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Receptor
PDB id Resolution Class Description Source Keywords
2E5A 2.1 Å EC: 6.-.-.- CRYSTAL STRUCTURE OF BOVINE LIPOYLTRANSFERASE IN COMPLEX WITH LIPOYL-AMP BOS TAURUS LIPOYLTRANSFERASE LIPOYL-AMP LIGASE
Ref.: CRYSTAL STRUCTURE OF BOVINE LIPOYLTRANSFERASE IN COMPLEX WITH LIPOYL-AMP J.MOL.BIOL. V. 371 222 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:5001;
Invalid;
none;
submit data
60.052 C2 H4 O2 CC(=O...
LAQ A:2001;
Valid;
none;
submit data
535.532 C18 H26 N5 O8 P S2 c1nc(...
MG A:3001;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:4001;
A:4002;
Invalid;
Invalid;
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
2E5A 2.1 Å EC: 6.-.-.- CRYSTAL STRUCTURE OF BOVINE LIPOYLTRANSFERASE IN COMPLEX WITH LIPOYL-AMP BOS TAURUS LIPOYLTRANSFERASE LIPOYL-AMP LIGASE
Ref.: CRYSTAL STRUCTURE OF BOVINE LIPOYLTRANSFERASE IN COMPLEX WITH LIPOYL-AMP J.MOL.BIOL. V. 371 222 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 2E5A - LAQ C18 H26 N5 O8 P S2 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 2E5A - LAQ C18 H26 N5 O8 P S2 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 2E5A - LAQ C18 H26 N5 O8 P S2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LAQ; Similar ligands found: 256
No: Ligand ECFP6 Tc MDL keys Tc
1 LAQ 1 1
2 LPA AMP 0.813725 0.975
3 WAQ 0.722772 0.925
4 1ZZ 0.715686 0.880952
5 BT5 0.652542 0.916667
6 CA0 0.639175 0.864198
7 DLL 0.607477 0.875
8 TXA 0.605505 0.853659
9 A2D 0.604167 0.839506
10 OOB 0.603774 0.875
11 5AL 0.601942 0.875
12 AN2 0.59596 0.829268
13 AT4 0.59596 0.876543
14 00A 0.592593 0.833333
15 BA3 0.591837 0.839506
16 ME8 0.590909 0.837209
17 SRP 0.590476 0.853659
18 M33 0.59 0.829268
19 8QN 0.588785 0.875
20 3UK 0.587156 0.864198
21 B4P 0.585859 0.839506
22 AP5 0.585859 0.839506
23 ADP 0.585859 0.839506
24 ACP 0.584158 0.819277
25 PAJ 0.583333 0.813953
26 PR8 0.581818 0.891566
27 YAP 0.575221 0.843373
28 ADX 0.574257 0.804598
29 AMP 0.572917 0.8375
30 A 0.572917 0.8375
31 SAP 0.572816 0.865854
32 AGS 0.572816 0.865854
33 MYR AMP 0.571429 0.858824
34 4AD 0.568807 0.843373
35 AMO 0.568807 0.853659
36 HEJ 0.568627 0.839506
37 ATP 0.568627 0.839506
38 50T 0.568627 0.807229
39 B5V 0.567568 0.853659
40 LAD 0.567568 0.879518
41 9SN 0.566372 0.823529
42 5FA 0.563107 0.839506
43 AR6 0.563107 0.8625
44 PRX 0.563107 0.841463
45 AQP 0.563107 0.839506
46 APR 0.563107 0.8625
47 PTJ 0.5625 0.823529
48 ACQ 0.561905 0.819277
49 GAP 0.561905 0.841463
50 FA5 0.561404 0.853659
51 AP2 0.56 0.831325
52 A12 0.56 0.831325
53 OAD 0.558559 0.864198
54 AD9 0.557692 0.819277
55 ABM 0.555556 0.817073
56 SON 0.54902 0.876543
57 3OD 0.548673 0.864198
58 NB8 0.548673 0.823529
59 B5Y 0.547826 0.843373
60 B5M 0.547826 0.843373
61 ANP 0.54717 0.819277
62 6YZ 0.546296 0.819277
63 OMR 0.545455 0.870588
64 IOT 0.544715 0.850575
65 4UU 0.542373 0.843373
66 A3R 0.540541 0.833333
67 ADQ 0.540541 0.841463
68 4UW 0.53719 0.813953
69 ATF 0.537037 0.809524
70 A22 0.536364 0.829268
71 AHX 0.535714 0.802326
72 SRA 0.535354 0.864198
73 APC 0.533333 0.831325
74 25A 0.531532 0.839506
75 5SV 0.531532 0.845238
76 9X8 0.530973 0.865854
77 AU1 0.528846 0.819277
78 ADV 0.528302 0.853659
79 RBY 0.528302 0.853659
80 A1R 0.526786 0.833333
81 4UV 0.525424 0.843373
82 NAX 0.52459 0.804598
83 DAL AMP 0.522523 0.851852
84 FYA 0.521739 0.829268
85 TYM 0.520325 0.853659
86 TAT 0.518519 0.876543
87 T99 0.518519 0.876543
88 XAH 0.516949 0.837209
89 YLP 0.516393 0.860465
90 YLB 0.516129 0.860465
91 NXX 0.512195 0.853659
92 DND 0.512195 0.853659
93 BIS 0.508621 0.833333
94 9ZD 0.504425 0.833333
95 9ZA 0.504425 0.833333
96 25L 0.504274 0.829268
97 48N 0.504065 0.823529
98 YLC 0.504 0.858824
99 BTX 0.503876 0.904762
100 ADP PO3 0.5 0.8375
101 DQV 0.5 0.851852
102 NAI 0.5 0.811765
103 TXD 0.5 0.833333
104 YLY 0.496241 0.850575
105 COD 0.492308 0.831461
106 YLA 0.492188 0.860465
107 GA7 0.491803 0.788235
108 ADP VO4 0.491071 0.829268
109 VO4 ADP 0.491071 0.829268
110 AYB 0.488372 0.850575
111 CNA 0.488372 0.831325
112 6V0 0.488 0.802326
113 TYR AMP 0.487603 0.821429
114 A3D 0.484848 0.841463
115 F2R 0.484615 0.818182
116 TXE 0.484127 0.833333
117 G3A 0.483607 0.802326
118 MAP 0.482456 0.8
119 ADP ALF 0.482143 0.77907
120 ALF ADP 0.482143 0.77907
121 NAD 0.480916 0.851852
122 ADJ 0.48062 0.827586
123 LMS 0.480392 0.784091
124 AP0 0.480315 0.781609
125 G5P 0.479675 0.802326
126 7MD 0.479675 0.858824
127 AFH 0.479675 0.793103
128 ADP BMA 0.478632 0.819277
129 DZD 0.477273 0.835294
130 A4P 0.476562 0.741935
131 TAD 0.475806 0.879518
132 AMP DBH 0.47541 0.797619
133 A A 0.474576 0.817073
134 AOC 0.471154 0.731707
135 JB6 0.470588 0.901235
136 8X1 0.469565 0.755319
137 TSB 0.469565 0.777778
138 T5A 0.469231 0.797753
139 G5A 0.468468 0.76087
140 ARG AMP 0.467742 0.806818
141 5AS 0.46729 0.76087
142 GTA 0.464 0.775281
143 N0B 0.463768 0.860465
144 M24 0.463235 0.804598
145 XYA 0.463158 0.728395
146 ADN 0.463158 0.728395
147 RAB 0.463158 0.728395
148 P5A 0.462185 0.804348
149 54H 0.46087 0.769231
150 VMS 0.46087 0.769231
151 52H 0.46087 0.76087
152 AHZ 0.460317 0.858824
153 PAP 0.459459 0.82716
154 ATP A A A 0.459016 0.82716
155 139 0.458015 0.825581
156 A3P 0.457944 0.8375
157 UPA 0.457364 0.811765
158 4TC 0.457364 0.802326
159 7MC 0.457364 0.83908
160 NAQ 0.456522 0.802326
161 A5A 0.45614 0.786517
162 AR6 AR6 0.456 0.839506
163 UP5 0.453125 0.821429
164 SSA 0.452174 0.76087
165 80F 0.451852 0.818182
166 2A5 0.45045 0.819277
167 AF3 ADP 3PG 0.449612 0.793103
168 DSZ 0.449153 0.78022
169 5CD 0.44898 0.716049
170 AMP NAD 0.447761 0.851852
171 PPS 0.447368 0.784091
172 ATR 0.446429 0.814815
173 DTA 0.445545 0.7875
174 53H 0.444444 0.76087
175 NDE 0.444444 0.831325
176 5CA 0.444444 0.76087
177 YSA 0.443548 0.76087
178 ZID 0.442857 0.841463
179 3AM 0.442308 0.802469
180 MTA 0.441176 0.710843
181 NAE 0.438849 0.821429
182 5N5 0.438776 0.707317
183 649 0.438462 0.804348
184 GSU 0.438017 0.8
185 KAA 0.438017 0.793478
186 LSS 0.436975 0.744681
187 NSS 0.436975 0.76087
188 7D5 0.436893 0.783133
189 EAD 0.43662 0.784091
190 A2R 0.435897 0.851852
191 8PZ 0.435484 0.76087
192 7D3 0.435185 0.785714
193 6AD 0.434783 0.813953
194 P1H 0.434483 0.786517
195 9K8 0.434426 0.736842
196 A4D 0.434343 0.728395
197 6RE 0.433962 0.681818
198 NVA LMS 0.433333 0.755319
199 3DH 0.432692 0.710843
200 ITT 0.432432 0.792683
201 7D4 0.432432 0.785714
202 A2P 0.431193 0.825
203 LEU LMS 0.429752 0.736842
204 NJP 0.42963 0.821429
205 5X8 0.428571 0.743902
206 SFG 0.428571 0.753086
207 NDC 0.428571 0.890244
208 HYC 0.426667 0.770115
209 0WD 0.426471 0.802326
210 V3L 0.426087 0.8625
211 3AT 0.426087 0.817073
212 J7C 0.425926 0.689655
213 NPW 0.425373 0.795455
214 7C5 0.425197 0.752941
215 AAT 0.422414 0.752941
216 GJV 0.422018 0.693182
217 EP4 0.421569 0.674419
218 4YB 0.418605 0.782609
219 NA7 0.418033 0.853659
220 M2T 0.417476 0.678161
221 NAJ PZO 0.417266 0.781609
222 WSA 0.416667 0.769231
223 DSH 0.416667 0.75
224 A G 0.416058 0.790698
225 G A A A 0.416058 0.781609
226 9JJ 0.415094 0.775281
227 U A G G 0.413043 0.790698
228 ARU 0.409836 0.733333
229 COS 0.409722 0.844444
230 FB0 0.409396 0.784946
231 CAJ 0.409396 0.804348
232 S4M 0.409091 0.692308
233 A5D 0.408696 0.7875
234 0T1 0.408451 0.802198
235 A A A 0.406504 0.851852
236 4TA 0.405797 0.786517
237 2AM 0.40566 0.792683
238 NAJ PYZ 0.405594 0.747253
239 SAH 0.405172 0.768293
240 HFD 0.405172 0.8
241 NDP 0.404412 0.802326
242 ACO 0.40411 0.815217
243 DAT 0.403509 0.807229
244 SMM 0.403361 0.711111
245 8Q2 0.402985 0.736842
246 CO6 0.402685 0.824176
247 HXC 0.402597 0.806452
248 DTP 0.401709 0.807229
249 TXP 0.40146 0.823529
250 BS5 0.40146 0.776596
251 IMO 0.4 0.802469
252 CAO 0.4 0.815217
253 AMX 0.4 0.811111
254 SCD 0.4 0.822222
255 A3N 0.4 0.682353
256 2MC 0.4 0.789474
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2E5A; Ligand: LAQ; Similar sites found with APoc: 275
This union binding pocket(no: 1) in the query (biounit: 2e5a.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 2WGV CIT None
2 4RYV ZEA None
3 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
4 1GYY FHC None
5 5CLO NS8 None
6 4MOB ADP 0.903614
7 4YVN EBS 1.15274
8 3B2Q AES 1.15274
9 5X80 SAL 1.25
10 2Y7P SAL 1.37615
11 5MRH Q9Z 1.44092
12 2PNC CLU 1.44092
13 3B6R ADP 1.44092
14 3LJU IP9 1.44092
15 5Y77 KYN 1.44092
16 1M1B SPV 1.69492
17 5OCM 9RH 1.71821
18 3BP1 GUN 1.72414
19 6AC9 ANP 1.72911
20 6AYU MLI 1.72911
21 5AWM ANP 1.72911
22 3JQ3 ADP 1.72911
23 3KYF 5GP 5GP 1.7316
24 2JGV ADP 1.81818
25 4D4U FUC GAL NAG 1.90476
26 2DVZ GLU 1.91083
27 3B50 SLB 1.93548
28 4LEB THR THR THR THR THR THR THR 2
29 1RYD GLC 2.01729
30 1F9V ADP 2.01729
31 3O7U O7U 2.01729
32 5C9P FUC 2.01729
33 5E9G GLV 2.01729
34 5CSS G3P 2.21239
35 1Y7P RIP 2.24215
36 1E1O LYS 2.30548
37 1BRW URA 2.30548
38 3QSB 743 2.30548
39 5GJO PLP 2.30548
40 4JR7 GNP 2.30548
41 4O48 ASP 2.40964
42 1NE7 AGP 2.42215
43 2WW4 ADP 2.4735
44 1X8X TYR 2.48447
45 6EGU 43Y 2.59366
46 5W75 SUC 2.59366
47 3TEG DAH 2.59366
48 6F5W KG1 2.59366
49 5CKW ANP 2.59366
50 5XLS URA 2.59366
51 1ZDQ MSM 2.67857
52 3THR C2F 2.73038
53 4P86 5GP 2.73224
54 2P3V SRT 2.73438
55 5O0X FAD 2.74914
56 4ZTD ALA GLY ALA GLY ALA 2.7668
57 3ZJX BOG 2.76817
58 3OZG SSI 2.8
59 5DQY BEZ 2.85714
60 5G48 1FL 2.88184
61 5DMZ ADP 2.88184
62 2R0D 4IP 2.88184
63 2R09 4IP 2.88184
64 3PUR 2HG 2.88184
65 5KJW 53C 2.88184
66 3Q3H UDP 2.88184
67 5OES ADP 2.88184
68 5TV6 PML 2.91667
69 5NC1 NAG 2.95359
70 4XTX 590 2.96296
71 2PFY PCA 2.99003
72 5H2U 1N1 2.99625
73 4MG8 27J 3.13725
74 2Z3U CRR 3.17003
75 1B7Y FYA 3.17003
76 5CZY SAM 3.17003
77 4CJN QNZ 3.17003
78 4RD0 GDP 3.17003
79 5OCG 9R5 3.1746
80 1WLJ U5P 3.1746
81 5F6U 5VK 3.18471
82 3A5Y KAA 3.18841
83 4BTV RB3 3.19767
84 4CS4 AXZ 3.28467
85 4CS4 ANP 3.28467
86 4YMJ 4EJ 3.28947
87 1BC5 ACE ASN TRP GLU THR PHE 3.34572
88 3G1Z AMP 3.37423
89 2GQS C2R 3.37553
90 5VKM GAL SIA 3.39506
91 4RF7 ARG 3.45821
92 3KL3 GCU 3.45821
93 1LSH PLD 3.45821
94 3A16 PXO 3.45821
95 2G50 PYR 3.45821
96 4B2D SER 3.45821
97 3BY9 SIN 3.46154
98 6FA4 D1W 3.46821
99 2UVO NAG 3.50877
100 2UVO NDG 3.50877
101 3GD8 GOL 3.58744
102 5ACM MBT 3.6036
103 4IEN GDP 3.68098
104 3JU6 ANP 3.7464
105 3QO8 SSA 3.7464
106 2OJW ADP 3.7464
107 4GCZ FMN 3.7464
108 2P7Q GG6 3.7594
109 1XJD STU 3.76812
110 3TW1 AHN 3.79747
111 5YW5 ADE 3.91061
112 6DW2 HD4 3.92157
113 4C2W ANP 3.94265
114 4HIA FMN 3.97727
115 2RDE C2E 3.98406
116 4G7A AZM 4.03226
117 1KKR 2AS 4.03458
118 4F9C 0SX 4.03458
119 3CBC DBS 4.0404
120 3TTZ 07N 4.0404
121 1HXD BTN 4.04984
122 5D9G GLU ASN LEU TYR PHE GLN 4.06504
123 5LHT TIH 4.08163
124 5V3D FCN 4.13793
125 4IAW LIZ 4.25532
126 1GZF NIR 4.2654
127 4FE2 AIR 4.31373
128 5WHT SIA 4.34783
129 5WHT SIA GAL GLC 4.34783
130 1OFZ FUC 4.48718
131 5A89 ADP 4.48718
132 5A89 FMN 4.48718
133 4JEJ 1GP 4.5082
134 4Y24 TD2 4.54545
135 4USF 6UI 4.60526
136 3VSV XYP 4.61095
137 3VSV XYS 4.61095
138 5HWV MBN 4.61538
139 2G30 ALA ALA PHE 4.65116
140 3A5Z KAA 4.71204
141 1J3R 6PG 4.73684
142 4ONA UW1 4.89914
143 1WB4 SXX 4.89914
144 4LO6 SIA GAL 4.89914
145 4DC2 ADE 4.89914
146 4RHS SIA SIA GAL 4.91803
147 2AGC DAO 4.93827
148 5TH5 MET 4.94297
149 3SAO DBH 5
150 3SAO NKN 5
151 6C99 EQY 5.05051
152 5WL1 D3D 5.05051
153 3NV3 GAL NAG MAN 5.07246
154 5Y4R C2E 5.10204
155 2ZL4 ALA ALA ALA ALA 5.10204
156 2VDF OCT 5.13834
157 4YRI 4JH 5.18732
158 5JBE MAL 5.18732
159 3E9I XAH 5.18732
160 5DYO FLU 5.18868
161 1T3D CYS 5.19031
162 3OYW TDG 5.22388
163 1W6P NDG GAL 5.22388
164 4NS0 PIO 5.26316
165 2XGT NSS 5.4755
166 3MF2 AMP 5.49133
167 3E3U NVC 5.58376
168 6CMJ F6J 5.60748
169 4TS1 TYR 5.64263
170 1A5Z FBP 5.64263
171 4KBA 1QM 5.74018
172 1F52 ADP 5.76369
173 1G51 AMP 5.76369
174 1G51 AMO 5.76369
175 4AKB GAL 6.01504
176 2QGI UDP 6.04839
177 1SES AHX 6.05187
178 2P9T 3PG 6.05187
179 4G0P U5P 6.12245
180 4BGB ADP 6.15385
181 4KAX 4IP 6.21118
182 5H9P TD2 6.32911
183 1V2F HCI 6.34006
184 4PAB THG 6.34006
185 4H2V AMP 6.36364
186 1JPA ANP 6.41026
187 6F3G CJN 6.44068
188 4HZO COA 6.60377
189 4WOE ADP 6.62824
190 1WLE SRP 6.62824
191 4RKX 3S9 6.62824
192 1WPY BTN 6.80851
193 5J75 6GQ 6.81818
194 2Z49 AMG 6.91643
195 3NEM AMO 6.91643
196 1QKQ MAN 7.04225
197 1O94 AMP 7.19697
198 3ZDS HQ9 7.20461
199 3ZDS OMD 7.20461
200 3ZDS M8O 7.20461
201 2DXU BT5 7.23404
202 1Z0N BCD 7.29167
203 3EFS BTN 7.29614
204 3QPB URA 7.44681
205 1ZEI CRS 7.54717
206 3BMO AX4 7.63889
207 3BMQ AX5 7.63889
208 4CMI M4V 7.63889
209 4CM9 YGL 7.63889
210 3JQ7 DX2 7.63889
211 3JQB DX6 7.63889
212 5JCJ 6JM 7.63889
213 4CM4 4NR 7.63889
214 3JQ8 DX3 7.63889
215 3JQG AX6 7.63889
216 4DN8 BMA 7.69231
217 2V7O DRN 7.7381
218 1FHX 4IP 7.75194
219 5YJS SAL 7.78098
220 1MFI FHC 7.89474
221 2WBV SIA 7.93651
222 1ULE GLA GAL NAG 8
223 5EJL C2E 8.06452
224 5XQW 8EU 8.06916
225 3T4L ZEA 8.51852
226 2VN9 GVD 8.63787
227 3QRC SCR 8.9172
228 1X54 4AD 8.93372
229 3ESS 18N 9.13043
230 5F7Y GLC GAL NAG GAL FUC A2G 9.16667
231 5F7N NAG GAL FUC FUC A2G 9.16667
232 1VRP ADP 9.2219
233 5LRT ADP 9.2219
234 5T96 79J 9.35672
235 1SWG BTN 9.375
236 1GT4 UNA 9.43396
237 1OPB RET 9.70149
238 4H2X G5A 9.70874
239 3E2M E2M 9.72973
240 3GUZ PAF 10.2273
241 6GNO XDI 10.3704
242 2QPU QPS 10.3746
243 2QPU QPU 10.3746
244 6GH3 M1P 10.3746
245 1DUC DUD 10.4478
246 4JLS 3ZE 10.5263
247 4F8L AES 11.0345
248 1LNX URI 11.1111
249 1V3S ATP 11.2069
250 3ZO7 K6H 11.7021
251 3UKR CKH 11.9048
252 4DQ2 BTX 12.1951
253 2VMG MBG 13.3758
254 4RT1 C2E 13.3929
255 2ZE3 AKG 13.4545
256 4QYN RTL 14.2857
257 4K55 H6P 14.5161
258 1ZY5 ANP 14.5215
259 3H0L ADP 14.8936
260 5N1X 8HH 15.2542
261 5LXT GTP 16.0839
262 3G08 FEE 16.1616
263 1C9K 5GP 17.7778
264 1PTR PRB 18
265 2Y6P CTP 20.5128
266 1ZNY GDP 22.2222
267 2QHV OC9 23.3333
268 2PR5 FMN 25
269 3UVD MB3 26.6129
270 2QHS OCA 29.1139
271 3IWD M2T 29.4118
272 2GTF P1R 33.3333
273 2ART LPA AMP 46.1832
274 3A7R LAQ 46.5875
275 5T8U LPA 49.5677
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