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Receptor
PDB id Resolution Class Description Source Keywords
5O08 1.55 Å EC: 2.7.7.3 CRYSTAL STRUCTURE OF PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE MYCOBACTERIUM ABCESSUS IN COMPLEX WITH DEPHOSPHO-COENZYME A MYCOBACTERIUM ABSCESSUS (STRAIN ATCC 1DSM 44196 / CIP 104536 / JCM 13569 / NCTC 13031 / TMC 1543)ORGANISM_TAXID: 561007 COENZYME A BIOSYNTHESIS TRANSFERASE
Ref.: STRUCTURAL BIOLOGY AND THE DESIGN OF NEW THERAPEUTI HIV AND CANCER TO MYCOBACTERIAL INFECTIONS: A PAPER DEDICATED TO JOHN KENDREW. J. MOL. BIOL. V. 429 2677 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COD B:201;
A:201;
C:201;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
687.554 C21 H35 N7 O13 P2 S CC(C)...
EDO A:203;
B:202;
A:202;
C:202;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5O0B 1.74 Å EC: 2.7.7.3 CRYSTAL STRUCTURE OF PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE MYCOBACTERIUM ABCESSUS IN COMPLEX WITH 3-BROMO-1H-INDAZOLE-C ARBOXYLIC ACID (FRAGMENT 2) MYCOBACTERIUM ABSCESSUS (STRAIN ATCC 1DSM 44196 / CIP 104536 / JCM 13569 / NCTC 13031 / TMC 1543)ORGANISM_TAXID: 561007 COENZYME A BIOSYNTHESIS TRANSFERASE
Ref.: STRUCTURAL BIOLOGY AND THE DESIGN OF NEW THERAPEUTI HIV AND CANCER TO MYCOBACTERIAL INFECTIONS: A PAPER DEDICATED TO JOHN KENDREW. J. MOL. BIOL. V. 429 2677 2017
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 5O0A Kd = 0.58 mM 9FH C11 H10 N2 O2 Cc1c(cnn1c....
2 5O0D - 9F5 C14 H12 O4 c1ccc(cc1)....
3 5O0F - IOP C11 H11 N O2 c1ccc2c(c1....
4 5O08 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
5 5O0C - 9F8 C12 H13 N O2 Cc1cn(c2c1....
6 5O0B Kd = 66 uM 9FE C8 H5 Br N2 O2 c1cc2c(cc1....
7 5O0H - 9FN C14 H8 Cl N O5 c1ccc(c(c1....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3PNB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 3NBK - PNS C11 H23 N2 O7 P S CC(C)(COP(....
3 5O0A Kd = 0.58 mM 9FH C11 H10 N2 O2 Cc1c(cnn1c....
4 5O0D - 9F5 C14 H12 O4 c1ccc(cc1)....
5 5O0F - IOP C11 H11 N O2 c1ccc2c(c1....
6 5O08 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
7 5O0C - 9F8 C12 H13 N O2 Cc1cn(c2c1....
8 5O0B Kd = 66 uM 9FE C8 H5 Br N2 O2 c1cc2c(cc1....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6CHO ic50 = 167 nM F14 C21 H21 N5 O3 CC1=Nc2nc(....
2 6CHL Kd = 9 nM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
3 6CCN ic50 = 0.051 uM EXS C15 H21 N3 O4 CC(C)(CO)[....
4 6CCM ic50 = 5.6 uM EXP C13 H12 Br N5 O CC1=Nc2nc(....
5 6CHN Kd = 11 nM F1D C22 H25 N7 O4 CC1=Nc2nc(....
6 6B7C Kd = 7.2 uM CWP C13 H16 N6 Cc1ccc2c(n....
7 6B7A Kd = 32 uM CWM C8 H8 N2 O Cc1[nH]c2c....
8 6CCL ic50 = 273 uM EXG C13 H11 N3 c1ccc(cc1)....
9 1H1T - PNS C11 H23 N2 O7 P S CC(C)(COP(....
10 1GN8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 6CCK ic50 = 0.037 uM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
12 1B6T - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
13 6CHQ ic50 = 4.4 uM F0V C20 H19 Cl N5 Cc1ccc(cc1....
14 6CCQ ic50 = 0.25 uM EX7 C15 H13 Cl N2 O c1cc(cc(c1....
15 6CHP Kd = 0.075 nM F0Y C24 H28 N6 O2 Cc1ccc2c(n....
16 6CCS ic50 = 230 uM EXD C8 H5 F3 N2 O c1cc2c(c(c....
17 6CKW Kd = 0.83 nM F6D C24 H25 Cl N8 O Cc1cc(n2c(....
18 6B7D ic50 = 546 uM CWG C13 H13 Cl N2 O Cc1c(c(nnc....
19 6CCO ic50 = 0.051 uM EXV C19 H18 N2 O3 c1cc(cc(c1....
20 6B7B Kd = 1280 uM CWJ C10 H11 N O Cc1cc2cc(c....
21 1QJC - PNS C11 H23 N2 O7 P S CC(C)(COP(....
22 6CHM ic50 = 199 uM F1V C16 H22 N2 O2 CC(C)(C)C(....
23 6B7E ic50 = 320.6 uM CWA C15 H14 F2 N2 O2 CC1([C@@H]....
24 3ND7 - PNY C11 H22 N2 O4 S CC(C)(CO)[....
25 3ND6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 3UC5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 3PNB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
28 3NBK - PNS C11 H23 N2 O7 P S CC(C)(COP(....
29 1OD6 - PNS C11 H23 N2 O7 P S CC(C)(COP(....
30 5O0A Kd = 0.58 mM 9FH C11 H10 N2 O2 Cc1c(cnn1c....
31 5O0D - 9F5 C14 H12 O4 c1ccc(cc1)....
32 5O0F - IOP C11 H11 N O2 c1ccc2c(c1....
33 5O08 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
34 5O0C - 9F8 C12 H13 N O2 Cc1cn(c2c1....
35 5O0B Kd = 66 uM 9FE C8 H5 Br N2 O2 c1cc2c(cc1....
36 5O0H - 9FN C14 H8 Cl N O5 c1ccc(c(c1....
37 3K9W - ADE C5 H5 N5 c1[nH]c2c(....
38 3PXU - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
39 1O6B - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
40 4NAU - 2W3 C25 H26 Cl2 N6 O4 CCc1cc(nc(....
41 4NAH - 2VJ C24 H25 Cl2 N5 O3 S CCc1cc(nc(....
42 3F3M - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
43 4NAT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 4RUK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
45 3X1J Ki = 8.4 uM ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
46 3X1M Ki = 6.5 uM COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
47 1VLH - PNS C11 H23 N2 O7 P S CC(C)(COP(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COD; Similar ligands found: 338
No: Ligand ECFP6 Tc MDL keys Tc
1 COD 1 1
2 COA 0.810345 0.988235
3 0T1 0.721311 0.965116
4 DCA 0.719008 0.942529
5 COS 0.717742 0.965517
6 ETB 0.704918 0.909091
7 30N 0.704 0.903226
8 AMX 0.704 0.976471
9 CAO 0.704 0.954545
10 SCO 0.698413 0.965116
11 CMX 0.698413 0.965116
12 ACO 0.692913 0.954545
13 FAM 0.692913 0.943182
14 FCX 0.692913 0.932584
15 HAX 0.6875 0.943182
16 7L1 0.685039 0.954545
17 3KK 0.682171 0.965517
18 FYN 0.682171 0.988235
19 2MC 0.679389 0.923077
20 CA6 0.676923 0.875
21 OXK 0.676923 0.965517
22 SOP 0.676923 0.965517
23 COK 0.676923 0.965517
24 MCD 0.676923 0.943182
25 1VU 0.671756 0.954545
26 CMC 0.671756 0.965517
27 CO6 0.671756 0.965517
28 NMX 0.671756 0.892473
29 CAJ 0.666667 0.943182
30 SCD 0.666667 0.965116
31 2CP 0.664179 0.954545
32 BCO 0.661654 0.965517
33 3HC 0.661654 0.976744
34 A1S 0.661654 0.965517
35 MLC 0.661654 0.965517
36 IVC 0.661654 0.976744
37 1HE 0.661654 0.94382
38 CAA 0.656716 0.976744
39 MCA 0.656716 0.954545
40 YE1 0.656716 0.954023
41 COO 0.656716 0.965517
42 MC4 0.651852 0.913043
43 SCA 0.651852 0.965517
44 3CP 0.647059 0.965517
45 COF 0.647059 0.94382
46 HGG 0.647059 0.965517
47 COW 0.647059 0.954545
48 CA8 0.647059 0.875
49 2KQ 0.647059 0.94382
50 BYC 0.647059 0.965517
51 1GZ 0.647059 0.954545
52 IRC 0.647059 0.976744
53 CO7 0.644444 0.965517
54 4CA 0.642336 0.954545
55 BCA 0.642336 0.954545
56 FAQ 0.642336 0.965517
57 1CZ 0.640288 0.954545
58 1CV 0.638298 0.965517
59 GRA 0.637681 0.965517
60 HXC 0.637681 0.94382
61 TGC 0.633094 0.954545
62 S0N 0.628571 0.943182
63 2NE 0.628571 0.94382
64 CIC 0.628571 0.965517
65 CO8 0.628571 0.94382
66 5F9 0.624114 0.94382
67 DCC 0.624114 0.94382
68 4CO 0.624114 0.954545
69 0FQ 0.624114 0.965517
70 ST9 0.624114 0.94382
71 MYA 0.624114 0.94382
72 UCC 0.624114 0.94382
73 MFK 0.624114 0.94382
74 0ET 0.619718 0.94382
75 01A 0.619718 0.923077
76 CS8 0.615385 0.933333
77 WCA 0.615385 0.94382
78 NHW 0.611111 0.94382
79 4KX 0.611111 0.933333
80 UOQ 0.611111 0.94382
81 NHM 0.611111 0.94382
82 HDC 0.611111 0.94382
83 A2D 0.607843 0.811765
84 MRR 0.606897 0.94382
85 MRS 0.606897 0.94382
86 HFQ 0.606897 0.94382
87 DAK 0.60274 0.933333
88 YNC 0.60274 0.954545
89 8Z2 0.598639 0.933333
90 PTJ 0.594828 0.860465
91 NHQ 0.590604 0.976744
92 F8G 0.585526 0.903226
93 COT 0.585526 0.965517
94 1HA 0.582781 0.94382
95 BA3 0.580952 0.811765
96 01K 0.578947 0.965517
97 AGS 0.577982 0.795455
98 SAP 0.577982 0.795455
99 CA3 0.577922 0.965517
100 B4P 0.575472 0.811765
101 ADP 0.575472 0.811765
102 AP5 0.575472 0.811765
103 PAJ 0.573913 0.894118
104 AT4 0.570093 0.804598
105 AN2 0.570093 0.802326
106 APR 0.568807 0.811765
107 AR6 0.568807 0.811765
108 M33 0.564815 0.823529
109 OAD 0.564103 0.835294
110 CCQ 0.561644 0.923077
111 CA5 0.559748 0.923077
112 HEJ 0.559633 0.811765
113 ATP 0.559633 0.811765
114 JBT 0.554913 0.884211
115 3OD 0.554622 0.835294
116 AQP 0.554545 0.811765
117 5FA 0.554545 0.811765
118 9X8 0.550847 0.816092
119 CA0 0.550459 0.813953
120 AD9 0.54955 0.793103
121 5AL 0.548673 0.823529
122 93P 0.546584 0.954545
123 UCA 0.546584 0.94382
124 ACP 0.545455 0.813953
125 ATF 0.54386 0.784091
126 A22 0.543103 0.802326
127 ANP 0.539823 0.793103
128 SRP 0.53913 0.847059
129 8QN 0.538462 0.823529
130 48N 0.535433 0.818182
131 A1R 0.533898 0.892857
132 OXT 0.532164 0.903226
133 HMG 0.530201 0.954023
134 93M 0.53012 0.954545
135 AHX 0.529412 0.83908
136 TXA 0.528926 0.825581
137 PRX 0.526786 0.835294
138 ACQ 0.526316 0.813953
139 COA PLM 0.523179 0.932584
140 PLM COA 0.523179 0.932584
141 YLB 0.523077 0.918605
142 ADX 0.522523 0.76087
143 A3R 0.521008 0.892857
144 4AD 0.521008 0.837209
145 ADQ 0.521008 0.813953
146 AMP 0.518868 0.788235
147 A 0.518868 0.788235
148 ABM 0.518519 0.790698
149 50T 0.517857 0.781609
150 BIS 0.516393 0.806818
151 1ZZ 0.516393 0.852273
152 NB8 0.516393 0.818182
153 OMR 0.515385 0.863636
154 F2R 0.514925 0.853933
155 6YZ 0.512821 0.813953
156 25L 0.512195 0.802326
157 YLP 0.511628 0.896552
158 AMO 0.508333 0.847059
159 WAQ 0.508197 0.870588
160 DAL AMP 0.504202 0.802326
161 00A 0.504132 0.766667
162 DLL 0.504132 0.802326
163 FYA 0.504065 0.823529
164 ME8 0.504065 0.852273
165 BSJ 0.50289 0.933333
166 TAT 0.5 0.804598
167 25A 0.5 0.790698
168 4BN 0.5 0.903226
169 XAH 0.5 0.873563
170 SRA 0.5 0.772727
171 9ZA 0.5 0.806818
172 9ZD 0.5 0.806818
173 AFH 0.5 0.788889
174 T99 0.5 0.804598
175 OOB 0.5 0.802326
176 5TW 0.5 0.903226
177 NAI 0.496183 0.786517
178 TXD 0.496183 0.827586
179 6V0 0.496183 0.797753
180 DQV 0.496124 0.823529
181 LAD 0.495935 0.894118
182 AU1 0.495575 0.793103
183 AP2 0.495495 0.825581
184 A12 0.495495 0.825581
185 TXE 0.492424 0.827586
186 LAQ 0.492308 0.831461
187 YAP 0.492063 0.816092
188 B5Y 0.492063 0.795455
189 ASP ASP ASP ILE CMC NH2 0.490909 0.943182
190 4PS 0.490566 0.670588
191 YLC 0.488722 0.895349
192 AP0 0.488722 0.777778
193 3UK 0.487805 0.793103
194 5SV 0.487603 0.83908
195 GAP 0.487179 0.813953
196 APC 0.486957 0.825581
197 SON 0.486726 0.825581
198 CNA 0.485294 0.825581
199 DND 0.484848 0.804598
200 NXX 0.484848 0.804598
201 NAX 0.484848 0.820225
202 GTA 0.484615 0.771739
203 4UV 0.484375 0.775281
204 PR8 0.483871 0.905882
205 B5V 0.483871 0.784091
206 52H 0.483333 0.776596
207 FA5 0.480315 0.825581
208 B5M 0.480315 0.795455
209 ADJ 0.477941 0.822222
210 ARG AMP 0.476923 0.822222
211 GA7 0.476923 0.847059
212 BT5 0.47482 0.844444
213 AYB 0.474453 0.908046
214 9SN 0.472441 0.758242
215 YLY 0.471831 0.908046
216 80F 0.471429 0.793478
217 IOT 0.470588 0.865169
218 ADV 0.470085 0.825581
219 RBY 0.470085 0.825581
220 ADP PO3 0.470085 0.788235
221 G3A 0.469231 0.777778
222 MAP 0.467213 0.775281
223 TSB 0.467213 0.755319
224 YLA 0.467153 0.875
225 7MC 0.466667 0.896552
226 FB0 0.466667 0.9
227 ADP ALF 0.466667 0.736264
228 ALF ADP 0.466667 0.736264
229 G5P 0.465649 0.777778
230 7MD 0.465649 0.895349
231 MYR AMP 0.464567 0.831461
232 4UW 0.462687 0.769231
233 TYR AMP 0.461538 0.795455
234 TYM 0.459259 0.825581
235 5CA 0.455285 0.776596
236 53H 0.455285 0.776596
237 NAQ 0.455172 0.797753
238 A5A 0.454545 0.744681
239 4UU 0.454545 0.775281
240 ADP BMA 0.452381 0.793103
241 LEU LMS 0.452381 0.789474
242 UP5 0.451852 0.795455
243 ADP VO4 0.45082 0.781609
244 VO4 ADP 0.45082 0.781609
245 A3D 0.450704 0.813953
246 54H 0.447154 0.765957
247 VMS 0.447154 0.765957
248 A2R 0.447154 0.802326
249 T5A 0.446043 0.833333
250 ATR 0.445378 0.788235
251 PAP 0.445378 0.8
252 JB6 0.445312 0.827586
253 NVA LMS 0.444444 0.770833
254 LPA AMP 0.444444 0.811111
255 A4P 0.442029 0.776596
256 ACE SER ASP ALY THR NH2 COA 0.441989 0.943182
257 G5A 0.441667 0.776596
258 191 0.441558 0.85567
259 5AS 0.439655 0.757895
260 AMP DBH 0.439394 0.752809
261 SSA 0.439024 0.776596
262 NAE 0.438356 0.816092
263 LMS 0.4375 0.723404
264 GSU 0.4375 0.757895
265 2A5 0.436975 0.835294
266 BTX 0.43662 0.853933
267 NAD 0.43662 0.802326
268 NSS 0.436508 0.757895
269 LSS 0.436508 0.797872
270 EAD 0.436242 0.8
271 139 0.435714 0.840909
272 RFC 0.435583 0.94382
273 SFC 0.435583 0.94382
274 4TC 0.434783 0.797753
275 NDE 0.434211 0.784091
276 A4D 0.433962 0.72619
277 ZID 0.432432 0.793103
278 N0B 0.432432 0.875
279 PNS 0.429907 0.670588
280 AOC 0.429825 0.689655
281 NA7 0.429688 0.847059
282 AF3 ADP 3PG 0.427536 0.75
283 AHZ 0.426471 0.771739
284 A A 0.426357 0.770115
285 DSZ 0.425197 0.757895
286 P1H 0.424837 0.822222
287 UPA 0.42446 0.806818
288 ATP A A A 0.424242 0.77907
289 SFD 0.424051 0.752475
290 FDA 0.423077 0.806452
291 6AD 0.422764 0.788889
292 7D3 0.422414 0.781609
293 FNK 0.42236 0.83871
294 62F 0.42236 0.852273
295 YSA 0.421053 0.739583
296 6RE 0.421053 0.719101
297 6FA 0.420382 0.833333
298 ITT 0.420168 0.767442
299 7D4 0.420168 0.781609
300 NJP 0.41958 0.795455
301 P5F 0.419162 0.797872
302 TAD 0.419118 0.829545
303 RAB 0.419048 0.72619
304 ADN 0.419048 0.72619
305 XYA 0.419048 0.72619
306 M2T 0.418182 0.715909
307 0WD 0.416667 0.777778
308 9JJ 0.415663 0.752688
309 KAA 0.415385 0.808511
310 FAS 0.415094 0.842697
311 FAD 0.415094 0.842697
312 F2N 0.414201 0.827957
313 DZD 0.413793 0.850575
314 J7C 0.413793 0.727273
315 M24 0.412162 0.741935
316 AR6 AR6 0.411765 0.770115
317 ARU 0.410853 0.769231
318 NDC 0.410256 0.83908
319 ODP 0.409722 0.769231
320 8X1 0.409449 0.770833
321 EP4 0.409091 0.732558
322 RFL 0.408537 0.835165
323 5CD 0.407407 0.674419
324 3DH 0.40708 0.689655
325 AMP NAD 0.406897 0.781609
326 A3P 0.40678 0.788235
327 HFD 0.406504 0.775281
328 AVV 0.40625 0.818182
329 NDP 0.405594 0.777778
330 A3G 0.405172 0.77381
331 A3T 0.404959 0.75
332 P5A 0.40458 0.819149
333 8PZ 0.402985 0.757895
334 TXP 0.402778 0.818182
335 FAY 0.402439 0.831461
336 9K8 0.401515 0.666667
337 BV8 0.40107 0.891304
338 PPS 0.4 0.741935
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5O0B; Ligand: 9FE; Similar sites found with APoc: 123
This union binding pocket(no: 1) in the query (biounit: 5o0b.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 6BJO DUY None
2 1L5Y BEF None
3 5DK4 5BX 1.23457
4 5DK4 ATP 1.23457
5 4INW 1EY 2.14286
6 1PFY MSP 2.46914
7 1KNY KAN 2.46914
8 1KZL CRM 2.46914
9 5E6O TRP GLU GLU LEU 2.54237
10 3G6N MET ALA SER 3.08642
11 5XJ7 87O 3.08642
12 4Q0A 4OA 3.08642
13 2YP9 SIA CMO 3.08642
14 3X01 AMP 3.08642
15 1TE2 PGA 3.08642
16 2RBK VN4 3.08642
17 5NE2 DGL 3.08642
18 1X8X TYR 3.08642
19 5Y0T TAT 3.7037
20 1L7N ALF 3.7037
21 6E1Q CFA 3.7037
22 4ETZ C2E 3.7037
23 3A3B RBF 3.7037
24 1HSL HIS 3.7037
25 1Z03 OCH 3.7037
26 3A3B FMN 3.7037
27 4HMX FMN 3.7037
28 2Y7I ARG 3.7037
29 2VWA PTY 3.9604
30 1YID ATP 4.32099
31 2CYB TYR 4.32099
32 1MJT ITU 4.32099
33 4LHD GLY 4.32099
34 2CYC TYR 4.32099
35 4MAF ADX 4.32099
36 1J09 ATP 4.32099
37 1GZF NIR 4.32099
38 1GZF ADP 4.32099
39 2W5P CL8 4.69799
40 5OCA 9QZ 4.93827
41 2HBL AMP 4.93827
42 2VNO GAL GAL FUC 4.93827
43 3VV5 SLZ 4.93827
44 3OCP CMP 5.03597
45 5ZDK ATP 5.55556
46 3AFH GSU 5.55556
47 1RQL VSO 5.55556
48 5U97 PIT 5.55556
49 1JIL 485 5.55556
50 3GD8 GOL 5.55556
51 2PID YSA 5.55556
52 1V47 ADX 6.17284
53 5Y0N ATP 6.17284
54 2B6N ALA PRO THR 6.17284
55 1JGS SAL 6.52174
56 5YSI NCA 6.57895
57 5V03 658 6.71141
58 2X0K PPV 6.79012
59 5JOG 6LT 6.79012
60 3NIP 16D 6.79012
61 5W3X ACO 6.79012
62 2JFN UMA 6.79012
63 5W3Y ACO 6.79012
64 1RJW ETF 6.79012
65 3W68 PBU 7.40741
66 6CS8 F9Y 7.40741
67 2P69 PLP 7.40741
68 2Z3U CRR 7.40741
69 5V3Y 5V8 7.40741
70 4ZQX ATP 8.02469
71 5LNW HG3 8.02469
72 2JAR UMP 8.02469
73 3O5N BR0 8.03571
74 3KP6 SAL 8.60927
75 3HL4 CDC 8.64198
76 5IM3 DTP 8.64198
77 3IWK NAD 9.25926
78 3THR C2F 9.25926
79 1H3F TYE 9.25926
80 5T96 79J 9.25926
81 5LLT DND 9.38967
82 1B4P GPS 9.87654
83 3HQ9 OXL 10.4938
84 4B1X LAB 10.4938
85 5ZZA LAB 10.4938
86 5ZZB LAB 10.4938
87 5YEE LAB 10.4938
88 2H29 DND 11.1111
89 3C8Z 5CA 11.1111
90 2X1L MET 11.1111
91 5EXK MET 11.1111
92 2X1L ADN 11.1111
93 5X3D 7XL 11.25
94 4NTX AMR 11.6667
95 5IUY BOG 12.3457
96 3RS8 ALA TRP LEU PHE GLU ALA 12.3457
97 1K3A ACP 12.3457
98 5Y0Q APC 12.963
99 3ZIU LSS 12.963
100 1KKR 2AS 12.963
101 3KFL ME8 13.5802
102 4HNN LYS 13.5802
103 5Z20 OXM 14.1975
104 5OCQ CIT 14.8148
105 5LX9 OLB 15.4321
106 4RYV ZEA 15.4839
107 2X3F APC 16.6667
108 4YP5 NAP 17.284
109 2QTR NXX 18.5185
110 4TUZ 36J 18.5185
111 1YUM NCN 19.1358
112 1F9A ATP 19.1358
113 1A05 IPM 19.7531
114 1LSH PLD 20.9877
115 1KQN NAD 22.8395
116 1NUS NMN 22.8395
117 1NUS APC 22.8395
118 3COW 52H 24.6914
119 2V0C LEU LMS 27.7778
120 1N1D C2G 27.907
121 6FX2 FUC C4W NAG BMA MAN NAG GAL 34.8837
122 1K4M NAD 45.679
123 1K4M CIT 45.679
Pocket No.: 2; Query (leader) PDB : 5O0B; Ligand: 9FE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5o0b.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5O0B; Ligand: 9FE; Similar sites found with APoc: 74
This union binding pocket(no: 3) in the query (biounit: 5o0b.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 1RL4 BRR None
3 6GMN F4E None
4 5C79 PBU None
5 3SJK LYS PRO VAL LEU ARG THR ALA None
6 2FKA BEF None
7 4WG0 CHD None
8 1U29 I3P None
9 2VSL MAA LYS PRO PHE None
10 6E2B PT7 None
11 3E3U NVC 1.85185
12 3O01 DXC 1.85185
13 2C5S AMP 2.46914
14 3GLC R5P 2.46914
15 3GQK ATP 2.46914
16 1UY4 XYP XYP XYP XYP 2.75862
17 5YW5 ADE 3.08642
18 5KJW 53C 3.08642
19 5N5U AMP 3.08642
20 1DTL BEP 3.10559
21 1FK5 OLA 3.22581
22 5MTE BB2 3.64964
23 3F5A SIA GAL NAG 3.7037
24 2GN2 C5P 3.7037
25 2QHV OC9 3.7037
26 4RKK GLC GLC GLC GLC GLC GLC 3.7037
27 2QHS OCA 3.7037
28 1PVC ILE SER GLU VAL 3.7037
29 5WSY 7UC 3.7037
30 1L7N AF3 3.7037
31 6DA9 FMN 3.7037
32 4O4Z N2O 3.8961
33 1SQL GUN 4.10959
34 5C9P FUC 4.32099
35 1XX6 ADP 4.32099
36 2BHW NEX 4.32099
37 4UCI GTP 4.32099
38 1WDK N8E 4.93827
39 1GPM AMP 4.93827
40 4J75 TYM 4.93827
41 3AQT RCO 4.93827
42 4F8L AES 5.51724
43 3NZ1 3NY 5.55556
44 3PA8 621 5.55556
45 1VMK GUN 5.55556
46 1R6U TYM 5.55556
47 5YRV 5AD 5.55556
48 1R6T TYM 5.55556
49 5AHW CMP 6.12245
50 2G30 ALA ALA PHE 6.17284
51 2EB5 OXL 6.17284
52 5IFK HPA 6.17284
53 3G5K BB2 6.79012
54 3KO0 TFP 6.93069
55 6ACS CIT 7.40741
56 5N26 73M 8.02469
57 2UXR ICT 8.02469
58 5WXU FLC 8.64198
59 1XK9 P34 8.64198
60 1C1X HFA 9.87654
61 4UTU LRY 10.0437
62 4UTW RFW 10.0437
63 2BCG GER 10.4938
64 1H5R THM 11.7284
65 1H5S TMP 11.7284
66 3Q3H UDP 12.963
67 2BP1 FLC 13.5802
68 5FIT AP2 13.5802
69 1UJP CIT 14.1975
70 6FA4 D1W 14.8148
71 5OCG 9R5 14.8148
72 4HY1 19X 18.5185
73 6EK3 OUL 19.7531
74 1YFS ALA 24.0741
Pocket No.: 4; Query (leader) PDB : 5O0B; Ligand: 9FE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5o0b.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5O0B; Ligand: 9FE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5o0b.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5O0B; Ligand: 9FE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5o0b.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5O0B; Ligand: 9FE; Similar sites found with APoc: 20
This union binding pocket(no: 7) in the query (biounit: 5o0b.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 2QQD AG2 None
2 1R6N 434 None
3 1UO4 PIH None
4 6D61 4AA None
5 4CT7 TRP 1.85185
6 3V78 ET 3.7037
7 4C2G ALA ALA ALA ALA 3.7037
8 3CNL GNP 4.32099
9 5VCM UDP 4.32099
10 1WOQ BGC 6.17284
11 2Y91 98J 6.41509
12 4IRP UDP 6.79012
13 1M26 GAL A2G 7.5188
14 4UYW H1S 9.25926
15 3ZUY TCH 9.87654
16 1NFS DED 10.4938
17 3X0D SAH 11.1111
18 1B74 DGN 13.5802
19 1CT9 AMP 16.6667
20 2GKS ADP 20.9877
Pocket No.: 8; Query (leader) PDB : 5O0B; Ligand: 9FE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5o0b.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5O0B; Ligand: 9FE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 5o0b.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 5O0B; Ligand: 9FE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 5o0b.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 5O0B; Ligand: 9FE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 5o0b.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 5O0B; Ligand: 9FE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 5o0b.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
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