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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 C1=CN(C(=O....
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 C1=CN(C(=O....
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 C1=CN(C(=O....
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: ORN; Similar ligands found: 57
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 LYS 0.53125 0.925926
11 DHH 0.53125 0.7
12 NPI 0.515152 0.7
13 ONH 0.515152 0.735294
14 6CL 0.5 0.758621
15 26P 0.5 0.65625
16 HSE 0.5 0.733333
17 2RA 0.5 0.785714
18 CIR 0.485714 0.735294
19 NVA 0.482759 0.714286
20 HCS 0.482759 0.814815
21 MLY 0.472222 0.631579
22 ARG 0.472222 0.757576
23 2NP 0.472222 0.6
24 MLZ 0.472222 0.757576
25 DAR 0.472222 0.757576
26 CUW 0.470588 0.833333
27 2YJ 0.465116 0.714286
28 2YG 0.454545 0.714286
29 MSE 0.454545 0.636364
30 GLU 0.451613 0.689655
31 DGL 0.451613 0.689655
32 DGN 0.451613 0.677419
33 GGL 0.451613 0.689655
34 GLN 0.451613 0.677419
35 DSN 0.444444 0.689655
36 DBB 0.444444 0.666667
37 ABA 0.444444 0.666667
38 SER 0.444444 0.689655
39 5CT 0.44186 0.735294
40 WT2 0.439024 0.78125
41 HRG 0.435897 0.757576
42 ALY 0.435897 0.735294
43 ILO 0.435897 0.757576
44 AS2 0.433333 0.62069
45 DCY 0.428571 0.740741
46 CYS 0.428571 0.740741
47 C2N 0.428571 0.703704
48 NOT 0.425 0.705882
49 EXY 0.425 0.611111
50 ONL 0.424242 0.625
51 2FM 0.416667 0.677419
52 NMM 0.414634 0.714286
53 HAR 0.414634 0.625
54 VUR 0.414634 0.735294
55 4JK 0.414634 0.714286
56 MET 0.411765 0.65625
57 MED 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 with APoc: 337
This union binding pocket(no: 1) in the query (biounit: 1t36.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2FAH MLA 1.97368
2 5YV5 ADP 2.05224
3 2H8H H8H 2.05607
4 4JR7 GNP 2.13904
5 6GZD LCI 2.13904
6 5WNL STU 2.33918
7 3HMO STU 2.33918
8 5DZT AMP 2.35602
9 4ZGP ADP 2.38908
10 4YZN 4K5 2.43902
11 4PZ6 GMP 2.48139
12 3TDV GDP 2.61438
13 5VLQ ANP 2.6178
14 3UDZ ADP 2.63692
15 6EOM ALA LYS 2.65018
16 5YK1 ANP 2.65487
17 4BHN BH9 2.69461
18 4G5H UD7 2.75482
19 6FL8 ADP 2.76596
20 6FL8 TIY 2.76596
21 1YQT ADP 2.7881
22 4UXL 5P8 2.79503
23 4O4F ATP 2.82258
24 4O4F IHP 2.82258
25 4IX4 ADP 2.85714
26 2PYW ADP 2.85714
27 3X01 AMP 2.87958
28 5CKW ANP 2.88248
29 5X8I SQZ 2.89017
30 5LVP ATP 2.89389
31 2WQN ADP 2.90323
32 6G33 5ID 2.94985
33 3DNT ATP 2.95455
34 4L3L 5FI 2.96053
35 3PE2 E1B 2.96736
36 5IH9 6BF 2.98507
37 2VN9 GVD 2.99003
38 4BFM ANP 2.99401
39 5HCY 60D 3.02115
40 4CLI 5P8 3.0581
41 5OES ADP 3.10559
42 6CMJ F6J 3.11526
43 3C0G 3AM 3.1339
44 4U98 ACP 3.14136
45 1NJJ GET 3.14136
46 4CYI ATP 3.14136
47 2WHP HI6 3.14136
48 1XJD STU 3.18841
49 4X7Q 3YR 3.20513
50 3KRL KRL 3.28358
51 2PVF ACP 3.29341
52 4H3Q ANP 3.31492
53 4H3P ANP 3.31492
54 2ZV2 609 3.3557
55 5MW8 ATP 3.39703
56 3TXO 07U 3.39943
57 4L9I 8PR 3.40314
58 4PNI KQQ 3.40314
59 3KAL ADP 3.40314
60 5UIU 8CG 3.40557
61 4OCV ANP 3.43008
62 1U5R ATP 3.44828
63 3RI1 3RH 3.51438
64 6F5W KG1 3.52304
65 2FB3 5AD 3.52941
66 2FB3 MET 3.52941
67 3I0O ADP 3.53982
68 3DLS ADP 3.58209
69 2HGS ADP 3.5865
70 6A1G 9OL 3.61111
71 2PUL ACP 3.66492
72 4IJP 1EH 3.66492
73 5KOD IAC 3.66492
74 6F3G CJN 3.72881
75 3PUN FUC GAL NDG FUC 3.79747
76 3A4M ADP 3.84615
77 3WVR AMP 3.9267
78 4GCZ FMN 3.9267
79 1ZY5 ANP 3.9604
80 4P25 FUC GAL NAG FUC 3.97351
81 4Y0X ADP 4
82 5TQZ GLC 4
83 1Z2P I3S 4.01235
84 1Z2P ACP 4.01235
85 4DC2 ADE 4.0404
86 5Y86 HRM 4.08163
87 5OMY 9YE 4.09207
88 5HVJ ANP 4.12698
89 2Z49 AMG 4.16667
90 4R78 AMP 4.20712
91 3TII ANP 4.21053
92 4XH0 ADP 4.21836
93 4GLW 0XT 4.2623
94 5CEO 50D 4.28705
95 5EFQ ADP 4.32277
96 4OTH DRN 4.39883
97 4CC6 L5Y 4.40252
98 5YF9 NIO 4.42478
99 4LOO SB4 4.43213
100 5U6C 7YS 4.44444
101 1M0W ANP 4.45026
102 4TVD BGC 4.45026
103 2BMB PMM 4.45026
104 4GYI ADP 4.53401
105 5AWM ANP 4.56853
106 5LI9 ACP 4.57143
107 3KN5 ANP 4.61538
108 3V8S 0HD 4.63415
109 4B2D SER 4.71204
110 6FYV 3NG 4.74777
111 4CS9 AMP 4.7619
112 5I35 ANP 4.83461
113 3SXS PP2 4.85075
114 4IZY 1J2 4.87805
115 4ZS4 ATP 4.88599
116 3HZT J60 4.92505
117 1TQP ATP 4.96454
118 2F2U M77 4.97512
119 3LXN MI1 5.03145
120 2CBZ ATP 5.06329
121 2YRX AMP 5.09978
122 5GVR LMR 5.12821
123 4UWH JXM 5.15807
124 5VC5 96M 5.19031
125 3ALN ANP 5.19878
126 4URS C2E 5.31915
127 2J83 BAT 5.34351
128 2F57 23D 5.36278
129 1PHK ATP 5.36913
130 1OXV ANP 5.38244
131 6EV2 BGC 5.40541
132 2VZ6 FEF 5.43131
133 2DC1 CIT 5.50847
134 3M2W L8I 5.68562
135 1K3A ACP 5.68562
136 4NZN ANP 5.75758
137 4NZN 2OU 5.75758
138 4G17 0VN 5.75758
139 2PZI AXX 5.75916
140 4UAL 3FV 5.75916
141 3B99 U51 5.75916
142 4AUA 4AU 5.86319
143 4OAV ACP 5.86552
144 2AQX ATP 5.88235
145 5MJA 7O3 5.90164
146 1PK8 ATP 5.92417
147 6AC9 ANP 5.94595
148 4O1P ANP 5.99721
149 5W4W 9WG 6.0423
150 4KBA 1QM 6.0423
151 6CQF F97 6.06061
152 5JZJ AN2 6.06061
153 1BYG STU 6.11511
154 2ZX2 RAM 6.15385
155 2X1E X1E 6.16247
156 3TKI S25 6.19195
157 2HY0 306 6.21118
158 1CM8 ANP 6.26703
159 2AWN ADP 6.29921
160 4U44 3D9 6.3253
161 5FAG PPI 6.34146
162 5OKT 9XK 6.36943
163 1I7L ATP 6.47249
164 5UKL SIX 6.48968
165 1RRV TYD 6.49038
166 2X7I CIT 6.49351
167 4KS7 X4Z 6.50685
168 1OBD ATP 6.53595
169 2Z7R STU 6.54206
170 5KJW 53C 6.5445
171 1U59 STU 6.62021
172 6GIN IR2 6.64452
173 2O66 FLC 6.66667
174 3HAV ATP 6.68896
175 5V22 SAH 6.73401
176 2BPM 529 6.79612
177 4A4X JUP 6.81004
178 4LH7 1X8 6.81115
179 2V7O DRN 6.84524
180 3IDB ANP 6.85714
181 3PLS ANP 7.04698
182 4FL3 ANP 7.06806
183 5ZTN CUR 7.06806
184 5HQ0 LZ9 7.14286
185 6GU6 1QK 7.14286
186 5AX9 4KT 7.14286
187 5JLB SAH 7.16846
188 4HNN LYS 7.22543
189 4WHZ 3NL 7.27273
190 2JLD AG1 7.38095
191 1Q8Y ADE 7.5067
192 1Q8Y ADP 7.5067
193 5M06 ADP 7.6087
194 4N70 2HX 7.62195
195 1EHI ADP 7.69231
196 4UX9 ANP 7.69231
197 4I6H 1C8 7.79221
198 4OH4 ANP 7.80781
199 5LPZ ADP 7.83133
200 4AZW ATP 7.8534
201 5H2U 1N1 7.86517
202 3CY2 MB9 7.96178
203 1SBR VIB 8
204 5SVV FMN 8.0292
205 2WU6 DKI 8.13648
206 2C3H GLC GLC 8.16327
207 2FR6 CTN 8.21918
208 4FG8 ATP 8.25397
209 3ZRM ZRM 8.35579
210 5YW5 ADE 8.37989
211 5YSQ INS 8.39161
212 1DKU AP2 8.51735
213 5COU ATP 8.52941
214 3PTG 932 8.53994
215 5T8O 76Z 8.59599
216 3AKK ADP 8.61539
217 4I94 ANP 8.66667
218 2Q7D ANP 8.67052
219 4DFU QUE 8.69565
220 5LPB ADP 8.78378
221 5H4S RAM 8.80282
222 6FYL 3NG 8.81543
223 4NST ADP 8.83191
224 3F7Z 34O 8.85714
225 2YAB AMP 8.86427
226 2QF7 AGS 8.94688
227 5DMZ ADP 9.0411
228 4WW7 AMP 9.09091
229 1GG6 APL 9.16031
230 2X2M X2M 9.23567
231 3T50 FMN 9.375
232 2IO8 ADP 9.42408
233 4LRJ ANP 9.46746
234 5KO1 6UY 9.54064
235 5XVG 8FX 9.55631
236 1V0O INR 9.72222
237 4WNP 3RJ 9.7561
238 5IM3 DTP 9.94764
239 3GGF GVD 9.96678
240 3KMW ATP 10.3321
241 3DAK ANP 10.3448
242 4BTK DTQ 10.3858
243 5UPK ANP 10.4167
244 4USF 6UI 10.5263
245 3SLS ANP 10.5263
246 2QK4 ATP 10.6195
247 3GC0 AMP 10.6383
248 4E1Z 0MX 10.9966
249 1ZTH ADP 11.2403
250 1ZP9 ATP 11.2403
251 1CBK ROI 11.25
252 5VZ0 ADP 11.2762
253 4XZ3 ACP 11.3043
254 4XYM A12 11.3043
255 3PN1 IVH 11.3208
256 4NFN 2KC 11.3269
257 2RIF AMP 11.3475
258 3ETH ATP 11.5183
259 4CFU 2WC 11.5512
260 6GUE FB8 11.5894
261 4BCM T7Z 11.6279
262 4BCQ TJF 11.6279
263 1TZD ADP 11.6364
264 4BCN T9N 11.6667
265 6BFN DL1 11.6959
266 6GG9 FMN 11.7284
267 2B9J ADP 11.898
268 2B9I ADP 11.898
269 2B9F ADP 11.898
270 2B9H ADP 11.898
271 5G1X ADP 11.9298
272 6C7Y ADP 11.9658
273 1IA9 ANP 12.1429
274 3SRV S19 12.2744
275 1UKZ AMP 12.3153
276 4F4P 0SB 12.4542
277 2YW2 ATP 12.5
278 2IF8 ADP 12.6722
279 1W2D ADP 12.8302
280 2PR5 FMN 12.8788
281 5TDF ADP 12.963
282 1GSA ADP 12.9747
283 3LQV ADE 13.913
284 5LXT ACP 13.986
285 5HZ9 5M8 14.0741
286 2BKK ADP 14.2012
287 1JBU BEN 14.2857
288 2DT9 THR 14.3713
289 5CGE 51F 14.4404
290 3VPD ANP 14.9466
291 1KJ8 ATP 15.0895
292 1KJ8 GAR 15.0895
293 3RE4 TO1 15.5039
294 4AU8 Z3R 15.5405
295 3H9R TAK 15.5963
296 1UNH IXM 15.7534
297 3O0G 3O0 15.7534
298 1JI0 ATP 15.8333
299 2QX0 PH2 16.3522
300 4P86 5GP 16.3934
301 2WEL K88 16.6667
302 1AUX AGS 16.7203
303 4Q5H ANP 17.1053
304 3K5I ADP 17.1216
305 3K5I AIR 17.1216
306 3ORQ ADP 17.2414
307 4Y8D 49J 17.9412
308 4MPO AMP 18.3007
309 5K2M ADP 18.8679
310 2V58 LZJ 19.1537
311 4C2W ANP 19.2308
312 2VQD AP2 19.3966
313 1IOW ADP 19.9346
314 1IOW PHY 19.9346
315 3WO0 ADP 20.4255
316 3WO0 ALA 20.4255
317 4R38 RBF 20.7143
318 5L8L ADP 22.2222
319 3VPB ADP 22.3404
320 3VPC ADP 22.3404
321 3VOT ADP 22.8235
322 2VPQ ANP 23.5033
323 5LXM ADP 23.6842
324 2PIE GLU LEU LYS TPO GLU ARG TYR 23.913
325 3V4S ATP 24.031
326 3V4S ADP 24.031
327 2GU8 796 25
328 2A19 ANP 25.1429
329 5ZCT ANP 25.817
330 4F9C 0SX 27.7778
331 1IR3 ANP 27.7778
332 1E4E ADP 27.9883
333 4NM5 ADP 29.1667
334 3E5A VX6 29.5455
335 5C1P ADP 35.6209
336 5C1P DAL DAL 35.6209
337 3ZIA ADP 36.5079
338 4OUC 5ID 50
Pocket No.: 2; Query (leader) PDB : 1T36; Ligand: ORN; Similar sites found with APoc: 145
This union binding pocket(no: 2) in the query (biounit: 1t36.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3MKH FAD 1.82648
2 5H41 IFM 2.09424
3 5DXA SFG 2.29226
4 5DX1 SFG 2.29226
5 5DX0 SFG 2.29226
6 5DX8 SFG 2.29226
7 1R6T TYM 2.72537
8 3CIF NAD 2.78552
9 3G5D 1N1 2.7972
10 5LRT ADP 2.95276
11 5WA0 MSS 3.0137
12 2B4R NAD 3.18841
13 2B4R AES 3.18841
14 5OGX FAD 3.27381
15 5MW8 ATP 3.39703
16 3GMB FAD 3.40314
17 4NW6 2NS 3.40557
18 2PD4 NAD 3.63636
19 2PD4 DCN 3.63636
20 4IJP 1EH 3.66492
21 1QHO ABD 3.66492
22 1QAN SAH 3.68852
23 3PC3 P1T 3.79507
24 5FWA J7C 3.9267
25 2WTX VDO 3.9267
26 2WTX UDP 3.9267
27 1QXO FMN 3.9267
28 5X2Z 3LM 4.0201
29 3GGO NAI 4.14013
30 2Z48 NGA 4.16667
31 3VHE 42Q 4.17827
32 4KJG 4NP 4.18848
33 4KIB SAH 4.20168
34 4LHD GLY 4.45026
35 5CDH TLA 4.46429
36 1DSS NAD 4.5045
37 5K4W THR 4.6729
38 2WKV COA 4.71204
39 1SOX MTE 4.72103
40 4OIC A8S 4.83092
41 5JE0 SAH 4.8583
42 5JE0 AZ8 4.8583
43 5UR0 NAD 4.87106
44 5N69 2OW 4.97382
45 5ESO ISC 4.97382
46 5ESO TDP 4.97382
47 5TSU CYS 4.9763
48 5DH3 5BS 5.07937
49 3DCM SAM 5.20833
50 5EJL C2E 5.24194
51 3S5W ONH 5.39957
52 4RJK TPP 5.49738
53 2WSB NAD 5.51181
54 5J60 FAD 5.625
55 4Y30 SAH 5.69801
56 4PLT OXM 5.74018
57 4PLT NAI 5.74018
58 1DY4 SNP 5.76037
59 1WY7 SAH 5.7971
60 4OAV ACP 5.86552
61 2AQX ATP 5.88235
62 2A9D MTE 5.91398
63 1KRH FAD 5.91716
64 4O1P ANP 5.99721
65 4K39 SAM 6.21622
66 4K38 SAM 6.21622
67 4R57 ACO 6.25
68 4Z0H NAD 6.28743
69 5FAG PPI 6.34146
70 6ECW SAH 6.34921
71 1VL8 NAP 6.36704
72 4FBL SPD 6.40569
73 3DXY SAM 6.42202
74 5WHT SIA 6.52174
75 5WHT SIA GAL GLC 6.52174
76 5WHT SIA GAL 6.52174
77 4D79 ATP 6.52174
78 4JE7 BB2 6.59898
79 5VN0 FAD 6.75676
80 3LCV SAM 6.76157
81 3DAA PDD 6.85921
82 3FPZ AHZ 7.05521
83 4LO6 SIA GAL 7.06806
84 1PVN MZP 7.18085
85 3N5O GSH 7.23404
86 4KXL 6C6 7.23684
87 4WAS NAP 7.69231
88 4WAS COO 7.69231
89 5WQP NCA 7.69231
90 4UA3 COA 7.73196
91 6E2O S0L 7.79661
92 5LU5 M7P 8.12183
93 2FR6 URI 8.21918
94 1V8B NAD 8.37696
95 4PW9 MSS 8.49057
96 1DKU AP2 8.51735
97 3AIA SAM 8.53081
98 5T8O 76Z 8.59599
99 5DMZ ADP 9.0411
100 1FLJ GSH 9.23077
101 1N5D NDP 9.375
102 5H5F SAM 9.40171
103 3N7H DE3 9.6
104 1GHE ACO 9.60452
105 3FV3 IVA VAL VAL STA ALA STA 10.3245
106 1U7T TDT 10.3448
107 3FHI ANP 10.3896
108 3SLS 77D 10.5263
109 1ZQ9 SAM 10.5263
110 3I7S PYR 10.6164
111 3R5J ACE ALA ASP VAL ALA ASA 10.625
112 3BY9 SIN 11.1538
113 4RHS SIA SIA GAL 11.4754
114 4DS0 A2G GAL NAG FUC 11.6564
115 4P5E N6P 11.8421
116 4X7R 3YW 12.3732
117 4X7R UDP 12.3732
118 5ME4 HP4 12.4088
119 4RT1 C2E 12.5
120 4NJH SAM 13.0435
121 4NJH 2K8 13.0435
122 3DJF BC3 13.2404
123 3SMA ACO 13.2867
124 2IDO TMP 13.4409
125 1J54 TMP 13.4409
126 1X1T NAD 13.4615
127 5TWJ SAM 13.5802
128 1YZN GNP 14.0541
129 1F06 2NP 14.6875
130 1F06 NDP 14.6875
131 6ECU SAH 14.8734
132 4UUG PXG 15.3614
133 5VSM MET 15.7233
134 4Q9N NAI 15.7718
135 3RK1 ATP 16.0338
136 1GUA GNP 16.1677
137 4HDO GNP 16.1677
138 1F8Y 5MD 17.8344
139 3WBF API 18.0328
140 2HF9 GSP 19.469
141 3ZLR X0B 19.6203
142 1G27 BB1 19.6429
143 1UXG NAD 21.3592
144 1UXG FUM 21.3592
145 4F9C 0SX 27.7778
Pocket No.: 3; Query (leader) PDB : 1T36; Ligand: U; Similar sites found with APoc: 89
This union binding pocket(no: 3) in the query (biounit: 1t36.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4I3V NAD 2.04918
2 4WOE 3S5 2.35602
3 4OE4 NAD 2.35602
4 2X1L ADN 2.35602
5 5ZDK ATP 2.35602
6 5KWW 6YA 2.64085
7 5OC1 FAD 2.83186
8 6MVU K4V 2.87958
9 4YWV SSN 2.87958
10 2NVK NAP 2.87958
11 1JQD SAH 3.08219
12 4NS3 NAD 3.19716
13 4I8P NAD 3.26923
14 4FMS BDP 3.27456
15 3VSV XYS 3.29154
16 2JK0 ASP 3.38462
17 2QE0 NAP 3.57895
18 1LVW TYD 3.72881
19 1F9V ADP 3.7464
20 5YLF BGC 3.89222
21 5KF6 NAD 3.9267
22 3HAZ NAD 3.9267
23 1KY8 NAP 3.9267
24 5X5U NAD 3.9604
25 5URY PAM 4.10959
26 3JZ4 NAP 4.158
27 3I27 SID 4.16667
28 4PXL NAD 4.18848
29 4FGC PQ0 4.24242
30 6G28 AR6 4.35967
31 1O9J NAD 4.39122
32 5EB4 FAD 4.45026
33 1EZ0 NAP 4.70588
34 6FK3 PPI 4.71204
35 2F2H XTG 5.04528
36 4WBD ADP 5.2356
37 4WBD CIT 5.2356
38 4K7O EKZ 5.35714
39 3VC1 SAH 5.44872
40 3VC1 GST 5.44872
41 4LH0 GLV 5.49738
42 2DC1 CIT 5.50847
43 1KSK URA 5.55556
44 5IUW IAC 5.75916
45 5IUW NAD 5.75916
46 5E70 RCD 5.75916
47 2Y5D NAP 5.80524
48 1DQN IMU 6.08696
49 5UY8 AMZ 6.28272
50 5L13 6ZE 6.5445
51 5GM1 SAH 6.73401
52 4ZUL UN1 6.80628
53 4A0M NAD 7.05645
54 1PVN MZP 7.18085
55 2EV9 SKM 7.22433
56 3W9F I3P 7.30769
57 3RHJ NAP 7.32984
58 4I9B NAD 7.3501
59 3F3E LEU 7.51445
60 5NM7 GLY 7.5188
61 2HK9 SKM 7.63636
62 5M90 JIF 7.75862
63 4A1O JLN 7.83939
64 1IK4 PGH 7.89474
65 3A76 SPD 7.95455
66 6HL7 CP 8.04598
67 4Z87 GDP 8.37696
68 5A7Y SAH 8.65385
69 4DFU QUE 8.69565
70 3FSY SCA 8.73494
71 4BQS ADP 9.09091
72 3IWJ NAD 9.14513
73 2IMP NAI 9.39457
74 6B5G NAD 9.42408
75 4PZ2 NAD 9.42408
76 6B5G CQY 9.42408
77 3VZ3 NAP 9.62801
78 3VZ3 SSN 9.62801
79 2WME NAP 9.68586
80 2WOX NDP 9.68586
81 2CFC KPC 10.8
82 2BJK NAD 10.8527
83 2P39 SCR 10.9677
84 5L2M 6ZY 11.5183
85 5VX9 FUC GAL NAG GAL BGC 11.8012
86 6GMN F4E 13.4615
87 3VPD CIT 14.9466
88 3LN9 FLC 15.8273
89 2NU8 COA 19.3299
Pocket No.: 4; Query (leader) PDB : 1T36; Ligand: ORN; Similar sites found with APoc: 32
This union binding pocket(no: 4) in the query (biounit: 1t36.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5M67 3D1 2.35602
2 5M67 NAD 2.35602
3 5M67 ADE 2.35602
4 5N0O SAM 2.76382
5 6BOX SAH 3.30033
6 6ECT SAM 3.42679
7 2G5C NAD 4.27046
8 1DL5 SAH 4.4164
9 1J0X NAD 4.51807
10 5K4W NAI 4.6729
11 2GQ2 NAP 5.03876
12 5G5G MCN 5.2356
13 3ZJ0 ACO 5.82524
14 3MTX PGT 5.96026
15 3H9E NAD 6.6474
16 5XC5 GTP 6.81818
17 6EJI UD2 6.97051
18 1KQR MNA 7.26257
19 4YBN FAD 7.58929
20 1OLM VTQ 7.69231
21 5HGZ ACO 7.81893
22 2P3I MNA 8.07453
23 6MJF SAH 8.37696
24 5HJM MTA 8.52273
25 5UAV TFB 8.69565
26 5UAV NDP 8.69565
27 1NBU PH2 9.2437
28 1HKU NAD 9.77654
29 2VBA P4T 9.85222
30 1Q0S SAH 11.1969
31 6C99 EQY 12.1212
32 1L1Q 9DA 17.2043
Pocket No.: 5; Query (leader) PDB : 1T36; Ligand: U; Similar sites found with APoc: 25
This union binding pocket(no: 5) in the query (biounit: 1t36.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3TAO PGH 2.62172
2 5HCY 60D 3.02115
3 2GMH FAD 3.9267
4 5LPG 71V 4.26829
5 1LSH PLD 4.70219
6 1OFL NGK GCD 4.71204
7 6MDE MEV 4.9505
8 1KC7 PPR 4.97382
9 4J4H NAI 5.01931
10 4J4H 1J1 5.01931
11 4TWP AXI 5.53506
12 4R29 SAM 5.80357
13 5DRB 5FJ 5.84192
14 5VX5 FUC GAL NAG GAL BGC 6.17284
15 4RF7 ARG 6.82451
16 5ZYN SIN 7.06806
17 4WZ8 3W7 7.59162
18 5NCB JZ3 8.06846
19 2I74 MAN MAN MAN MAN 8.46561
20 6MJ7 ARG 12.7273
21 1KJ1 MAN 12.844
22 3NZ1 3NY 16.092
23 3KO0 TFP 17.8218
24 2YC5 6BC 19.2982
25 3PMA SCR 41.3793
Pocket No.: 6; Query (leader) PDB : 1T36; Ligand: ADP; Similar sites found with APoc: 148
This union binding pocket(no: 6) in the query (biounit: 1t36.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1CKN GTP 2.12121
2 1CKM GTP 2.12121
3 4WOE ADP 2.35602
4 6C1S EFV 2.47168
5 5JKG 6LF 2.57235
6 3W0O HY0 2.5788
7 3W0O ADP 2.5788
8 3G5D 1N1 2.7972
9 5DXT 5H5 2.87958
10 3RWP ABQ 2.89389
11 4AT3 LTI 3.01003
12 5EQY 5RA 3.14136
13 3ZOA ACR 3.14136
14 4U0I 0LI 3.1746
15 3TPV ADE 3.18182
16 6CGD GNP 3.27869
17 6CGD AKN 3.27869
18 3VSV XYS 3.29154
19 1JG9 GLC 3.40314
20 4NW6 2NS 3.40557
21 6AYU MLI 3.45821
22 4EUU BX7 3.76176
23 4XV1 904 3.76712
24 6GWR FEW 3.80952
25 5YLF BGC 3.89222
26 5HES 032 3.90879
27 2CFM AMP 3.9267
28 2F6D ACR 3.9267
29 4CQE CQE 3.95683
30 5USZ SKE 4.15225
31 3VHE 42Q 4.17827
32 5EOB 5QQ 4.18848
33 5TA6 79D 4.18994
34 2XOC ADP 4.21456
35 3VZS CAA 4.28016
36 5BVE 4VG 4.43213
37 3FC2 IBI 4.47761
38 3AKI AH8 4.48718
39 5LI1 ANP 4.51977
40 3UIM ANP 4.60123
41 2XVD AS6 4.63576
42 4PU5 ANP 4.63576
43 3UG4 AHR 4.71204
44 4N7U 2JA 4.73684
45 1KC7 PPR 4.97382
46 2R7K AMZ 4.98615
47 2R7K ACP 4.98615
48 3E7O 35F 5
49 5DH3 5BS 5.07937
50 4EWH T77 5.09091
51 4QMN DB8 5.16129
52 4RDL FUC GAL NDG FUC 5.19481
53 2I4O ATP 5.2356
54 3QTP 2PG 5.2356
55 4P5Z Q7M 5.26316
56 3AQV TAK 5.43478
57 2GQS ADP 5.48523
58 6EZ6 C5Z 5.49738
59 5AE9 OKO 5.49738
60 4TWP AXI 5.53506
61 4RFM 3P6 5.6391
62 3TM0 ANP 5.70342
63 3TM0 B31 5.70342
64 5JGA 6KC 5.71429
65 1JPA ANP 5.76923
66 3FXU TSU 5.90164
67 4YMJ 4EJ 5.92105
68 5OLK DTP 6.02094
69 3K8D KDO 6.02094
70 1S68 AMP 6.0241
71 5DEY 59T 6.06061
72 2PVN P63 6.25
73 2QLU ADE 6.36943
74 5TO8 7FM 6.38298
75 6GQM F8H 6.40244
76 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 6.43275
77 2JDR L20 6.43275
78 6BMN PAP 6.44068
79 3PVW QRX 6.47059
80 2J7T 274 6.62252
81 1ZGS XMM 6.80628
82 4UP4 NDG 6.80628
83 1RE8 BD2 6.85714
84 3FUR Z12 6.98529
85 4G9N NGA 6.99301
86 2XMY CDK 7.04698
87 4FE2 ADP 7.05882
88 1OPK P16 7.07071
89 4OUJ LBT 7.16612
90 4NFE BEN 7.173
91 2EV9 SKM 7.22433
92 2R5T ANP 7.23861
93 3BZ3 YAM 7.24638
94 4CSV STI 7.27273
95 5QIN