Receptor
PDB id Resolution Class Description Source Keywords
4BG1 1.89 Å EC: 1.14.11.1 THREE DIMENSIONAL STRUCTURE OF HUMAN GAMMA-BUTYROBETAINE HYDROXYLASE IN COMPLEX WITH 1-(3-CARBOXYPROPYL)-1- M ETHYLPYRROLIDIN-1-IUM CHLORIDE HOMO SAPIENS OXIDOREDUCTASE GAMMA-BUTYROBETAINE HYDROXYLASE GAMMA-BBH BUTYROBETAINE 2-OXOGLUTARATE DIOXYGENASE
Ref.: TARGETING CARNITINE BIOSYNTHESIS: DISCOVERY OF NEW INHIBITORS AGAINST GAMMA-BUTYROBETAINE HYDROXYLASE. J.MED.CHEM. V. 57 2213 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IVL A:901;
Valid;
none;
ic50 = 0.49 uM
172.245 C9 H18 N O2 C[N+]...
OGA A:900;
Valid;
none;
submit data
147.086 C4 H5 N O5 C(C(=...
16D A:904;
Invalid;
none;
submit data
116.205 C6 H16 N2 C(CCC...
ZN A:905;
A:902;
A:906;
A:903;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BG1 1.89 Å EC: 1.14.11.1 THREE DIMENSIONAL STRUCTURE OF HUMAN GAMMA-BUTYROBETAINE HYDROXYLASE IN COMPLEX WITH 1-(3-CARBOXYPROPYL)-1- M ETHYLPYRROLIDIN-1-IUM CHLORIDE HOMO SAPIENS OXIDOREDUCTASE GAMMA-BUTYROBETAINE HYDROXYLASE GAMMA-BBH BUTYROBETAINE 2-OXOGLUTARATE DIOXYGENASE
Ref.: TARGETING CARNITINE BIOSYNTHESIS: DISCOVERY OF NEW INHIBITORS AGAINST GAMMA-BUTYROBETAINE HYDROXYLASE. J.MED.CHEM. V. 57 2213 2014
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4BGK ic50 = 0.52 uM RTK C6 H17 N O2 P C[N+](C)(C....
2 4BHF Kd = 4.1 uM MZT C8 H18 N O2 C[C@H](CCC....
3 4CWD - OGA C4 H5 N O5 C(C(=O)O)N....
4 4BG1 ic50 = 0.49 uM IVL C9 H18 N O2 C[N+]1(CCC....
5 4C5W ic50 = 3.3 uM NM3 C8 H18 N O2 CC[N+](C)(....
6 4BGM ic50 = 0.61 uM DLT C8 H17 F N O2 C[N+](C)(C....
7 4BHI Kd = 9.3 uM RUJ C7 H17 N2 O2 CN(CCC(=O)....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4BGK ic50 = 0.52 uM RTK C6 H17 N O2 P C[N+](C)(C....
2 4BHF Kd = 4.1 uM MZT C8 H18 N O2 C[C@H](CCC....
3 4CWD - OGA C4 H5 N O5 C(C(=O)O)N....
4 4BG1 ic50 = 0.49 uM IVL C9 H18 N O2 C[N+]1(CCC....
5 4C5W ic50 = 3.3 uM NM3 C8 H18 N O2 CC[N+](C)(....
6 4BGM ic50 = 0.61 uM DLT C8 H17 F N O2 C[N+](C)(C....
7 4BHI Kd = 9.3 uM RUJ C7 H17 N2 O2 CN(CCC(=O)....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4BGK ic50 = 0.52 uM RTK C6 H17 N O2 P C[N+](C)(C....
2 4BHF Kd = 4.1 uM MZT C8 H18 N O2 C[C@H](CCC....
3 4CWD - OGA C4 H5 N O5 C(C(=O)O)N....
4 4BG1 ic50 = 0.49 uM IVL C9 H18 N O2 C[N+]1(CCC....
5 4C5W ic50 = 3.3 uM NM3 C8 H18 N O2 CC[N+](C)(....
6 4BGM ic50 = 0.61 uM DLT C8 H17 F N O2 C[N+](C)(C....
7 4BHI Kd = 9.3 uM RUJ C7 H17 N2 O2 CN(CCC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IVL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 IVL 1 1
Ligand no: 2; Ligand: OGA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OGA 1 1
2 AAC 0.461538 0.827586
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BG1; Ligand: IVL; Similar sites found: 340
This union binding pocket(no: 1) in the query (biounit: 4bg1.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.008991 0.45421 None
2 1LNX URI 0.001887 0.43514 None
3 4F4S EFO 0.006783 0.41184 None
4 1JIL 485 0.0002155 0.42071 1.03359
5 4FWE FAD 0.003732 0.41206 1.03359
6 2XVE FAD 0.005255 0.41936 1.29199
7 1PEA ACM 0.01095 0.4256 1.2987
8 1Q0H NDP 0.0008839 0.43854 1.55039
9 1Q0H FOM 0.001011 0.43451 1.55039
10 2NVK FAD 0.002982 0.41361 1.55039
11 2QF7 AGS 0.001033 0.41188 1.55039
12 2C31 TZD 0.0118 0.41146 1.55039
13 2C31 ADP 0.01141 0.41146 1.55039
14 1MDZ DCS 0.001917 0.41132 1.55039
15 4J7H TLO 0.002114 0.40035 1.55039
16 2XK9 XK9 0.0001222 0.45404 1.5528
17 4NM5 ADP 0.001217 0.40264 1.59151
18 3MAG 3MA 0.02516 0.42132 1.62866
19 1C3V NDP 0.003392 0.40021 1.63265
20 1KYZ SAH 0.0003503 0.41075 1.64384
21 1O9U ADZ 0.01204 0.43056 1.71429
22 3I0O SMI 0.002529 0.43569 1.76991
23 2Y7G AAE 0.000384 0.43508 1.77305
24 1YBH FAD 0.009278 0.42133 1.80879
25 2NCD ADP 0.006053 0.41925 1.80879
26 4AT0 FAD 0.006874 0.40598 1.80879
27 3NYQ AMP 0.003708 0.40141 1.80879
28 1MVN PCO 0.008079 0.40918 1.91388
29 2Q2V NAD 0.002916 0.40246 1.96078
30 3HQR OGA 0.001941 0.44525 2.03252
31 2ZWS PLM 0.0007514 0.51388 2.06718
32 2XDQ MGX 0.0033 0.45899 2.06718
33 3PUA OGA 0.00685 0.4326 2.06718
34 3PUR 2HG 0.01156 0.42383 2.06718
35 3KV4 OGA 0.02229 0.40876 2.06718
36 2C7G FAD 0.009317 0.4065 2.06718
37 2C7G ODP 0.01081 0.40337 2.06718
38 1RYI FAD 0.006514 0.40333 2.09424
39 1RYI GOA 0.006843 0.40256 2.09424
40 1P72 ADP 0.003101 0.40154 2.09581
41 4E28 9MZ 0.002055 0.44608 2.15385
42 4E28 0MZ 0.00287 0.43331 2.15385
43 3JQ3 ADP 0.0009502 0.43595 2.18579
44 4CS4 AXZ 0.002503 0.41832 2.18978
45 4CS4 ANP 0.001995 0.41553 2.18978
46 2YC5 6BC 0.002773 0.4082 2.19298
47 2Q37 3AL 0.003455 0.42981 2.20994
48 2QDT I38 0.0001347 0.41378 2.23048
49 3FXU TSU 0.001164 0.40684 2.29508
50 4JZR 4JR 0.02107 0.40351 2.31481
51 4Q0A 4OA 0.001542 0.40501 2.31788
52 4M5P 23W 0.006443 0.43679 2.32558
53 4M5P MLA 0.0142 0.43454 2.32558
54 3KV5 OGA 0.008469 0.43382 2.32558
55 2XCG XCG 0.003063 0.40039 2.32558
56 2RDQ AKG 0.003002 0.41273 2.43056
57 3H7J PPY 0.001789 0.44225 2.46914
58 4JWX 1N4 0.006862 0.41163 2.5
59 2F2U M77 0.0008058 0.43877 2.58398
60 2AQJ FAD 0.002008 0.43371 2.58398
61 2AQJ TRP 0.001917 0.43371 2.58398
62 2Z9V PXM 0.002537 0.42976 2.58398
63 2Q09 DI6 0.002716 0.42309 2.58398
64 3F3E LEU 0.001734 0.41767 2.58398
65 1UXG NAD 0.000401 0.44126 2.589
66 1UXG FUM 0.000401 0.44126 2.589
67 1G8S MET 0.007936 0.4197 2.6087
68 3DGB MUC 0.001772 0.42033 2.6178
69 2DTX BMA 0.0009869 0.42859 2.65152
70 2V7T SAH 0.02167 0.40761 2.67559
71 3OPT AKG 0.02036 0.41075 2.68097
72 3QP4 HL0 0.000337 0.40199 2.74725
73 3QDY A2G GAL 0.0005705 0.48778 2.7972
74 3QDY CBS 0.003774 0.44082 2.7972
75 3QDT A2G GAL 0.02648 0.40688 2.7972
76 1GEX PLP HSA 0.001795 0.40227 2.80899
77 2ZB3 NDP 0.001289 0.41172 2.83286
78 2Q8C AKG 0.01041 0.42721 2.84091
79 2JFV FLC 0.001996 0.44664 2.84238
80 4GQB 0XU 0.001586 0.43277 2.84238
81 2AMV BIN 0.003675 0.41763 2.84238
82 1ZK7 FAD 0.003381 0.41547 2.84238
83 2IXB A2G 0.003617 0.40751 2.84238
84 2C5S AMP 0.007035 0.4063 2.84238
85 2IXB NAD 0.002599 0.40417 2.84238
86 4K5S PM0 0.009389 0.40183 2.84238
87 1TDF FAD 0.005286 0.4093 2.8481
88 1TDF NAP 0.01332 0.40885 2.8481
89 4L6C 0BT 0.0006613 0.40395 2.9703
90 2QCX PF1 0.00249 0.43598 3.04183
91 1EB9 HBA 0.0006954 0.43582 3.05344
92 3D2Y AH0 ALA FGA LYS 0.001466 0.40576 3.06513
93 1XX4 BAM 0.0147 0.40005 3.06513
94 2ZJ5 ADP 0.0004127 0.4698 3.10078
95 4C6F NCD 0.002074 0.42262 3.10078
96 4C6F DOR 0.002074 0.42262 3.10078
97 1H0C AOA 0.01191 0.41751 3.10078
98 2C2A ADP 0.001327 0.41136 3.10078
99 1H82 FAD 0.008041 0.40962 3.10078
100 1H82 GZZ 0.009122 0.40962 3.10078
101 3P7I P7I 0.0009569 0.4475 3.11526
102 1SB8 NAD 0.004859 0.41149 3.125
103 1SB8 UD2 0.00751 0.40777 3.125
104 3LTW HLZ 0.00302 0.43857 3.21429
105 2ALG HP6 0.0005115 0.4129 3.26087
106 2ALG DAO 0.0005115 0.4129 3.26087
107 1D09 PAL 0.008486 0.43009 3.26797
108 1GR0 NAD 0.01943 0.40357 3.26975
109 2BJK NAD 0.0009535 0.44138 3.35917
110 1LVL FAD 0.001329 0.42822 3.35917
111 4L7I SAM 0.000488 0.42656 3.35917
112 3MPI GRA 0.004784 0.41581 3.35917
113 4EPM AMP 0.0006691 0.41297 3.35917
114 4KCT PYR 0.007093 0.40616 3.35917
115 3UEC ALA ARG TPO LYS 0.009942 0.42119 3.42466
116 4P7X AKG 0.001513 0.41311 3.42466
117 2WQP WQP 0.001663 0.40496 3.4384
118 1XE7 GUN 0.002448 0.46553 3.44828
119 4QM9 CYS 0.01803 0.41468 3.46821
120 4NTD FAD 0.002448 0.41351 3.52941
121 1ZS6 ADP 0.00315 0.42048 3.5503
122 2Q8H TF4 0.007437 0.44115 3.61757
123 3O2K DST 0.001778 0.43623 3.61757
124 3LPF Z77 0.000626 0.41914 3.61757
125 3A1I UNU 0.00402 0.41132 3.61757
126 2RDT 2RD 0.01576 0.40371 3.61757
127 3O2K QRP 0.006603 0.40283 3.61757
128 2GSD NAD 0.003984 0.40271 3.61757
129 1UF5 CDT 0.002307 0.42081 3.63036
130 4COQ SAN 0.001633 0.45056 3.64372
131 2HJR CIT 0.02085 0.40375 3.65854
132 1XHL NDP 0.0005483 0.4287 3.7037
133 1NZY BCA 0.0008081 0.41703 3.71747
134 4M26 AKG 0.000003774 0.60529 3.84615
135 4M26 ZZU 0.000002986 0.50257 3.84615
136 2AE2 NAP 0.0001751 0.45643 3.84615
137 2AE2 PTO 0.0001751 0.45643 3.84615
138 4C12 ADP 0.002266 0.42704 3.87597
139 2RHW C0E 0.0009896 0.44679 3.88693
140 4KCF AKM 0.000855 0.40948 3.96476
141 1UJ2 C5P 0.0007793 0.41431 3.96825
142 2EJU SAH 0.001408 0.40636 3.96825
143 1Q11 TYE 0.004681 0.41861 4.03226
144 3BW2 FMN 0.001718 0.40893 4.06504
145 1X54 4AD 0.001719 0.40125 4.13437
146 3KMZ EQO 0.001446 0.40699 4.13534
147 3TFC PEP 0.00325 0.42525 4.15584
148 2OG7 SIN 0.0000001941 0.45653 4.20168
149 1IYE PGU 0.003345 0.40042 4.20712
150 3TXO 07U 0.000293 0.40084 4.24929
151 3ZLM ANP 0.0005472 0.40414 4.25532
152 1R37 NAD 0.001503 0.41624 4.32277
153 4K30 NLG 0.01142 0.40233 4.375
154 3QV9 QV7 0.004589 0.42447 4.39277
155 3I8P 840 0.0008586 0.42251 4.39277
156 1WDA BAG 0.003065 0.42096 4.39277
157 4IVG ANP 0.00432 0.41505 4.39277
158 4WVH ASP HIS ASP ALA HIS ALA 0.005993 0.40914 4.39277
159 1I2B UPG 0.01054 0.40378 4.39277
160 1I2B NAD 0.01054 0.40378 4.39277
161 1I2B USQ 0.01054 0.40378 4.39277
162 4MP8 MLI 0.001859 0.4166 4.42478
163 4MP8 NAD 0.001859 0.4166 4.42478
164 1RZM E4P 0.002681 0.44775 4.43787
165 3LZW NAP 0.004829 0.41865 4.51807
166 3LZW FAD 0.003887 0.40641 4.51807
167 3RO7 TDR 0.002526 0.40039 4.5283
168 1V35 NAI 0.0008384 0.43332 4.55927
169 1M5B BN1 0.01173 0.40345 4.56274
170 1G0N PHH 0.006885 0.4006 4.59364
171 1EP2 FMN 0.0002013 0.43732 4.5977
172 1EP2 ORO 0.0007759 0.4262 4.5977
173 4KXV TDP DX5 0.002783 0.41154 4.65116
174 4GYW UDP 0.001764 0.41126 4.65116
175 1KBI FMN 0.001388 0.40759 4.65116
176 1KBI PYR 0.001388 0.40759 4.65116
177 4B9E FAH 0.0196 0.40737 4.65116
178 1KBJ FMN 0.001537 0.40451 4.65116
179 1F3L SAH 0.0002255 0.41914 4.6729
180 1WGC SIA GAL BGC 0.003285 0.46816 4.67836
181 1Y9Q MED 0.000722 0.46646 4.6875
182 1BTN I3P 0.0005852 0.53017 4.71698
183 4G1V FAD 0.005817 0.43276 4.7619
184 3FC2 IBI 0.0005868 0.42479 4.77612
185 2Q1A 2KT 0.01293 0.41015 4.77816
186 3CF6 SP1 0.002223 0.40764 4.79042
187 2FR6 CTN 0.0003176 0.42837 4.79452
188 1VDC FAD 0.006864 0.40601 4.8048
189 2Y0I AKG 0.01029 0.42464 4.82955
190 2WA4 069 0.000346 0.48087 4.87106
191 2XUM OGA 0.003196 0.44819 4.87106
192 3P3N AKG 0.004991 0.43808 4.87106
193 4B7E OGA 0.01157 0.4217 4.87106
194 4DQ2 BTX 0.002821 0.40022 4.87805
195 2HGZ PBF 0.0008443 0.41144 4.90196
196 3DER ALA LYS 0.0005355 0.41225 4.92754
197 2ZJF BSU 0.004843 0.40814 4.97238
198 2P1O IHP 0.002386 0.40408 5
199 2P1O NLA 0.002386 0.40408 5
200 3KMT SAH 0.0002061 0.45022 5.04202
201 3QRC SCR 0.006216 0.41777 5.09554
202 2Y6P CTP 0.001601 0.42705 5.12821
203 1Q3Q ANP 0.001076 0.44232 5.16796
204 2V6O FAD 0.005418 0.42514 5.16796
205 3RF4 FUN 0.004703 0.41852 5.17241
206 4J25 OGA 0.0006672 0.48708 5.24017
207 4IAE 1DX 0.007275 0.40631 5.29101
208 3IL6 B83 0.0008506 0.40224 5.29595
209 2J7T 274 0.000576 0.42355 5.29801
210 3NGU ADP 0.003778 0.40345 5.29801
211 2E1A MSE 0.006685 0.40721 5.33333
212 4CCO OGA 0.002498 0.45545 5.42636
213 1KOL NAD 0.003471 0.40594 5.42636
214 1FIQ FAD 0.000518 0.43229 5.42857
215 3DG6 MUC 0.000399 0.4396 5.44959
216 4F8L GAL 0.02086 0.43386 5.51724
217 2QLX RM4 0.001088 0.46598 5.55556
218 2NX1 PEP 0.0005621 0.42233 5.61798
219 2NX1 RP5 0.001489 0.40811 5.61798
220 4R33 TRP 0.0009464 0.4219 5.68475
221 4R33 SAH 0.0009464 0.4219 5.68475
222 4KOA NDP 0.0009703 0.41612 5.70571
223 1NHZ 486 0.0002281 0.42629 5.71429
224 1HDR NAD 0.001416 0.43198 5.7377
225 2GJ3 FAD 0.00194 0.40783 5.83333
226 1SQ5 PAU 0.002655 0.42894 5.84416
227 3M0J OAF 0.003207 0.40104 5.86319
228 3MD0 GDP 0.003943 0.41652 5.91549
229 3L0E G58 0.001013 0.41216 5.92885
230 1R27 MGD 0.0008338 0.42764 5.94315
231 3FC4 EDO 0.004419 0.41709 5.94315
232 4AQL TXC 0.0001983 0.41359 5.94315
233 4GJY OGA 0.0007054 0.48484 5.95745
234 3GE7 AFQ 0.0006978 0.42647 5.95855
235 1POC GEL 0.0001409 0.42002 5.97015
236 3OIG IMJ 0.002313 0.4085 6.01504
237 2PR5 FMN 0.0003365 0.42752 6.06061
238 2VBQ BSJ 0.00342 0.40384 6.06061
239 4M51 BEZ 0.0007537 0.48192 6.20155
240 1Y42 TYR 0.001232 0.4429 6.20155
241 2TPL HPP 0.000176 0.43575 6.20155
242 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.0008246 0.43248 6.20155
243 2ZX7 ZX7 0.00271 0.40288 6.20155
244 1Z44 NPO 0.01425 0.44309 6.21302
245 1Z41 FMN 0.003185 0.40202 6.21302
246 3BHO B4P 0.03954 0.41081 6.25
247 4OCT AKG 0.001481 0.45592 6.30631
248 1QY1 PRZ 0.0002293 0.42414 6.32184
249 3BY8 MLT 0.01147 0.41828 6.33803
250 1JQI FAD 0.004168 0.40316 6.45995
251 1KDK DHT 0.0001178 0.43562 6.77966
252 1R6D DAU 0.001294 0.43605 6.82493
253 1R6D NAD 0.002624 0.4255 6.82493
254 2Y7P SAL 0.007437 0.41016 6.88073
255 1YOA FMN 0.01253 0.4462 6.91824
256 1SAY PYR 0.03845 0.40646 6.92521
257 2YGN PCF 0.002227 0.40369 7.05128
258 1LCP PLU 0.001388 0.40598 7.23514
259 3K37 BCZ 0.0191 0.40492 7.23514
260 3LJU IP9 0.01651 0.41373 7.25389
261 3KJQ B94 0.001607 0.42195 7.31707
262 1FW1 GSH 0.0004878 0.43637 7.40741
263 4ARF IP8 GLY PRO ALA 0.00003701 0.4309 7.49354
264 1WNG SAH 0.0003802 0.41321 7.54717
265 4BMO FMN 0.001078 0.40962 7.56302
266 1ZK4 AC0 0.008175 0.42041 7.56972
267 1ZK4 NAP 0.008175 0.42041 7.56972
268 4CKU P2F 0.00808 0.40341 7.59878
269 3OZG SSI 0.0002146 0.41081 7.6
270 2R40 EPH 0.0003057 0.43519 7.60456
271 1MZV AMP 0.007068 0.40167 7.65957
272 3I28 34N 0.0008874 0.43753 7.75194
273 1QZZ SAM 0.001807 0.41532 7.75401
274 1SS4 CIT 0.0001866 0.57105 7.84314
275 1SS4 GSH 0.006206 0.4635 7.84314
276 4IXW IXW 0.004397 0.4146 7.87402
277 4TMK T5A 0.006192 0.43689 7.98122
278 3O55 FAD 0.001401 0.40585 8
279 2IYG FMN 0.0001873 0.45754 8.06452
280 1QO0 BMD 0.01142 0.41258 8.16327
281 1YRX FMN 0.0012 0.4219 8.26446
282 2P8B NSK 0.03863 0.40317 8.40108
283 1OAA OAA 0.0001245 0.46525 8.49421
284 3GWT 066 0.000575 0.42656 8.49858
285 3WO0 ALA 0.002847 0.40896 8.78553
286 3WO0 ADP 0.002847 0.40896 8.78553
287 3ZPG 5GP 0.006052 0.44568 8.90052
288 4HA6 FAD 0.005165 0.40697 9.04393
289 1T0S BML 0.000513 0.49001 9.30233
290 2OFE NAG 0.007615 0.42051 9.85915
291 4OJ8 AKG 0.000001245 0.56009 9.89761
292 4OJ8 2TQ 0.000003312 0.52667 9.89761
293 4O8A FAD 0.0005016 0.42859 10.0775
294 1TIW FAD 0.005743 0.40041 10.0775
295 1TIW TFB 0.005743 0.40041 10.0775
296 1Y75 NAG 0.005693 0.41004 10.1695
297 1Y52 BTN 0.004877 0.40596 10.3175
298 4RJK PYR 0.001324 0.47007 10.3359
299 2BLE 5GP 0.004913 0.41908 10.3542
300 3PVT 3HC 0.000186 0.45176 10.4247
301 2ET1 GLV 0.0006258 0.4898 10.4478
302 1WUR 8DG 0.0006494 0.41151 10.4545
303 4LHM AZZ 0.01119 0.40764 10.5943
304 1NX4 AKG 0.00003227 0.43286 10.6227
305 2ORV 4TA 0.0004125 0.40156 10.6838
306 1DRY AAG 0.000001354 0.5643 10.8025
307 1QDS PGA 0.00592 0.4047 11.1554
308 3IIS PID 0.008543 0.41573 11.2583
309 1ULE GLA GAL NAG 0.03154 0.40315 11.3333
310 1KTC NGA 0.008202 0.40838 11.3695
311 3WD1 ST7 0.00733 0.40148 11.3695
312 1EYE PMM 0.001131 0.42777 11.6279
313 3S9K CIT 0.008388 0.45314 11.8644
314 4CMF PXG 0.004734 0.41359 12.1118
315 1X1T NAD 0.006153 0.42182 12.6923
316 2EB5 OXL 0.005301 0.42759 12.7341
317 1N9L FMN 0.0005011 0.42163 12.844
318 4OB6 S2T 0.003205 0.40192 13.1965
319 3ICC NAP 0.002165 0.40821 13.7255
320 1ECM TSA 0.0005344 0.45173 13.7615
321 3NFZ 3NF 0.001651 0.4215 13.7615
322 1C1L GAL BGC 0.002173 0.45199 13.8686
323 1OS7 TAU 0.000003312 0.54202 14.1343
324 1OS7 AKG 0.01449 0.41352 14.1343
325 1TUV VK3 0.01015 0.43431 14.9123
326 3UXL CFI 0.003356 0.43983 15.4047
327 4CCN OGA 0.0005861 0.49162 17.1429
328 3R35 4CO 0.003231 0.40093 17.8808
329 2FCU AKG 0.0001621 0.4012 17.8914
330 3AVR OGA 0.001312 0.47427 18.1818
331 3F81 STT 0.021 0.41181 18.5792
332 1F1V DHY 0.0004171 0.45609 19.5046
333 1ZJ6 G3D 0.003301 0.41002 19.7861
334 2V5E SCR 0.01067 0.44111 19.802
335 1OIK AKG 0.00005478 0.54333 20.9302
336 1OIK C26 0.00003175 0.51727 20.9302
337 1H2M OGA 0.004501 0.44049 21.1538
338 1OIJ AKG 0.000009295 0.42001 21.2625
339 2E2R 2OH 0.001635 0.41497 24.1803
340 1H2K OGA 0.006947 0.42684 26.8293
Pocket No.: 2; Query (leader) PDB : 4BG1; Ligand: OGA; Similar sites found: 309
This union binding pocket(no: 2) in the query (biounit: 4bg1.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.008991 0.45421 None
2 1LNX URI 0.001887 0.43514 None
3 4F4S EFO 0.006783 0.41184 None
4 1JIL 485 0.0002155 0.42071 1.03359
5 4FWE FAD 0.003732 0.41206 1.03359
6 2XVE FAD 0.005255 0.41936 1.29199
7 1PEA ACM 0.01095 0.4256 1.2987
8 1Q0H NDP 0.0008839 0.43854 1.55039
9 1Q0H FOM 0.001011 0.43451 1.55039
10 2NVK FAD 0.002982 0.41361 1.55039
11 2QF7 AGS 0.001033 0.41188 1.55039
12 2C31 ADP 0.01141 0.41146 1.55039
13 2C31 TZD 0.0118 0.41146 1.55039
14 1MDZ DCS 0.001917 0.41132 1.55039
15 4J7H TLO 0.002114 0.40035 1.55039
16 2XK9 XK9 0.0001222 0.45404 1.5528
17 4NM5 ADP 0.001217 0.40264 1.59151
18 3MAG 3MA 0.02516 0.42132 1.62866
19 1C3V NDP 0.003392 0.40021 1.63265
20 1KYZ SAH 0.0003503 0.41075 1.64384
21 1O9U ADZ 0.01204 0.43056 1.71429
22 3I0O SMI 0.002529 0.43569 1.76991
23 2Y7G AAE 0.000384 0.43508 1.77305
24 1YBH FAD 0.009278 0.42133 1.80879
25 2NCD ADP 0.006053 0.41925 1.80879
26 4AT0 FAD 0.006874 0.40598 1.80879
27 3NYQ AMP 0.003708 0.40141 1.80879
28 1MVN PCO 0.008079 0.40918 1.91388
29 2Q2V NAD 0.002916 0.40246 1.96078
30 2ZWS PLM 0.0007514 0.51388 2.06718
31 2XDQ MGX 0.0033 0.45899 2.06718
32 2C7G FAD 0.009317 0.4065 2.06718
33 2C7G ODP 0.01081 0.40337 2.06718
34 1RYI FAD 0.006514 0.40333 2.09424
35 1RYI GOA 0.006843 0.40256 2.09424
36 1P72 ADP 0.003101 0.40154 2.09581
37 4E28 9MZ 0.002055 0.44608 2.15385
38 4E28 0MZ 0.00287 0.43331 2.15385
39 3JQ3 ADP 0.0009502 0.43595 2.18579
40 4CS4 AXZ 0.002503 0.41832 2.18978
41 4CS4 ANP 0.001995 0.41553 2.18978
42 2YC5 6BC 0.002773 0.4082 2.19298
43 2Q37 3AL 0.003455 0.42981 2.20994
44 2QDT I38 0.0001347 0.41378 2.23048
45 3FXU TSU 0.001164 0.40684 2.29508
46 4Q0A 4OA 0.001542 0.40501 2.31788
47 4M5P 23W 0.006443 0.43679 2.32558
48 4M5P MLA 0.0142 0.43454 2.32558
49 2XCG XCG 0.003063 0.40039 2.32558
50 4JWX 1N4 0.006862 0.41163 2.5
51 2F2U M77 0.0008058 0.43877 2.58398
52 2AQJ FAD 0.002008 0.43371 2.58398
53 2AQJ TRP 0.001917 0.43371 2.58398
54 2Z9V PXM 0.002537 0.42976 2.58398
55 2Q09 DI6 0.002716 0.42309 2.58398
56 3F3E LEU 0.001734 0.41767 2.58398
57 1UXG NAD 0.000401 0.44126 2.589
58 1UXG FUM 0.000401 0.44126 2.589
59 1G8S MET 0.007936 0.4197 2.6087
60 3DGB MUC 0.001772 0.42033 2.6178
61 2DTX BMA 0.0009869 0.42859 2.65152
62 2V7T SAH 0.02167 0.40761 2.67559
63 3QP4 HL0 0.000337 0.40199 2.74725
64 3QDY A2G GAL 0.0005705 0.48778 2.7972
65 3QDY CBS 0.003774 0.44082 2.7972
66 3QDT A2G GAL 0.02648 0.40688 2.7972
67 1GEX PLP HSA 0.001795 0.40227 2.80899
68 2ZB3 NDP 0.001289 0.41172 2.83286
69 2JFV FLC 0.001996 0.44664 2.84238
70 4GQB 0XU 0.001586 0.43277 2.84238
71 2PP3 LGT 0.001088 0.42348 2.84238
72 2AMV BIN 0.003675 0.41763 2.84238
73 1ZK7 FAD 0.003381 0.41547 2.84238
74 2IXB A2G 0.003617 0.40751 2.84238
75 2C5S AMP 0.007035 0.4063 2.84238
76 2IXB NAD 0.002599 0.40417 2.84238
77 4K5S PM0 0.009389 0.40183 2.84238
78 1TDF FAD 0.005286 0.4093 2.8481
79 1TDF NAP 0.01332 0.40885 2.8481
80 4L6C 0BT 0.0006613 0.40395 2.9703
81 2QCX PF1 0.00249 0.43598 3.04183
82 1EB9 HBA 0.0006954 0.43582 3.05344
83 3D2Y AH0 ALA FGA LYS 0.001466 0.40576 3.06513
84 1XX4 BAM 0.0147 0.40005 3.06513
85 2ZJ5 ADP 0.0004127 0.4698 3.10078
86 4C6F NCD 0.002074 0.42262 3.10078
87 4C6F DOR 0.002074 0.42262 3.10078
88 1H0C AOA 0.01191 0.41751 3.10078
89 2C2A ADP 0.001327 0.41136 3.10078
90 1H82 FAD 0.008041 0.40962 3.10078
91 1H82 GZZ 0.009122 0.40962 3.10078
92 3P7I P7I 0.0009569 0.4475 3.11526
93 1SB8 NAD 0.004859 0.41149 3.125
94 1SB8 UD2 0.00751 0.40777 3.125
95 3LTW HLZ 0.00302 0.43857 3.21429
96 2ALG HP6 0.0005115 0.4129 3.26087
97 2ALG DAO 0.0005115 0.4129 3.26087
98 1D09 PAL 0.008486 0.43009 3.26797
99 1GR0 NAD 0.01943 0.40357 3.26975
100 2BJK NAD 0.0009535 0.44138 3.35917
101 1LVL FAD 0.001329 0.42822 3.35917
102 4L7I SAM 0.000488 0.42656 3.35917
103 3MPI GRA 0.004784 0.41581 3.35917
104 4EPM AMP 0.0006691 0.41297 3.35917
105 4KCT PYR 0.007093 0.40616 3.35917
106 3UEC ALA ARG TPO LYS 0.009942 0.42119 3.42466
107 2WQP WQP 0.001663 0.40496 3.4384
108 1XE7 GUN 0.002448 0.46553 3.44828
109 4NTD FAD 0.002448 0.41351 3.52941
110 1ZZ7 S0H 0.002291 0.43162 3.53535
111 1ZS6 ADP 0.00315 0.42048 3.5503
112 2Q8H TF4 0.007437 0.44115 3.61757
113 3O2K DST 0.001778 0.43623 3.61757
114 3LPF Z77 0.000626 0.41914 3.61757
115 3A1I UNU 0.00402 0.41132 3.61757
116 2RDT 2RD 0.01576 0.40371 3.61757
117 3O2K QRP 0.006603 0.40283 3.61757
118 2GSD NAD 0.003984 0.40271 3.61757
119 1UF5 CDT 0.002307 0.42081 3.63036
120 4COQ SAN 0.001633 0.45056 3.64372
121 1XHL NDP 0.0005483 0.4287 3.7037
122 1NZY BCA 0.0008081 0.41703 3.71747
123 2AE2 NAP 0.0001751 0.45643 3.84615
124 2AE2 PTO 0.0001751 0.45643 3.84615
125 4C12 ADP 0.002266 0.42704 3.87597
126 2RHW C0E 0.0009896 0.44679 3.88693
127 4KCF AKM 0.000855 0.40948 3.96476
128 1UJ2 C5P 0.0007793 0.41431 3.96825
129 2EJU SAH 0.001408 0.40636 3.96825
130 1Q11 TYE 0.004681 0.41861 4.03226
131 3BW2 FMN 0.001718 0.40893 4.06504
132 1X54 4AD 0.001719 0.40125 4.13437
133 3KMZ EQO 0.001446 0.40699 4.13534
134 3TFC PEP 0.00325 0.42525 4.15584
135 1IYE PGU 0.003345 0.40042 4.20712
136 3TXO 07U 0.000293 0.40084 4.24929
137 3ZLM ANP 0.0005472 0.40414 4.25532
138 1R37 NAD 0.001503 0.41624 4.32277
139 4K30 NLG 0.01142 0.40233 4.375
140 3QV9 QV7 0.004589 0.42447 4.39277
141 3I8P 840 0.0008586 0.42251 4.39277
142 1WDA BAG 0.003065 0.42096 4.39277
143 4IVG ANP 0.00432 0.41505 4.39277
144 4WVH ASP HIS ASP ALA HIS ALA 0.005993 0.40914 4.39277
145 1I2B NAD 0.01054 0.40378 4.39277
146 1I2B USQ 0.01054 0.40378 4.39277
147 1I2B UPG 0.01054 0.40378 4.39277
148 4MP8 MLI 0.001859 0.4166 4.42478
149 4MP8 NAD 0.001859 0.4166 4.42478
150 1RZM E4P 0.002681 0.44775 4.43787
151 3LZW NAP 0.004829 0.41865 4.51807
152 3LZW FAD 0.003887 0.40641 4.51807
153 3RO7 TDR 0.002526 0.40039 4.5283
154 1V35 NAI 0.0008384 0.43332 4.55927
155 1M5B BN1 0.01173 0.40345 4.56274
156 1G0N PHH 0.006885 0.4006 4.59364
157 1EP2 FMN 0.0002013 0.43732 4.5977
158 1EP2 ORO 0.0007759 0.4262 4.5977
159 4KXV TDP DX5 0.002783 0.41154 4.65116
160 4GYW UDP 0.001764 0.41126 4.65116
161 1KBI PYR 0.001388 0.40759 4.65116
162 1KBI FMN 0.001388 0.40759 4.65116
163 4B9E FAH 0.0196 0.40737 4.65116
164 1KBJ FMN 0.001537 0.40451 4.65116
165 1F3L SAH 0.0002255 0.41914 4.6729
166 1WGC SIA GAL BGC 0.003285 0.46816 4.67836
167 1Y9Q MED 0.000722 0.46646 4.6875
168 1BTN I3P 0.0005852 0.53017 4.71698
169 4G1V FAD 0.005817 0.43276 4.7619
170 3FC2 IBI 0.0005868 0.42479 4.77612
171 2Q1A 2KT 0.01293 0.41015 4.77816
172 3CF6 SP1 0.002223 0.40764 4.79042
173 2FR6 CTN 0.0003176 0.42837 4.79452
174 1VDC FAD 0.006864 0.40601 4.8048
175 3P3N AKG 0.00001679 0.53973 4.87106
176 2WA4 069 0.000002033 0.53239 4.87106
177 4DQ2 BTX 0.002821 0.40022 4.87805
178 2HGZ PBF 0.0008443 0.41144 4.90196
179 3DER ALA LYS 0.0005355 0.41225 4.92754
180 2ZJF BSU 0.004843 0.40814 4.97238
181 2P1O IHP 0.002386 0.40408 5
182 2P1O NLA 0.002386 0.40408 5
183 3KMT SAH 0.0002061 0.45022 5.04202
184 2Y6P CTP 0.001601 0.42705 5.12821
185 1Q3Q ANP 0.001076 0.44232 5.16796
186 2V6O FAD 0.005418 0.42514 5.16796
187 3RF4 FUN 0.004703 0.41852 5.17241
188 4IAE 1DX 0.007275 0.40631 5.29101
189 3IL6 B83 0.0008506 0.40224 5.29595
190 2J7T 274 0.000576 0.42355 5.29801
191 3NGU ADP 0.003778 0.40345 5.29801
192 2E1A MSE 0.006685 0.40721 5.33333
193 4CCO OGA 0.00008058 0.4925 5.42636
194 1KOL NAD 0.003471 0.40594 5.42636
195 1FIQ FAD 0.000518 0.43229 5.42857
196 3DG6 MUC 0.000399 0.4396 5.44959
197 4F8L GAL 0.02086 0.43386 5.51724
198 2QLX RM4 0.001088 0.46598 5.55556
199 2NX1 PEP 0.0005621 0.42233 5.61798
200 2NX1 RP5 0.001489 0.40811 5.61798
201 4R33 SAH 0.0009464 0.4219 5.68475
202 4R33 TRP 0.0009464 0.4219 5.68475
203 4KOA NDP 0.0009703 0.41612 5.70571
204 1NHZ 486 0.0002281 0.42629 5.71429
205 1HDR NAD 0.001416 0.43198 5.7377
206 2GJ3 FAD 0.00194 0.40783 5.83333
207 1SQ5 PAU 0.002655 0.42894 5.84416
208 3M0J OAF 0.003207 0.40104 5.86319
209 3MD0 GDP 0.003943 0.41652 5.91549
210 3L0E G58 0.001013 0.41216 5.92885
211 1R27 MGD 0.0008338 0.42764 5.94315
212 3FC4 EDO 0.004419 0.41709 5.94315
213 4AQL TXC 0.0001983 0.41359 5.94315
214 3GE7 AFQ 0.0006978 0.42647 5.95855
215 1POC GEL 0.0001409 0.42002 5.97015
216 3OIG IMJ 0.002313 0.4085 6.01504
217 2PR5 FMN 0.0003365 0.42752 6.06061
218 2VBQ BSJ 0.00342 0.40384 6.06061
219 4M51 BEZ 0.0007537 0.48192 6.20155
220 1Y42 TYR 0.001232 0.4429 6.20155
221 2TPL HPP 0.000176 0.43575 6.20155
222 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.0008246 0.43248 6.20155
223 2ZX7 ZX7 0.00271 0.40288 6.20155
224 1Z44 NPO 0.01425 0.44309 6.21302
225 1Z41 FMN 0.003185 0.40202 6.21302
226 3BHO B4P 0.03954 0.41081 6.25
227 1QY1 PRZ 0.0002293 0.42414 6.32184
228 3BY8 MLT 0.01147 0.41828 6.33803
229 1JQI FAD 0.004168 0.40316 6.45995
230 1KDK DHT 0.0001178 0.43562 6.77966
231 1R6D DAU 0.001294 0.43605 6.82493
232 1R6D NAD 0.002624 0.4255 6.82493
233 2Y7P SAL 0.007437 0.41016 6.88073
234 1YOA FMN 0.01253 0.4462 6.91824
235 1SAY PYR 0.03845 0.40646 6.92521
236 2YGN PCF 0.002227 0.40369 7.05128
237 1LCP PLU 0.001388 0.40598 7.23514
238 3K37 BCZ 0.0191 0.40492 7.23514
239 3KJQ B94 0.001607 0.42195 7.31707
240 1FW1 GSH 0.0004878 0.43637 7.40741
241 4ARF IP8 GLY PRO ALA 0.00003701 0.4309 7.49354
242 1WNG SAH 0.0003802 0.41321 7.54717
243 4BMO FMN 0.001078 0.40962 7.56302
244 1ZK4 AC0 0.008175 0.42041 7.56972
245 1ZK4 NAP 0.008175 0.42041 7.56972
246 4CKU P2F 0.00808 0.40341 7.59878
247 3OZG SSI 0.0002146 0.41081 7.6
248 2R40 EPH 0.0003057 0.43519 7.60456
249 1MZV AMP 0.007068 0.40167 7.65957
250 3I28 34N 0.0008874 0.43753 7.75194
251 1QZZ SAM 0.001807 0.41532 7.75401
252 1SS4 CIT 0.0001866 0.57105 7.84314
253 1SS4 GSH 0.006206 0.4635 7.84314
254 4IXW IXW 0.004397 0.4146 7.87402
255 4TMK T5A 0.006192 0.43689 7.98122
256 3O55 FAD 0.001401 0.40585 8
257 2IYG FMN 0.0001873 0.45754 8.06452
258 1QO0 BMD 0.01142 0.41258 8.16327
259 1YRX FMN 0.0012 0.4219 8.26446
260 2P8B NSK 0.03863 0.40317 8.40108
261 1OAA OAA 0.0001245 0.46525 8.49421
262 3GWT 066 0.000575 0.42656 8.49858
263 3WO0 ADP 0.002847 0.40896 8.78553
264 3WO0 ALA 0.002847 0.40896 8.78553
265 3ZPG 5GP 0.006052 0.44568 8.90052
266 4HA6 FAD 0.005165 0.40697 9.04393
267 1T0S BML 0.000513 0.49001 9.30233
268 2OFE NAG 0.007615 0.42051 9.85915
269 4OJ8 AKG 0.000000001482 0.58467 9.89761
270 4OJ8 2TQ 0.000000004567 0.57902 9.89761
271 4O8A FAD 0.0005016 0.42859 10.0775
272 1TIW TFB 0.005743 0.40041 10.0775
273 1TIW FAD 0.005743 0.40041 10.0775
274 1Y75 NAG 0.005693 0.41004 10.1695
275 1Y52 BTN 0.004877 0.40596 10.3175
276 4RJK PYR 0.001324 0.47007 10.3359
277 2BLE 5GP 0.004913 0.41908 10.3542
278 3PVT 3HC 0.000186 0.45176 10.4247
279 1WUR 8DG 0.0006494 0.41151 10.4545
280 4LHM AZZ 0.01119 0.40764 10.5943
281 1NX4 AKG 0.00000007117 0.46271 10.6227
282 2ORV 4TA 0.0004125 0.40156 10.6838
283 1QDS PGA 0.00592 0.4047 11.1554
284 3IIS PID 0.008543 0.41573 11.2583
285 1ULE GLA GAL NAG 0.03154 0.40315 11.3333
286 1KTC NGA 0.008202 0.40838 11.3695
287 3WD1 ST7 0.00733 0.40148 11.3695
288 1EYE PMM 0.001131 0.42777 11.6279
289 2IUW AKG 0.0000027 0.438 11.7647
290 3S9K CIT 0.008388 0.45314 11.8644
291 4CMF PXG 0.004734 0.41359 12.1118
292 1X1T NAD 0.006153 0.42182 12.6923
293 2EB5 OXL 0.005301 0.42759 12.7341
294 1N9L FMN 0.0005011 0.42163 12.844
295 4OB6 S2T 0.003205 0.40192 13.1965
296 3ICC NAP 0.002165 0.40821 13.7255
297 1ECM TSA 0.0005344 0.45173 13.7615
298 3NFZ 3NF 0.001651 0.4215 13.7615
299 1C1L GAL BGC 0.002173 0.45199 13.8686
300 1OS7 AKG 0.01449 0.41352 14.1343
301 1OS7 TAU 0.01449 0.41352 14.1343
302 1TUV VK3 0.01015 0.43431 14.9123
303 3UXL CFI 0.003356 0.43983 15.4047
304 3R35 4CO 0.003231 0.40093 17.8808
305 3F81 STT 0.021 0.41181 18.5792
306 1F1V DHY 0.0004171 0.45609 19.5046
307 1ZJ6 G3D 0.003301 0.41002 19.7861
308 2V5E SCR 0.01067 0.44111 19.802
309 2E2R 2OH 0.001635 0.41497 24.1803
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