Receptor
PDB id Resolution Class Description Source Keywords
1BXR 2.1 Å EC: 6.3.5.5 STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE COMPLEXED WITH T ANALOG AMPPNP ESCHERICHIA COLI AMIDOTRANSFERASE CARBAMOYL-PHOSPHATE SYNTHASE
Ref.: CARBAMOYL PHOSPHATE SYNTHETASE: CLOSURE OF THE B-DO RESULT OF NUCLEOTIDE BINDING. BIOCHEMISTRY V. 38 2347 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANP A:1083;
A:1084;
C:1900;
C:1910;
E:2900;
E:2910;
G:3900;
G:3910;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
CL A:1080;
A:1081;
A:1082;
B:982;
C:1980;
C:1981;
C:1983;
D:1982;
E:2980;
E:2981;
G:3980;
G:3981;
G:3982;
G:3983;
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;
submit data
35.453 Cl [Cl-]
K A:1075;
A:1076;
A:1079;
B:984;
C:1903;
C:1904;
C:1913;
C:3985;
D:3984;
E:2903;
E:2904;
E:2913;
E:2982;
E:2983;
G:3903;
G:3904;
G:3913;
G:3988;
H:3987;
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;
submit data
39.098 K [K+]
MN A:1074;
A:1077;
A:1078;
C:1901;
C:1911;
C:1912;
C:3986;
E:2901;
E:2911;
E:2912;
G:3901;
G:3911;
G:3912;
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;
submit data
54.938 Mn [Mn+2...
NET A:1086;
C:1950;
E:2950;
G:3950;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
130.251 C8 H20 N CC[N+...
ORN A:1085;
C:1920;
E:2920;
G:3920;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
132.161 C5 H12 N2 O2 C(CC(...
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 1A9X - ORN C5 H12 N2 O2 C(CC(C(=O)....
2 1JDB - GLN C5 H10 N2 O3 C(CC(=O)N)....
3 1CE8 - IMP C10 H13 N4 O8 P c1nc2c(n1C....
4 1CS0 - ORN C5 H12 N2 O2 C(CC(C(=O)....
5 1C30 - ORN C5 H12 N2 O2 C(CC(C(=O)....
6 1C3O - GLN C5 H10 N2 O3 C(CC(=O)N)....
7 1M6V - ORN C5 H12 N2 O2 C(CC(C(=O)....
8 1BXR - ORN C5 H12 N2 O2 C(CC(C(=O)....
9 1KEE - ORN C5 H12 N2 O2 C(CC(C(=O)....
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 1A9X - ORN C5 H12 N2 O2 C(CC(C(=O)....
2 1JDB - GLN C5 H10 N2 O3 C(CC(=O)N)....
3 1CE8 - IMP C10 H13 N4 O8 P c1nc2c(n1C....
4 1CS0 - ORN C5 H12 N2 O2 C(CC(C(=O)....
5 1C30 - ORN C5 H12 N2 O2 C(CC(C(=O)....
6 1C3O - GLN C5 H10 N2 O3 C(CC(=O)N)....
7 1M6V - ORN C5 H12 N2 O2 C(CC(C(=O)....
8 1BXR - ORN C5 H12 N2 O2 C(CC(C(=O)....
9 1KEE - ORN C5 H12 N2 O2 C(CC(C(=O)....
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 1A9X - ORN C5 H12 N2 O2 C(CC(C(=O)....
2 1JDB - GLN C5 H10 N2 O3 C(CC(=O)N)....
3 1CE8 - IMP C10 H13 N4 O8 P c1nc2c(n1C....
4 1CS0 - ORN C5 H12 N2 O2 C(CC(C(=O)....
5 1C30 - ORN C5 H12 N2 O2 C(CC(C(=O)....
6 1C3O - GLN C5 H10 N2 O3 C(CC(=O)N)....
7 1M6V - ORN C5 H12 N2 O2 C(CC(C(=O)....
8 1BXR - ORN C5 H12 N2 O2 C(CC(C(=O)....
9 1KEE - ORN C5 H12 N2 O2 C(CC(C(=O)....
10 1T36 Kd = 9 uM U C9 H13 N2 O9 P C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ANP; Similar ligands found: 316
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 AP5 0.802632 0.945205
5 ADP 0.802632 0.972222
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 ATP 0.772152 0.972222
9 AQP 0.7625 0.972222
10 5FA 0.7625 0.972222
11 M33 0.759494 0.932432
12 MAP 0.752941 0.972973
13 ACP 0.75 0.945946
14 AR6 0.740741 0.945205
15 APR 0.740741 0.945205
16 ACQ 0.73494 0.945946
17 AGS 0.731707 0.921053
18 SAP 0.731707 0.921053
19 AD9 0.731707 0.945946
20 A 0.723684 0.944444
21 AMP 0.723684 0.944444
22 ATF 0.717647 0.933333
23 CA0 0.716049 0.92
24 ADX 0.716049 0.851852
25 50T 0.707317 0.932432
26 PRX 0.698795 0.87013
27 ABM 0.696203 0.893333
28 AMP MG 0.683544 0.868421
29 AP2 0.679012 0.933333
30 A12 0.679012 0.933333
31 APC 0.678571 0.933333
32 TAT 0.674419 0.933333
33 A22 0.674157 0.958904
34 SRA 0.670886 0.894737
35 SRP 0.670455 0.883117
36 5AL 0.666667 0.906667
37 ADQ 0.659341 0.92
38 A1R 0.659341 0.884615
39 ADP MG 0.654762 0.881579
40 3OD 0.648936 0.92
41 BIS 0.648936 0.909091
42 BEF ADP 0.647059 0.858974
43 ADP BEF 0.647059 0.858974
44 OAD 0.645161 0.92
45 25L 0.642105 0.958904
46 AMO 0.641304 0.907895
47 G5P 0.636364 0.897436
48 00A 0.634409 0.860759
49 AHX 0.634409 0.897436
50 DLL 0.634409 0.906667
51 ANP MG 0.633333 0.921053
52 ADV 0.632184 0.907895
53 ADP PO3 0.632184 0.917808
54 RBY 0.632184 0.907895
55 NB8 0.631579 0.897436
56 25A 0.630435 0.945205
57 G3A 0.626263 0.897436
58 ATP MG 0.625 0.881579
59 PAJ 0.623656 0.8625
60 4AD 0.623656 0.896104
61 LAD 0.621053 0.839506
62 1ZZ 0.614583 0.819277
63 TXA 0.614583 0.907895
64 ME8 0.614583 0.819277
65 GTA 0.613861 0.864198
66 SON 0.604651 0.907895
67 ADP ALF 0.604396 0.848101
68 ALF ADP 0.604396 0.848101
69 PR8 0.604167 0.829268
70 GAP 0.6 0.87013
71 FYA 0.597938 0.881579
72 PTJ 0.597938 0.873418
73 ADP VO4 0.597826 0.906667
74 UP5 0.596154 0.896104
75 FA5 0.59596 0.883117
76 YAP 0.59596 0.871795
77 PAP 0.595506 0.958333
78 A4P 0.59434 0.823529
79 XAH 0.59 0.841463
80 AFH 0.588235 0.8625
81 2A5 0.58427 0.894737
82 T5A 0.583333 0.821429
83 NAI 0.580952 0.884615
84 ITT 0.579545 0.917808
85 ATR 0.577778 0.944444
86 5AS 0.574713 0.781609
87 YLP 0.571429 0.8
88 4TC 0.570093 0.873418
89 AP0 0.570093 0.873418
90 ADJ 0.568807 0.831325
91 DAL AMP 0.568421 0.881579
92 GNP 0.568421 0.922078
93 NXX 0.566038 0.907895
94 DND 0.566038 0.907895
95 NAX 0.566038 0.851852
96 TXD 0.566038 0.884615
97 ADN 0.565789 0.821918
98 XYA 0.565789 0.821918
99 RAB 0.565789 0.821918
100 AOC 0.564706 0.8
101 ADP BMA 0.561224 0.894737
102 TYM 0.560748 0.883117
103 YLB 0.555556 0.8
104 YLC 0.555556 0.819277
105 139 0.554545 0.851852
106 5N5 0.551282 0.797297
107 LAQ 0.54717 0.819277
108 MYR AMP 0.544554 0.797619
109 5CD 0.544304 0.783784
110 A4D 0.544304 0.797297
111 7MD 0.542857 0.864198
112 6AD 0.542553 0.886076
113 A2R 0.541667 0.958904
114 UPA 0.541284 0.884615
115 YLA 0.540541 0.8
116 BTX 0.539823 0.821429
117 COD 0.539823 0.793103
118 G5A 0.537634 0.781609
119 CNA 0.535714 0.907895
120 AYB 0.535714 0.790698
121 3DH 0.535714 0.753247
122 BT5 0.535088 0.811765
123 ATP A A A 0.533981 0.905405
124 IOT 0.531532 0.811765
125 MTA 0.53012 0.753247
126 3AM 0.529412 0.90411
127 A3P 0.52809 0.944444
128 NAD 0.526316 0.906667
129 PPS 0.526316 0.851852
130 EP4 0.52439 0.734177
131 AMP DBH 0.52381 0.87013
132 A5A 0.520833 0.809524
133 EAD 0.520661 0.851852
134 TSB 0.520408 0.821429
135 AHZ 0.518519 0.797619
136 DTA 0.518072 0.766234
137 M2T 0.518072 0.716049
138 A3D 0.517241 0.894737
139 YLY 0.516949 0.790698
140 SSA 0.515464 0.802326
141 NA7 0.514852 0.933333
142 AR6 AR6 0.514019 0.893333
143 7MC 0.513514 0.843373
144 A2P 0.511111 0.930556
145 VMS 0.510204 0.790698
146 52H 0.510204 0.781609
147 54H 0.510204 0.790698
148 TAD 0.509259 0.8625
149 NAQ 0.508333 0.85
150 A3N 0.505618 0.766234
151 AV2 0.505155 0.893333
152 5CA 0.50505 0.802326
153 53H 0.50505 0.781609
154 ARU 0.504951 0.839506
155 ZID 0.504132 0.894737
156 P1H 0.504 0.831325
157 AVV 0.5 0.873418
158 NAE 0.5 0.871795
159 3AT 0.5 0.945205
160 P5A 0.495146 0.747253
161 NSS 0.49505 0.802326
162 DSZ 0.49505 0.802326
163 LSS 0.49505 0.764045
164 N0B 0.491803 0.8
165 LA8 ALF 3PG 0.491071 0.817073
166 AF3 ADP 3PG 0.491071 0.817073
167 ALF ADP 3PG 0.491071 0.817073
168 NVA LMS 0.490196 0.764045
169 DAT 0.489362 0.881579
170 IMO 0.488889 0.90411
171 ZAS 0.488636 0.792208
172 FDA 0.488372 0.813953
173 NAJ PZO 0.487395 0.85
174 4TA 0.487179 0.788235
175 LPA AMP 0.486486 0.797619
176 LEU LMS 0.485437 0.764045
177 DTP 0.484536 0.881579
178 V3L 0.484536 0.945205
179 S4M 0.483516 0.651685
180 DZD 0.483051 0.8625
181 2AM 0.482759 0.917808
182 5AD 0.481013 0.726027
183 KAA 0.480769 0.755556
184 GSU 0.480769 0.781609
185 NDE 0.480315 0.907895
186 M24 0.479339 0.851852
187 MAO 0.478261 0.761905
188 NEC 0.477778 0.727273
189 DSH 0.477778 0.707317
190 FAD 0.477273 0.831325
191 FAS 0.477273 0.831325
192 RGT 0.476636 0.933333
193 0WD 0.474576 0.897436
194 G A A A 0.474576 0.85
195 FNK 0.474074 0.786517
196 6FA 0.473282 0.821429
197 NDC 0.472868 0.85
198 FB0 0.472868 0.786517
199 YSA 0.472222 0.781609
200 OVE 0.466667 0.881579
201 NAD IBO 0.466102 0.848101
202 MHZ 0.463158 0.701149
203 A3G 0.461538 0.779221
204 6C6 0.459184 0.858974
205 SFG 0.458333 0.730769
206 128 0.45614 0.8
207 SFD 0.455224 0.736842
208 GDP 0.454545 0.896104
209 DDS 0.454545 0.855263
210 6IA 0.454545 0.817073
211 ODP 0.453782 0.886076
212 NJP 0.453782 0.921053
213 A7D 0.452632 0.75641
214 Z5A 0.452381 0.802326
215 WSA 0.452174 0.790698
216 FAY 0.449275 0.841463
217 NDP 0.449153 0.897436
218 A5D 0.44898 0.766234
219 SA8 0.44898 0.690476
220 NAJ PYZ 0.448 0.851852
221 PA7 0.446809 0.691358
222 GGZ 0.446602 0.804878
223 RFL 0.446043 0.802326
224 2SA 0.445545 0.907895
225 AMP NAD 0.444444 0.858974
226 SAH 0.444444 0.725
227 SAI 0.444444 0.716049
228 GP3 0.444444 0.897436
229 A A A 0.443396 0.881579
230 PO4 PO4 A A A A PO4 0.443396 0.878378
231 SMM 0.441176 0.670455
232 GTP 0.441176 0.896104
233 S7M 0.441176 0.674419
234 SAM 0.44 0.674419
235 12D 0.438596 0.809524
236 A3S 0.4375 0.789474
237 NPW 0.436975 0.864198
238 GCP 0.436893 0.873418
239 GNH 0.435644 0.909091
240 EEM 0.435644 0.674419
241 AAT 0.435644 0.690476
242 DCA 0.435484 0.804598
243 ETB 0.435484 0.813953
244 N6P 0.433962 0.890411
245 TXP 0.433333 0.897436
246 NZQ 0.433333 0.886076
247 PGS 0.43299 0.860759
248 APU 0.432203 0.871795
249 PUA 0.432 0.8625
250 F2N 0.431507 0.795455
251 DA 0.430108 0.855263
252 D5M 0.430108 0.855263
253 J7V 0.429688 0.813953
254 COA 0.428571 0.804598
255 6K6 0.428571 0.905405
256 NIA 0.428571 0.848101
257 A3T 0.428571 0.8
258 P5F 0.427586 0.804598
259 AAM 0.425532 0.944444
260 0UM 0.424528 0.682353
261 G1R 0.423077 0.884615
262 AMZ 0.422222 0.891892
263 C2R 0.422222 0.88
264 A U 0.420168 0.848101
265 IDP 0.42 0.894737
266 GSP 0.419048 0.851852
267 AMX 0.418605 0.813953
268 DG1 0.418605 0.897436
269 1DG 0.418605 0.897436
270 COS 0.418605 0.786517
271 CAO 0.418605 0.777778
272 30N 0.418605 0.736842
273 TM1 0.418182 0.797619
274 A6D 0.416667 0.746988
275 K15 0.416667 0.666667
276 V1N 0.415929 0.893333
277 CMX 0.415385 0.804598
278 SCO 0.415385 0.804598
279 GEK 0.415094 0.719512
280 NHD 0.414634 0.881579
281 AIR 0.413793 0.876712
282 COK 0.413534 0.786517
283 G2R 0.412844 0.8625
284 FCX 0.412214 0.777778
285 ACO 0.412214 0.777778
286 FAM 0.412214 0.786517
287 NAP 0.410853 0.92
288 CNV FAD 0.409722 0.775281
289 FA9 0.409396 0.843373
290 HAX 0.409091 0.806818
291 PLP AAD 0.408 0.744444
292 TAP 0.407692 0.884615
293 2MC 0.407407 0.752688
294 GDD 0.40708 0.8625
295 GDC 0.40708 0.8625
296 GKE 0.40708 0.8625
297 FYN 0.406015 0.804598
298 U G A 0.405797 0.819277
299 NA0 0.40458 0.907895
300 101 0.404255 0.855263
301 5GP 0.40404 0.883117
302 G 0.40404 0.883117
303 MGP 0.403846 0.8625
304 SOP 0.402985 0.786517
305 OXK 0.402985 0.786517
306 MCD 0.402985 0.786517
307 CA6 0.402985 0.714286
308 3AD 0.402299 0.783784
309 YE1 0.40146 0.795455
310 GMV 0.4 0.873418
311 CMC 0.4 0.786517
312 1VU 0.4 0.777778
313 2VA 0.4 0.779221
314 NMX 0.4 0.782609
315 7RP 0.4 0.902778
316 CO6 0.4 0.786517
Ligand no: 2; Ligand: ORN; Similar ligands found: 50
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 0TF 0.536585 0.714286
9 LYS 0.53125 0.925926
10 DHH 0.53125 0.7
11 NPI 0.515152 0.7
12 ONH 0.515152 0.735294
13 HSE 0.5 0.733333
14 2RA 0.5 0.785714
15 26P 0.5 0.65625
16 6CL 0.5 0.758621
17 CIR 0.485714 0.735294
18 HCS 0.482759 0.814815
19 NVA 0.482759 0.714286
20 MLY 0.472222 0.631579
21 MLZ 0.472222 0.757576
22 ARG 0.472222 0.757576
23 DAR 0.472222 0.757576
24 2NP 0.472222 0.6
25 2YJ 0.465116 0.714286
26 MSE 0.454545 0.636364
27 2YG 0.454545 0.714286
28 DGL 0.451613 0.689655
29 GLN 0.451613 0.677419
30 GGL 0.451613 0.689655
31 GLU 0.451613 0.689655
32 DGN 0.451613 0.677419
33 DSN 0.444444 0.689655
34 SER 0.444444 0.689655
35 DBB 0.444444 0.666667
36 ABA 0.444444 0.666667
37 ALY 0.435897 0.735294
38 ILO 0.435897 0.757576
39 HRG 0.435897 0.757576
40 AS2 0.433333 0.62069
41 CYS 0.428571 0.740741
42 C2N 0.428571 0.703704
43 DCY 0.428571 0.740741
44 EXY 0.425 0.611111
45 NOT 0.425 0.705882
46 ONL 0.424242 0.625
47 2FM 0.416667 0.677419
48 HAR 0.414634 0.625
49 MET 0.411765 0.65625
50 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: 246
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)
1 3K5I ADP 7.889e-08 0.62455
2 3K5I ADP 1.482e-07 0.61259
3 3V4S ATP 1.488e-07 0.60536
4 4ME6 ADP 3.417e-05 0.56424
5 3ORQ ADP 3.608e-06 0.55205
6 3OWL 19E 7.118e-05 0.55085
7 1EHI ADP 7.589e-06 0.5439
8 3VPB ADP 2.254e-06 0.53788
9 3ETH ATP 1.835e-07 0.5375
10 3OWK 18E 0.0001211 0.53632
11 2IF8 ADP 0.0001166 0.53362
12 1AUX AGS 2.086e-05 0.53017
13 2YW2 ATP 1.341e-05 0.52714
14 2YW2 ATP 2.112e-05 0.51854
15 2ZV2 609 0.0001256 0.51798
16 1PK8 ATP 7.233e-06 0.5174
17 1PK8 ATP 7.764e-06 0.51616
18 1IOW ADP 1.025e-05 0.51293
19 1IOW PHY 1.025e-05 0.51293
20 4KWP EXX 0.0004127 0.50776
21 4LH7 1X8 0.0004884 0.50745
22 2IO8 ADP 2.057e-05 0.50374
23 4O2B ACP 6.616e-05 0.50199
24 1GSA ADP 3.305e-06 0.50184
25 1GSA ADP 3.305e-06 0.50184
26 1I7L ATP 2.591e-05 0.49961
27 1I7L ATP 2.591e-05 0.49961
28 2VQD AP2 6.457e-05 0.49734
29 3K5I AIR 2.718e-06 0.49475
30 3T7A ADP 5.12e-05 0.49472
31 2VPQ ANP 6.023e-06 0.49434
32 3I0O ADP 0.0003781 0.49413
33 3I0O ADP 0.0003781 0.49413
34 3K5I AIR 3.697e-06 0.49063
35 3VPC ADP 0.0001173 0.48134
36 1W2D ADP 0.0008428 0.47678
37 1E4E ADP 6.644e-06 0.47357
38 2PUL ACP 0.0004859 0.4727
39 2PUL ACP 0.0004859 0.4727
40 3VPD ANP 1.36e-05 0.47262
41 4GRB 0XG 0.00112 0.47063
42 4DFU QUE 0.001877 0.47036
43 1KJ8 ATP 3.678e-06 0.46705
44 1W2D ADP 0.001347 0.46663
45 3V4S ADP 6.494e-06 0.46416
46 4DFU QUE 0.001983 0.46349
47 1CM8 ANP 0.0008058 0.46248
48 1CM8 ANP 0.0008077 0.46244
49 1KJ8 GAR 4.031e-06 0.46065
50 4GYI ADP 0.001437 0.46013
51 2Q7D ANP 0.0002581 0.45848
52 4N70 2HX 0.001567 0.4583
53 4F1T H52 0.00277 0.45766
54 3RE4 TO1 0.001078 0.4566
55 4MBI 26K 0.002461 0.45357
56 2PYW ADP 0.0006773 0.45276
57 4CLJ 5P8 0.001323 0.45246
58 2B9J ADP 0.001524 0.4496
59 2Q7D ANP 0.0002822 0.44936
60 2Q7D ANP 0.0002822 0.44936
61 2J51 DKI 0.00156 0.44913
62 3BRB ADP 0.003955 0.44816
63 2PZI AXX 0.002626 0.44738
64 2PZI AXX 0.002674 0.447
65 4OH4 ANP 0.001488 0.4458
66 4F9A ADP 0.001908 0.44506
67 3AT4 CCK 0.0006908 0.44454
68 4F99 ADP 0.001959 0.44453
69 4CFU 2WC 0.002533 0.44361
70 3QBC B55 0.007585 0.44343
71 4BCN T9N 0.00318 0.44333
72 1U59 STU 0.001693 0.44325
73 4F9A ADP 0.002183 0.44234
74 1XR1 ANP 0.001442 0.44232
75 3VOT ADP 5.489e-06 0.44174
76 3VOT ADP 5.895e-06 0.44057
77 4CD0 AWJ 0.001062 0.44037
78 3BQC EMO 0.001071 0.44022
79 3RE4 TO1 0.004743 0.43935
80 4AT3 LTI 0.002742 0.43773
81 4BCQ TJF 0.006323 0.43772
82 2B9I ADP 0.002257 0.43756
83 3EYH IZA 0.002282 0.43734
84 4CNH 3U9 0.002333 0.4369
85 4OAC ADP 0.002363 0.43664
86 4N6Z 2HW 0.004362 0.43664
87 3QBC B55 0.009505 0.43636
88 4F1O ACP 0.004443 0.43625
89 2VZ6 FEF 0.004493 0.43601
90 4KBA 1QM 0.002463 0.43582
91 3GGF GVD 0.00477 0.43474
92 3BRB ADP 0.007271 0.43461
93 4BCN T9N 0.003991 0.43421
94 2VZ6 FEF 0.006334 0.43307
95 4F9C 0SX 0.003535 0.43259
96 3QBC B55 0.01103 0.43199
97 4E6Q 0NV 0.002461 0.43196
98 4FL3 ANP 0.001785 0.43071
99 3GGF GVD 0.004799 0.4304
100 3GGF GVD 0.004799 0.4304
101 2VAG V25 0.003314 0.42995
102 4AU8 Z3R 0.007402 0.42969
103 4AU8 Z3R 0.007402 0.42969
104 4CCU AWF 0.004139 0.4294
105 4KBA 1QM 0.006541 0.42806
106 2CBZ ATP 0.01129 0.42763
107 4OA2 ADP 0.003178 0.42701
108 4E4N 0NL 0.003917 0.42664
109 2RIF AMP 0.005985 0.42582
110 1IA9 ANP 0.003385 0.42578
111 3WVR AMP 5.316e-05 0.42573
112 1OBD ATP 0.007373 0.42552
113 4GW8 3RA 0.009111 0.42517
114 1TQP ATP 0.001753 0.42419
115 4E4N 0NL 0.003706 0.42403
116 4F1M ACP 0.006846 0.42304
117 2NRY STU 0.005689 0.42296
118 3E5A VX6 0.001605 0.42252
119 2Z7R STU 0.002818 0.42222
120 2AQX ATP 0.0003518 0.42203
121 4FG8 ATP 0.002867 0.4219
122 3KMW ATP 0.006097 0.42156
123 3SXS PP2 0.003519 0.42148
124 4FG8 ATP 0.003527 0.42143
125 2WU6 DKI 0.002472 0.42127
126 4AU8 Z3R 0.01114 0.42081
127 2OIC STU 0.009277 0.42064
128 3WO0 ADP 0.0001063 0.4205
129 3WO0 ALA 0.0001063 0.4205
130 2OIC STU 0.007757 0.42045
131 3PFF ADP 0.006496 0.42027
132 3PFF ADP 0.006496 0.42027
133 3EYG MI1 0.004571 0.41996
134 4E6Q 0NV 0.003856 0.41974
135 3JPV 1DR 0.01725 0.41969
136 1NJJ GET 0.01987 0.41932
137 4DCE 0JF 0.004066 0.41873
138 2NRY STU 0.007019 0.4187
139 4BCQ TJF 0.01262 0.41808
140 2NRY STU 0.00753 0.41728
141 1V0O INR 0.006376 0.41699
142 3DLS ADP 0.0001126 0.41679
143 4Q5H ANP 0.006545 0.41647
144 3TII ANP 6.241e-05 0.41619
145 3HZT J60 0.01397 0.41587
146 4E1Z 0MX 0.00339 0.41551
147 3DLS ADP 0.0001306 0.41544
148 3DLS ADP 0.0001306 0.41544
149 3DLS ADP 0.0001331 0.41502
150 3LKM AMP 0.005898 0.41501
151 4O4F ATP 0.0009214 0.4145
152 3LXN MI1 0.005078 0.4145
153 4CFU 2WC 0.01247 0.41436
154 4WHZ 3NL 0.004092 0.41421
155 4KBA 1QM 0.009069 0.41351
156 3IDB ANP 0.003865 0.41311
157 3DLS ADP 0.0001023 0.41303
158 3UDZ ADP 0.0003375 0.41278
159 2PVF ACP 0.009528 0.4125
160 3DLS ADP 9.949e-05 0.41245
161 4BTK DTQ 0.0003457 0.41238
162 4IZY 1J2 0.005695 0.41233
163 4I6H 1C8 0.008073 0.41231
164 2OIC STU 0.01378 0.41223
165 4UWH JXM 0.01161 0.41208
166 4O4F IHP 0.001386 0.41188
167 4MPO AMP 0.02532 0.41181
168 4R38 RBF 0.005882 0.41171
169 4R38 RBF 0.005882 0.41171
170 4DCE 0JF 0.00503 0.41142
171 4FOB 0US 0.004279 0.41125
172 4NFN 2KC 0.01021 0.41111
173 3DAK ANP 0.01218 0.41108
174 4BFM ANP 0.006177 0.41078
175 3ALN ANP 0.01038 0.41077
176 3DLS ADP 0.0001312 0.41051
177 4CS9 AMP 0.009634 0.41049
178 1JI0 ATP 0.02675 0.40959
179 1Z2P ACP 0.0002224 0.40957
180 1Z2P I3S 0.0002224 0.40957
181 4IVD 15T 0.006843 0.40883
182 4FOC 0UU 0.01151 0.40867
183 4IVD 15T 0.006931 0.40859
184 4F4P 0SB 0.006732 0.40832
185 3T50 FMN 0.008334 0.4083
186 1RRV TYD 0.01183 0.40811
187 4PMT 31Y 0.00845 0.40803
188 2OID ANP 0.008522 0.40786
189 2OIC STU 0.01705 0.4077
190 3DNT ATP 0.001552 0.40757
191 4X2J 3WN 0.01458 0.40735
192 4X2K 3WO 0.01458 0.40735
193 3UDZ ADP 0.0005554 0.40713
194 3UDZ ADP 0.0005554 0.40713
195 4IVC 1J6 0.00888 0.40706
196 2HGS ADP 0.001285 0.40701
197 3LQV ADE 0.02391 0.40681
198 4CNH 3U9 0.02135 0.40661
199 1U5R ATP 0.01291 0.40634
200 1Y57 MPZ 0.005597 0.40634
201 1U5R ATP 0.01291 0.40634
202 3TDV GDP 0.01118 0.40583
203 3C0I 3AM 0.006795 0.40581
204 4C58 824 0.01333 0.40569
205 2XNM WGZ 0.00357 0.40568
206 4KBA 1QM 0.01169 0.40496
207 4KBA 1QM 0.01169 0.40496
208 2PIE GLU LEU LYS TPO GLU ARG TYR 0.03773 0.40491
209 4OH4 ANP 0.0101 0.40456
210 4IVC 1J6 0.01013 0.40451
211 3HMO STU 0.01422 0.40436
212 2F2U M77 0.02404 0.40401
213 2A19 ANP 0.02418 0.40388
214 2X7I CIT 0.02426 0.40381
215 3KAL ADP 0.0009878 0.4036
216 3T50 FMN 0.01068 0.40347
217 3T50 FMN 0.01068 0.40347
218 3SLS ANP 0.007706 0.40347
219 4KS7 X4Z 0.00658 0.40339
220 4LRJ ANP 0.01502 0.40325
221 3AKK ADP 0.0004187 0.40259
222 4X0M 3WA 0.03088 0.40257
223 4MWH ATP 0.009558 0.40247
224 4MWH ATP 0.009558 0.40247
225 3UZP 0CK 0.01135 0.40229
226 3UZP 0CK 0.01135 0.40229
227 2WQN ADP 0.02199 0.40227
228 1V0O INR 0.01148 0.40206
229 2PR5 FMN 0.01154 0.40197
230 2PR5 FMN 0.01154 0.40197
231 3DAK ANP 0.01364 0.40188
232 3DAK ANP 0.01364 0.40188
233 2AWN ADP 0.03627 0.40175
234 3LQV ADE 0.03096 0.40161
235 4L3L 5FI 0.004555 0.4015
236 2O2U 738 0.01942 0.40138
237 3A7H ATP 0.01663 0.40119
238 3A7H ATP 0.01663 0.40119
239 3UZP 0CK 0.01423 0.40104
240 3AKK ADP 0.001125 0.40103
241 4EHZ JAK 0.02366 0.4007
242 3UYT 0CK 0.01253 0.40037
243 4LRJ ANP 0.01736 0.40031
244 2X1E X1E 0.03074 0.40019
245 1RRV TYD 0.01488 0.40015
246 3UYT 0CK 0.01273 0.40006
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)
Pocket No.: 3; 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: 3) in the query (biounit: 1t36.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 4; Query (leader) PDB : 1T36; Ligand: U; Similar sites found: 44
This union binding pocket(no: 4) in the query (biounit: 1t36.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1PKX XMP 4.703e-06 0.54416
2 1PKX XMP 4.77e-06 0.5439
3 4A1O JLN 1.091e-05 0.53051
4 4OHT NAP 0.0001761 0.48451
5 1IK4 PGH 0.001045 0.45396
6 3IWJ NAD 0.0003783 0.44907
7 4K7O EKZ 0.004312 0.44895
8 4K7O EKZ 0.004925 0.44421
9 2IMP NAI 0.002457 0.4439
10 4K7O EKZ 0.005194 0.44261
11 4I9B NAD 0.0005513 0.44037
12 1O9J NAD 0.002164 0.43884
13 2QE0 NAP 0.004022 0.43826
14 4KWG 2AK 0.007716 0.43369
15 4JDC NAD 0.002889 0.43317
16 4JDC NAD 0.002889 0.43317
17 2WOX NDP 0.003775 0.43296
18 4K7O EKZ 0.008361 0.43087
19 4I8P NAD 0.004135 0.42994
20 4KWG 2AK 0.009875 0.42775
21 4K7O EKZ 0.009724 0.4274
22 2BJK NAD 0.005721 0.42466
23 4A0M NAD 0.005995 0.42256
24 1DQN IMU 0.008053 0.4209
25 4FMS BDP 0.01022 0.42042
26 4BQS ADP 0.01283 0.41538
27 1LCF OXL 0.02322 0.41393
28 2Y5D NAP 0.008029 0.41042
29 4A6F SEP 0.01276 0.40977
30 4LH0 GLV 0.01345 0.40969
31 1GPM AMP 0.01642 0.40952
32 3PMA SCR 0.02241 0.40877
33 4FMS BDP 0.01797 0.40868
34 2WME NAP 0.005667 0.4041
35 2WME NAP 0.005817 0.40361
36 2X1L ADN 0.0108 0.40237
37 1LVW TYD 0.01582 0.40221
38 4OE4 NAD 0.006564 0.40136
39 3I27 SID 0.02447 0.40102
40 4R29 SAM 0.02042 0.4008
41 2C5S AMP 0.02044 0.40078
42 4ORM ORO 0.04827 0.40074
43 4ORM 2V6 0.04957 0.40074
44 4ORM FMN 0.04827 0.40074
Pocket No.: 5; Query (leader) PDB : 1T36; Ligand: ORN; Similar sites found: 35
This union binding pocket(no: 5) in the query (biounit: 1t36.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1SOX MTE 0.003806 0.4442
2 3ZJ0 ACO 0.007159 0.43685
3 2AQX ATP 0.006764 0.43321
4 1F06 NDP 0.02333 0.42101
5 1F06 NDP 0.02333 0.42101
6 1F06 2NP 0.02333 0.42101
7 1F06 2NP 0.02333 0.42101
8 4BHN BH9 0.01289 0.41878
9 4DS0 A2G GAL NAG FUC 0.01902 0.41734
10 1WY7 SAH 0.01633 0.41509
11 4Q9N NAI 0.02623 0.41496
12 1WY7 SAH 0.01588 0.4141
13 1WY7 SAH 0.0177 0.41328
14 1WY7 SAH 0.01678 0.41286
15 4K39 SAM 0.01335 0.41262
16 4K38 SAM 0.01462 0.41247
17 1NBU PH2 0.01028 0.41201
18 1DSS NAD 0.02442 0.41035
19 2BGC DTU 0.009439 0.40956
20 4KJG 4NP 0.0186 0.40824
21 4WLB TLA 0.01555 0.40744
22 4WLB TLA 0.01555 0.40744
23 4WLB TLA 0.01555 0.40744
24 1V8B NAD 0.04668 0.40652
25 1Q0S SAH 0.02814 0.4057
26 4K38 SAM 0.01985 0.40568
27 2BGC DTT 0.01142 0.40478
28 3MTX PGT 0.04943 0.40418
29 1KQR MNA 0.01061 0.40304
30 1OLM VTQ 0.03601 0.40271
31 1L1Q 9DA 0.02546 0.40184
32 4BHN BH9 0.03145 0.40173
33 1DL5 SAH 0.03871 0.40104
34 3CIF NAD 0.03903 0.40084
35 4QPM ADP 0.02545 0.40014
Pocket No.: 6; 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: 6) in the query (biounit: 1t36.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 7; 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: 7) in the query (biounit: 1t36.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 8; 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: 8) in the query (biounit: 1t36.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
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)
Pocket No.: 10; 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: 10) in the query (biounit: 1t36.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 11; 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: 11) in the query (biounit: 1t36.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 12; 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: 12) in the query (biounit: 1t36.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
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)
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)
Pocket No.: 15; 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: 15) in the query (biounit: 1t36.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
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)
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