 0.482759 0.714286
20 HCS 0.482759 0.814815
21 ARG 0.472222 0.757576
22 DAR 0.472222 0.757576
23 MLY 0.472222 0.631579
24 MLZ 0.472222 0.757576
25 2NP 0.472222 0.6
26 2YJ 0.465116 0.714286
27 2YG 0.454545 0.714286
28 MSE 0.454545 0.636364
29 GLU 0.451613 0.689655
30 DGL 0.451613 0.689655
31 GGL 0.451613 0.689655
32 DGN 0.451613 0.677419
33 GLN 0.451613 0.677419
34 SER 0.444444 0.689655
35 DSN 0.444444 0.689655
36 ABA 0.444444 0.666667
37 DBB 0.444444 0.666667
38 5CT 0.44186 0.735294
39 WT2 0.439024 0.78125
40 HRG 0.435897 0.757576
41 ALY 0.435897 0.735294
42 ILO 0.435897 0.757576
43 AS2 0.433333 0.62069
44 DCY 0.428571 0.740741
45 CYS 0.428571 0.740741
46 C2N 0.428571 0.703704
47 EXY 0.425 0.611111
48 NOT 0.425 0.705882
49 ONL 0.424242 0.625
50 2FM 0.416667 0.677419
51 4JK 0.414634 0.714286
52 VUR 0.414634 0.735294
53 HAR 0.414634 0.625
54 MED 0.411765 0.65625
55 MET 0.411765 0.65625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1T36; Ligand: ADP; Similar sites found: 195
This union binding pocket(no: 1) in the query (biounit: 1t36.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4JR7 GNP 0.00439 0.42438 2.13904
2 3HMO STU 0.01422 0.40436 2.33918
3 5DZT AMP 0.000779 0.49473 2.35602
4 4ZGP ADP 0.0004676 0.47348 2.38908
5 4YZN 4K5 0.005578 0.40641 2.43902
6 3TDV GDP 0.01118 0.40583 2.61438
7 3UDZ ADP 0.0003375 0.41278 2.63692
8 4BHN BH9 0.009011 0.40359 2.69461
9 3G5D 1N1 0.009004 0.40835 2.7972
10 4O4F ATP 0.001199 0.42763 2.82258
11 4O4F IHP 0.001402 0.42171 2.82258
12 2PYW ADP 0.0006773 0.45276 2.85714
13 1Y57 MPZ 0.005597 0.40634 2.87611
14 3X01 AMP 0.004554 0.45224 2.87958
15 5CKW ANP 0.004872 0.43876 2.88248
16 5X8I SQZ 0.001561 0.44485 2.89017
17 2WQN ADP 0.02199 0.40227 2.90323
18 3DNT ATP 0.001552 0.40757 2.95455
19 4L3L 5FI 0.004555 0.4015 2.96053
20 3PE2 E1B 0.009184 0.40456 2.96736
21 5IH9 6BF 0.005199 0.40553 2.98507
22 4BFM ANP 0.006177 0.41078 2.99401
23 4CLI 5P8 0.003466 0.42027 3.0581
24 3C0G 3AM 0.003176 0.44335 3.1339
25 4U98 ACP 0.001895 0.4452 3.14136
26 1NJJ GET 0.01987 0.41932 3.14136
27 1XJD STU 0.002968 0.42834 3.18841
28 4X7Q 3YR 0.008193 0.41201 3.20513
29 2PVF ACP 0.009528 0.4125 3.29341
30 5UOX 8GY 0.00585 0.40861 3.32103
31 2ZV2 609 0.0001256 0.51798 3.3557
32 5MW8 ATP 0.001965 0.40016 3.39703
33 4L9I 8PR 0.007487 0.41739 3.40314
34 3KAL ADP 0.0009878 0.4036 3.40314
35 1U5R ATP 0.01291 0.40634 3.44828
36 3RI1 3RH 0.003352 0.40534 3.51438
37 3I0O ADP 0.0003781 0.49413 3.53982
38 3DLS ADP 0.0001306 0.41544 3.58209
39 2HGS ADP 0.001285 0.40701 3.5865
40 2PUL ACP 0.0004859 0.4727 3.66492
41 5KOD IAC 0.02803 0.40283 3.66492
42 3WVR AMP 0.00005316 0.42573 3.9267
43 4Y0X ADP 0.003155 0.43907 4
44 1Z2P ACP 0.0002224 0.40957 4.01235
45 1Z2P I3S 0.0002224 0.40957 4.01235
46 5HVJ ANP 0.007978 0.43681 4.12698
47 4R78 AMP 0.004637 0.44462 4.20712
48 3TII ANP 0.00006241 0.41619 4.21053
49 4XH0 ADP 0.01547 0.42248 4.21836
50 5EFQ ADP 0.004975 0.42191 4.32277
51 4OTH DRN 0.005291 0.41048 4.39883
52 4CC6 L5Y 0.007256 0.43466 4.40252
53 5U6C 7YS 0.004884 0.41197 4.44444
54 4GYI ADP 0.001437 0.46013 4.53401
55 5AWM ANP 0.004465 0.44066 4.56853
56 5LI9 ACP 0.00762 0.41004 4.57143
57 4CS9 AMP 0.009634 0.41049 4.7619
58 5I35 ANP 0.001764 0.44665 4.83461
59 3SXS PP2 0.003519 0.42148 4.85075
60 4IZY 1J2 0.005695 0.41233 4.87805
61 4ZS4 ATP 0.005361 0.41687 4.88599
62 3HZT J60 0.01397 0.41587 4.92505
63 1TQP ATP 0.001753 0.42419 4.96454
64 2F2U M77 0.02404 0.40401 4.97512
65 3LXN MI1 0.005078 0.4145 5.03145
66 2CBZ ATP 0.01129 0.42763 5.06329
67 5GVR LMR 0.008043 0.43531 5.12821
68 4UWH JXM 0.01161 0.41208 5.15807
69 5VC5 96M 0.002162 0.41131 5.19031
70 3ALN ANP 0.01038 0.41077 5.19878
71 2VZ6 FEF 0.004493 0.43601 5.43131
72 4NZN 2OU 0.00006823 0.40643 5.75758
73 4NZN ANP 0.00006823 0.40643 5.75758
74 2PZI AXX 0.002674 0.447 5.75916
75 4AUA 4AU 0.0163 0.40159 5.86319
76 2AQX ATP 0.0003518 0.42203 5.88235
77 4YMJ 4EJ 0.001041 0.48579 5.92105
78 1PK8 ATP 0.000007233 0.5174 5.92417
79 5W4W 9WG 0.0056 0.40337 6.0423
80 4KBA 1QM 0.003541 0.40293 6.0423
81 5JZJ AN2 0.009415 0.41275 6.06061
82 2X1E X1E 0.03074 0.40019 6.16247
83 3TKI S25 0.01045 0.40722 6.19195
84 2HY0 306 0.008255 0.42312 6.21118
85 1CM8 ANP 0.0008058 0.46248 6.26703
86 5GJC ATP 0.02811 0.40059 6.28272
87 2AWN ADP 0.03627 0.40175 6.29921
88 1I7L ATP 0.00002591 0.49961 6.47249
89 5UKL SIX 0.003446 0.4034 6.48968
90 1RRV TYD 0.01488 0.40015 6.49038
91 2X7I CIT 0.02426 0.40381 6.49351
92 4KS7 X4Z 0.00658 0.40339 6.50685
93 1OBD ATP 0.007373 0.42552 6.53595
94 2Z7R STU 0.002818 0.42222 6.54206
95 5KJW 53C 0.03234 0.40437 6.5445
96 1U59 STU 0.001693 0.44325 6.62021
97 5V22 SAH 0.006517 0.41308 6.73401
98 4A4X JUP 0.002742 0.41013 6.81004
99 4LH7 1X8 0.0004884 0.50745 6.81115
100 3IDB ANP 0.003865 0.41311 6.85714
101 4FL3 ANP 0.001785 0.43071 7.06806
102 5HQ0 LZ9 0.002066 0.43159 7.14286
103 5AX9 4KT 0.009865 0.40832 7.14286
104 5JLB SAH 0.01058 0.41038 7.16846
105 5M06 ADP 0.00325 0.43846 7.6087
106 1EHI ADP 0.000007589 0.5439 7.69231
107 4UX9 ANP 0.004193 0.41815 7.69231
108 4I6H 1C8 0.008073 0.41231 7.79221
109 4OH4 ANP 0.001488 0.4458 7.80781
110 5LPZ ADP 0.002905 0.43256 7.83133
111 4XLI 1N1 0.002379 0.4406 7.83582
112 5H2U 1N1 0.01156 0.40518 7.86517
113 5DA3 58V 0.005073 0.43789 7.92453
114 3CY2 MB9 0.005617 0.40628 7.96178
115 2WU6 DKI 0.002472 0.42127 8.13648
116 4FG8 ATP 0.003527 0.42143 8.25397
117 1DKU AP2 0.01758 0.41217 8.51735
118 5T8O 76Z 0.003147 0.4236 8.59599
119 3AKK ADP 0.001125 0.40103 8.61539
120 2Q7D ANP 0.0002822 0.44936 8.67052
121 4DFU QUE 0.001877 0.47036 8.69565
122 5LPB ADP 0.0009482 0.47423 8.78378
123 5DMZ ADP 0.009424 0.40591 9.0411
124 5HX8 66P 0.004862 0.40024 9.27152
125 5W2I ADP 0.003813 0.41027 9.33852
126 5W2I I3P 0.003813 0.41027 9.33852
127 3T50 FMN 0.01068 0.40347 9.375
128 2IO8 ADP 0.00002057 0.50374 9.42408
129 4LRJ ANP 0.01502 0.40325 9.46746
130 5KO1 6UY 0.01166 0.4084 9.54064
131 1V0O INR 0.01148 0.40206 9.72222
132 4WNP 3RJ 0.0009949 0.46791 9.7561
133 3GGF GVD 0.004799 0.4304 9.96678
134 3KMW ATP 0.006097 0.42156 10.3321
135 3DAK ANP 0.01218 0.41108 10.3448
136 4BTK DTQ 0.0003457 0.41238 10.3858
137 5MY8 RXZ 0.00385 0.40713 10.4712
138 3SLS ANP 0.007706 0.40347 10.5263
139 4E1Z 0MX 0.00339 0.41551 10.9966
140 5VZ0 ADP 0.0001141 0.50197 11.2762
141 4XYM A12 0.001947 0.4365 11.3043
142 4NFN 2KC 0.01021 0.41111 11.3269
143 2RIF AMP 0.005985 0.42582 11.3475
144 3ETH ATP 0.0000001835 0.5375 11.5183
145 4CFU 2WC 0.002533 0.44361 11.5512
146 4BCQ TJF 0.01262 0.41808 11.6279
147 4BCN T9N 0.00318 0.44333 11.6667
148 2B9J ADP 0.001524 0.4496 11.898
149 2B9I ADP 0.002257 0.43756 11.898
150 5G1X ADP 0.01199 0.40785 11.9298
151 1IA9 ANP 0.003385 0.42578 12.1429
152 4F4P 0SB 0.00899 0.41375 12.4542
153 2YW2 ATP 0.00002112 0.51854 12.5
154 2IF8 ADP 0.0001166 0.53362 12.6722
155 1W2D ADP 0.0008428 0.47678 12.8302
156 2PR5 FMN 0.01154 0.40197 12.8788
157 1GSA ADP 0.000003305 0.50184 12.9747
158 3LQV ADE 0.02391 0.40681 13.913
159 5LXT ACP 0.00007151 0.4859 13.986
160 3VPD ANP 0.0000136 0.47262 14.9466
161 1KJ8 ATP 0.000003678 0.46705 15.0895
162 1KJ8 GAR 0.000004031 0.46065 15.0895
163 3RE4 TO1 0.004743 0.43935 15.5039
164 4AU8 Z3R 0.01114 0.42081 15.5405
165 1JI0 ATP 0.02675 0.40959 15.8333
166 4ME6 ADP 0.00003417 0.56424 16.5803
167 1AUX AGS 0.00002086 0.53017 16.7203
168 4Q5H ANP 0.006545 0.41647 17.1053
169 3K5I ADP 0.00000007889 0.62455 17.1216
170 3K5I AIR 0.000003697 0.49063 17.1216
171 3ORQ ADP 0.000003608 0.55205 17.2414
172 4Y8D 49J 0.002102 0.46777 17.9412
173 4MPO AMP 0.02532 0.41181 18.3007
174 5K2M ADP 0.000006628 0.49544 18.8679
175 2VQD AP2 0.00006457 0.49734 19.3966
176 1IOW PHY 0.00001025 0.51293 19.9346
177 1IOW ADP 0.00001025 0.46465 19.9346
178 3WO0 ALA 0.0001063 0.4205 20.4255
179 4R38 RBF 0.005882 0.41171 20.7143
180 5L8L ADP 0.02578 0.40248 22.2222
181 3VPB ADP 0.000002254 0.53788 22.3404
182 3VPC ADP 0.0001173 0.48134 22.3404
183 3VOT ADP 0.000005895 0.44057 22.8235
184 2VPQ ANP 0.000006023 0.49434 23.5033
185 5LXM ADP 0.01217 0.40754 23.6842
186 2PIE GLU LEU LYS TPO GLU ARG TYR 0.03773 0.40491 23.913
187 3V4S ATP 0.0000001488 0.60536 24.031
188 3V4S ADP 0.000006494 0.46416 24.031
189 2A19 ANP 0.02418 0.40388 25.1429
190 4F9C 0SX 0.003535 0.43259 27.7778
191 1E4E ADP 0.000006644 0.47357 27.9883
192 4NM5 ADP 0.00295 0.41805 29.1667
193 3E5A VX6 0.001605 0.42252 29.5455
194 5C1P ADP 0.0000359 0.53811 35.6209
195 5C1P DAL DAL 0.0001601 0.46301 35.6209
Pocket No.: 2; Query (leader) PDB : 1T36; Ligand: ORN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1t36.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1T36; Ligand: U; Similar sites found: 29
This union binding pocket(no: 3) in the query (biounit: 1t36.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WOE 3S5 0.00811 0.42869 2.35602
2 2X1L ADN 0.009135 0.40572 2.35602
3 4YWV SSN 0.00397 0.42824 2.87958
4 4NS3 NAD 0.001619 0.42749 3.19716
5 4I8P NAD 0.00393 0.43096 3.26923
6 4FMS BDP 0.009439 0.42218 3.27456
7 1LVW TYD 0.01582 0.40222 3.72881
8 3I27 SID 0.02334 0.40207 4.16667
9 1O9J NAD 0.002076 0.43966 4.39122
10 5EB4 FAD 0.02499 0.40095 4.45026
11 4K7O EKZ 0.006764 0.4357 5.35714
12 2DC1 CIT 0.01625 0.41258 5.50847
13 1DQN IMU 0.009124 0.41821 6.08696
14 1PKX XMP 0.000003876 0.54783 6.28272
15 4G1V FAD 0.04372 0.40169 6.28272
16 3W9F I3P 0.01607 0.4128 7.30769
17 4I9B NAD 0.0004717 0.44317 7.3501
18 4WZ8 3W7 0.01735 0.40935 7.59162
19 2HK9 SKM 0.01535 0.41291 7.63636
20 4A1O JLN 0.00001412 0.48163 7.83939
21 1IK4 PGH 0.0009603 0.45569 7.89474
22 3A76 SPD 0.02063 0.40701 7.95455
23 5A7Y SAH 0.02107 0.40012 8.65385
24 4BQS ADP 0.01047 0.41989 9.09091
25 3IWJ NAD 0.000333 0.45132 9.14513
26 2WOX NDP 0.003413 0.43498 9.68586
27 2WME NAP 0.004711 0.40755 9.68586
28 2CFC KPC 0.02846 0.40031 10.8
29 2P39 SCR 0.01039 0.41576 10.9677
Pocket No.: 4; Query (leader) PDB : 1T36; Ligand: ORN; Similar sites found: 28
This union binding pocket(no: 4) in the query (biounit: 1t36.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5M67 3D1 0.04328 0.41831 2.35602
2 5M67 NAD 0.04439 0.41768 2.35602
3 3CIF NAD 0.03903 0.40084 2.78552
4 3G5D 1N1 0.04888 0.41457 2.7972
5 4KJG 4NP 0.0186 0.40824 4.18848
6 1DL5 SAH 0.03871 0.40104 4.4164
7 5CDH TLA 0.01293 0.40628 4.46429
8 1DSS NAD 0.02442 0.41035 4.5045
9 1SOX MTE 0.003806 0.4442 4.72103
10 4OIC A8S 0.01866 0.40329 4.83092
11 1WY7 SAH 0.01633 0.41509 5.7971
12 3ZJ0 ACO 0.007159 0.43685 5.82524
13 2AQX ATP 0.006764 0.43321 5.88235
14 3MTX PGT 0.04927 0.40426 5.96026
15 4K39 SAM 0.01335 0.41262 6.21622
16 4K38 SAM 0.01985 0.40568 6.21622
17 1KQR MNA 0.01061 0.40304 7.26257
18 4WAS NAP 0.0304 0.41678 7.69231
19 1OLM VTQ 0.03601 0.40271 7.69231
20 5HGZ ACO 0.01209 0.42497 7.81893
21 1V8B NAD 0.04668 0.40652 8.37696
22 1NBU PH2 0.01028 0.41201 9.2437
23 1Q0S SAH 0.02814 0.4057 11.1969
24 4DS0 A2G GAL NAG FUC 0.01902 0.41734 11.6564
25 1F06 2NP 0.02333 0.42101 14.6875
26 1F06 NDP 0.02333 0.42101 14.6875
27 4Q9N NAI 0.02922 0.41242 15.7718
28 1L1Q 9DA 0.02546 0.40184 17.2043
Pocket No.: 5; Query (leader) PDB : 1T36; Ligand: U; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1t36.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1T36; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1t36.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1T36; Ligand: ORN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1t36.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1T36; Ligand: U; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1t36.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1T36; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1t36.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1T36; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1t36.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1T36; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1t36.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1T36; Ligand: ORN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1t36.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1T36; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 1t36.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1T36; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 1t36.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 1T36; Ligand: U; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 1t36.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 1T36; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 1t36.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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