Receptor
PDB id Resolution Class Description Source Keywords
1A5V 1.9 Å EC: 2.7.7.49 ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3 CATION ROUS SARCOMA VIRUS (STRAIN SCHMIDT-RUPORGANISM_TAXID: 11889 HYDROLASE ENDONUCLEASE HIV-1 INTEGRASE INHIBITOR
Ref.: STRUCTURE OF THE CATALYTIC DOMAIN OF AVIAN SARCOMA INTEGRASE WITH A BOUND HIV-1 INTEGRASE-TARGETED INH PROC.NATL.ACAD.SCI.USA V. 95 4831 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:2;
 Part of Protein;
 none;
 submit data
54.938 Mn [Mn+2...
Y3 A:1;
 Valid;
 none;
 ic50 = 800 uM
361.348 C12 H11 N O8 S2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1A5V 1.9 Å EC: 2.7.7.49 ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3 CATION ROUS SARCOMA VIRUS (STRAIN SCHMIDT-RUPORGANISM_TAXID: 11889 HYDROLASE ENDONUCLEASE HIV-1 INTEGRASE INHIBITOR
Ref.: STRUCTURE OF THE CATALYTIC DOMAIN OF AVIAN SARCOMA INTEGRASE WITH A BOUND HIV-1 INTEGRASE-TARGETED INH PROC.NATL.ACAD.SCI.USA V. 95 4831 1998
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1A5V ic50 = 800 uM Y3 C12 H11 N O8 S2 CC(=O)Nc1c....
2 1A5X - Y3 C12 H11 N O8 S2 CC(=O)Nc1c....
3 1A5W - Y3 C12 H11 N O8 S2 CC(=O)Nc1c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 52 families.
1 1A5V ic50 = 800 uM Y3 C12 H11 N O8 S2 CC(=O)Nc1c....
2 1A5X - Y3 C12 H11 N O8 S2 CC(=O)Nc1c....
3 1A5W - Y3 C12 H11 N O8 S2 CC(=O)Nc1c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 52 families.
1 1A5V ic50 = 800 uM Y3 C12 H11 N O8 S2 CC(=O)Nc1c....
2 1A5X - Y3 C12 H11 N O8 S2 CC(=O)Nc1c....
3 1A5W - Y3 C12 H11 N O8 S2 CC(=O)Nc1c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: Y3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 Y3 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1A5V; Ligand: Y3; Similar sites found: 514
This union binding pocket(no: 1) in the query (biounit: 1a5v.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PR9 NAP 0.00006383 0.52516 None
2 2WCV FUC 0.0000487 0.49092 None
3 1JGS SAL 0.001236 0.47657 None
4 1BGQ RDC 0.0005186 0.47467 None
5 1BTN I3P 0.002413 0.47133 None
6 3RO7 TDR 0.00124 0.4594 None
7 3K9W 4PS 0.01251 0.45694 None
8 3K9W ADE 0.01251 0.45694 None
9 2DTX BMA 0.003265 0.45413 None
10 3CQD ATP 0.005401 0.44185 None
11 3RGG AIR 0.0008766 0.43919 None
12 3BL6 FMC 0.001787 0.43827 None
13 3D3W NAP 0.004749 0.43738 None
14 1SSQ CYS 0.01261 0.43256 None
15 3VHZ L2P GLC MAN SGA 0.02691 0.42884 None
16 2XBP ATP 0.01762 0.42563 None
17 2P4T NAP 0.008952 0.4249 None
18 4HZD COA 0.01491 0.41933 None
19 3VHZ SOG 0.04337 0.41589 None
20 1O6B ADP 0.02704 0.41553 None
21 1UO5 PIH 0.01857 0.4152 None
22 4I9A NCN 0.01399 0.4136 None
23 2OYS FMN 0.008382 0.4131 None
24 2HMT NAI 0.03705 0.41129 None
25 4G28 0W8 0.000936 0.40942 None
26 2FNU PMP UD1 0.04041 0.40889 None
27 1FMB HYB 0.005646 0.40828 None
28 1UO4 PIH 0.01994 0.40532 None
29 3BY8 MLT 0.007323 0.40458 None
30 2ALG DAO 0.01334 0.40432 None
31 2ALG HP6 0.01334 0.40432 None
32 1OGZ EQU 0.007112 0.4041 None
33 3HY3 10F 0.01699 0.40289 None
34 3T2W BTN 0.007065 0.40179 None
35 3GEG NAD 0.0008613 0.46647 1.26582
36 9LDB NAD 0.002182 0.45267 1.26582
37 2BZ1 TAU 0.004325 0.44826 1.26582
38 4BAS GNP 0.001859 0.44148 1.26582
39 2WSB NAD 0.02873 0.42306 1.26582
40 4ME6 ADP 0.002072 0.41482 1.26582
41 9LDT OXM 0.02444 0.40091 1.26582
42 3WSJ MK1 0.03174 0.41176 1.72414
43 1H2B NAJ 0.002033 0.45668 1.89873
44 4C0X AQN 0.002328 0.4514 1.89873
45 1L1Q 9DA 0.001272 0.44665 1.89873
46 1GSA ADP 0.008061 0.44308 1.89873
47 1VJT NAD 0.001749 0.4407 1.89873
48 4O1M NAD 0.004019 0.43935 1.89873
49 4C0X FMN 0.003574 0.43739 1.89873
50 1B74 DGN 0.002152 0.43531 1.89873
51 1IM8 SAI 0.002687 0.43454 1.89873
52 3FPZ AHZ 0.02802 0.43299 1.89873
53 4B16 NAG 0.006081 0.43096 1.89873
54 4M73 M72 0.02292 0.42726 1.89873
55 1Y42 TYR 0.000614 0.42612 1.89873
56 2PNZ UDP 0.007711 0.42107 1.89873
57 3GWT 066 0.01304 0.41747 1.89873
58 1GSA GSH 0.0222 0.41705 1.89873
59 3P0K FAD 0.008815 0.41383 1.89873
60 4JWH SAH 0.01985 0.41051 1.89873
61 1G8S MET 0.003804 0.41032 1.89873
62 1NNS ASP 0.0008593 0.40864 1.89873
63 2C4I BTN 0.007592 0.40735 1.89873
64 3PY5 AMP 0.009254 0.40371 1.89873
65 1SQ5 ADP 0.0005077 0.40101 1.89873
66 3JQM GTP 0.003962 0.40948 1.91083
67 3R35 4CO 0.003343 0.44428 1.98676
68 3UEC ALA ARG TPO LYS 0.0001066 0.48408 2.05479
69 1NU4 MLA 0.01302 0.42327 2.06186
70 4F8L GAL 0.0002878 0.50949 2.06897
71 4R33 TRP 0.0005317 0.48322 2.53165
72 4R33 SAH 0.0005317 0.48322 2.53165
73 3O03 NAP 0.0009678 0.46263 2.53165
74 4HA6 FAD 0.003605 0.4561 2.53165
75 1GJW GLC 0.0004875 0.45553 2.53165
76 2OI2 DP6 0.0004494 0.454 2.53165
77 1YOA FMN 0.006775 0.4381 2.53165
78 2D0V PQQ 0.002102 0.43725 2.53165
79 1J5P NAD 0.003942 0.43696 2.53165
80 1GPJ CIT 0.001154 0.43187 2.53165
81 1ZFJ IMP 0.04072 0.43091 2.53165
82 1I0Z OXM 0.004688 0.42783 2.53165
83 2Z81 PCJ 0.01489 0.42701 2.53165
84 1IYE PGU 0.009293 0.42416 2.53165
85 4BI7 PGA 0.001847 0.42304 2.53165
86 2WTX UDP 0.02467 0.41969 2.53165
87 4AIG FLX 0.00331 0.41539 2.53165
88 1U7Z PMT 0.01634 0.41531 2.53165
89 2WTX VDO 0.02761 0.41483 2.53165
90 1LLU NAD 0.03328 0.41366 2.53165
91 3CEV ARG 0.0008978 0.40761 2.53165
92 3R51 MMA 0.01454 0.40456 2.53165
93 2B4Q NAP 0.02366 0.4045 2.53165
94 3H22 B53 0.008926 0.40224 2.53165
95 4PO2 ASN ARG LEU LEU LEU THR GLY 0.009445 0.41252 2.55319
96 1SS4 GSH 0.0002889 0.52114 2.61438
97 1SS4 CIT 0.004617 0.47357 2.61438
98 1C0I BE2 0.0005827 0.49542 3.16456
99 1C0I FAD 0.0005827 0.49542 3.16456
100 3JDW ORN 0.0002738 0.4683 3.16456
101 1P9B IMO 0.0009132 0.4604 3.16456
102 1D3V ABH 0.001049 0.45945 3.16456
103 3IOI 1GW 0.001967 0.45604 3.16456
104 2VBQ BSJ 0.002247 0.45595 3.16456
105 1QF5 RPL 0.004884 0.45345 3.16456
106 1QF5 GDP 0.004884 0.45345 3.16456
107 1LTH NAD 0.009885 0.44199 3.16456
108 3OND ADN 0.01105 0.43654 3.16456
109 3OND NAD 0.01105 0.43654 3.16456
110 3L24 GOA 0.003261 0.43528 3.16456
111 2QIA U20 0.01415 0.43483 3.16456
112 3PJU C2E 0.004093 0.43478 3.16456
113 1V2G OCA 0.001318 0.43457 3.16456
114 1I2B UPG 0.01567 0.43376 3.16456
115 1I2B USQ 0.01567 0.43376 3.16456
116 1I2B NAD 0.01567 0.43376 3.16456
117 2Q3M MLA 0.003804 0.43212 3.16456
118 1PFK ADP 0.002096 0.43099 3.16456
119 3WCS MAN NAG GAL 0.001428 0.43045 3.16456
120 1P9B GDP 0.002636 0.42897 3.16456
121 4N7C AEF 0.002026 0.42876 3.16456
122 3F81 STT 0.004755 0.42755 3.16456
123 1A8R GTP 0.003761 0.42636 3.16456
124 4GA6 AMP 0.008978 0.42322 3.16456
125 3FXU TSU 0.006734 0.42216 3.16456
126 1QS0 TDP 0.005228 0.42019 3.16456
127 4A6D SAM 0.005406 0.41957 3.16456
128 4A3R CIT 0.01587 0.41807 3.16456
129 1HQL GLA MBG 0.0005991 0.41794 3.16456
130 3SVL FMN 0.004854 0.41768 3.16456
131 3VPQ GSH 0.001836 0.41693 3.16456
132 1P9B HDA 0.002233 0.41352 3.16456
133 1V9N NDP 0.03174 0.41294 3.16456
134 2C5S AMP 0.0008869 0.41187 3.16456
135 3L9W AMP 0.0455 0.40392 3.16456
136 4AMV F6R 0.009572 0.40308 3.16456
137 2JFV FLC 0.001578 0.42622 3.78007
138 1R0X ATP 0.0005345 0.48312 3.79747
139 2GDZ NAD 0.0007188 0.47303 3.79747
140 3ZS7 ATP 0.0004392 0.47063 3.79747
141 1NZY BCA 0.0007849 0.46827 3.79747
142 1TDF FAD 0.002669 0.46505 3.79747
143 1TDF NAP 0.00553 0.46505 3.79747
144 2ZWS PLM 0.002475 0.46089 3.79747
145 3ZLM ANP 0.0007264 0.455 3.79747
146 1Z42 HBA 0.005625 0.44975 3.79747
147 3CXO 1N5 0.003359 0.44419 3.79747
148 2Q8H TF4 0.002241 0.44297 3.79747
149 3DCM SAM 0.001671 0.44155 3.79747
150 3BLI ACO 0.002089 0.44112 3.79747
151 3DAG FEG 0.003443 0.43659 3.79747
152 1ZUW DGL 0.001092 0.43236 3.79747
153 1JUV NDP 0.00471 0.43206 3.79747
154 1TUF AZ1 0.004743 0.42888 3.79747
155 1QH9 LAC 0.001399 0.4284 3.79747
156 4AQL TXC 0.002998 0.42658 3.79747
157 2BNE U5P 0.01102 0.42373 3.79747
158 1NML CIT 0.000676 0.4237 3.79747
159 2DWU DGL 0.0004319 0.42344 3.79747
160 2R42 FPS 0.004733 0.42206 3.79747
161 1OMZ UD2 0.02064 0.42028 3.79747
162 2Q1A 2KT 0.003454 0.41206 3.79747
163 1B8U NAD 0.009332 0.41107 3.79747
164 2NT8 ATP 0.01749 0.40923 3.79747
165 4LXH C1E 0.007842 0.40879 3.79747
166 4G10 GSH 0.007265 0.40816 3.79747
167 2P41 SAH 0.009053 0.40806 3.79747
168 3I0O SMI 0.003097 0.40783 3.79747
169 2NCD ADP 0.003335 0.40654 3.79747
170 1CL2 PPG 0.01104 0.40616 3.79747
171 4LSJ LSJ 0.01585 0.40106 3.79747
172 3QDT A2G GAL 0.003224 0.42738 4.1958
173 3QDV NDG 0.0006379 0.41905 4.1958
174 1Y2W NAG 0.002096 0.42109 4.22535
175 2WQP WQP 0.0002897 0.48591 4.43038
176 1RYI GOA 0.003628 0.45639 4.43038
177 4M5P MLA 0.002277 0.45207 4.43038
178 1YGC 905 0.0009609 0.4519 4.43038
179 2PWY SAH 0.001304 0.45184 4.43038
180 3TO7 COA 0.00401 0.44892 4.43038
181 1ITZ TPP 0.001534 0.44877 4.43038
182 2HW1 FRU 0.0003505 0.44572 4.43038
183 1WUR 8DG 0.001642 0.44568 4.43038
184 2R00 OEG 0.00009682 0.4446 4.43038
185 4G1V FAD 0.00268 0.44445 4.43038
186 1MVN PCO 0.01144 0.44145 4.43038
187 3ZPG 5GP 0.002436 0.44126 4.43038
188 2DKH FAD 0.005431 0.43721 4.43038
189 1PL6 NAD 0.002703 0.43625 4.43038
190 2CKM AA7 0.008788 0.43601 4.43038
191 3RFV NAI 0.004215 0.43566 4.43038
192 1PL6 572 0.005964 0.43535 4.43038
193 1MVN FMN 0.008056 0.43484 4.43038
194 2YIV YIV 0.00225 0.43443 4.43038
195 1VPM COA 0.00329 0.43424 4.43038
196 3RFV 15L 0.004631 0.43238 4.43038
197 2HW1 ANP 0.003062 0.43209 4.43038
198 2BGM NAJ 0.02026 0.4297 4.43038
199 1R18 SAH 0.003953 0.42904 4.43038
200 4DXJ IPE 0.001669 0.42484 4.43038
201 3CBG SAH 0.003369 0.42443 4.43038
202 2NS1 ADP 0.011 0.42376 4.43038
203 4KQI NIO 0.01057 0.42162 4.43038
204 4KQI RBZ 0.01057 0.42162 4.43038
205 1F8F NAD 0.02944 0.42041 4.43038
206 4BMO FMN 0.00802 0.42031 4.43038
207 1I9G SAM 0.02277 0.41991 4.43038
208 4CMF PXG 0.0302 0.41706 4.43038
209 1Q3Q ANP 0.0385 0.416 4.43038
210 4M5P 23W 0.006489 0.41365 4.43038
211 3QV9 QV7 0.002282 0.41315 4.43038
212 4P05 4NS 0.009639 0.41214 4.43038
213 1QRP HH0 0.02793 0.41026 4.43038
214 1XTP SAI 0.01814 0.40997 4.43038
215 2BO4 FLC 0.006316 0.40737 4.43038
216 2DKH 3HB 0.03319 0.40701 4.43038
217 2FWP CIT 0.02247 0.4067 4.43038
218 1XX4 BAM 0.01359 0.40596 4.43038
219 3UER BTU 0.006795 0.40492 4.43038
220 3UER TUR 0.006795 0.40492 4.43038
221 1OTH PAO 0.02666 0.40443 4.43038
222 1WRA PC 0.007645 0.40377 4.43038
223 3PNL ADP 0.01547 0.40313 4.43038
224 1UF5 CDT 0.0009918 0.40026 4.43038
225 2GJ3 FAD 0.006997 0.42912 5
226 1O9U ADZ 0.0002773 0.48575 5.06329
227 2I4O ATP 0.0001169 0.47525 5.06329
228 4N02 FNR 0.002024 0.47513 5.06329
229 1FIQ FAD 0.001303 0.46677 5.06329
230 1FIQ SAL 0.00145 0.46206 5.06329
231 1OAA OAA 0.003485 0.45679 5.06329
232 2J8Z NAP 0.001569 0.45632 5.06329
233 1WVC CTP 0.0114 0.45475 5.06329
234 1UXG NAD 0.004231 0.44784 5.06329
235 1UXG FUM 0.004231 0.44784 5.06329
236 1P72 ADP 0.003398 0.44397 5.06329
237 4B9E FAH 0.001282 0.43737 5.06329
238 3IB8 AMP 0.001553 0.43411 5.06329
239 2XK9 XK9 0.006856 0.43375 5.06329
240 2C7G FAD 0.01791 0.43163 5.06329
241 3GE7 AFQ 0.007376 0.43114 5.06329
242 2C7G ODP 0.01819 0.43062 5.06329
243 4MWV BCZ 0.009704 0.43006 5.06329
244 2YBQ SAH 0.003532 0.42754 5.06329
245 1X8X TYR 0.0003127 0.41704 5.06329
246 2HVW DDN 0.004368 0.41528 5.06329
247 1FIQ MTE 0.01401 0.41484 5.06329
248 2YBQ UP2 0.02012 0.41432 5.06329
249 3A8U PLP 0.002246 0.41342 5.06329
250 1P72 THM 0.002898 0.41212 5.06329
251 2NLI FMN 0.04014 0.41106 5.06329
252 2NLI LAC 0.04014 0.41106 5.06329
253 1ZED PNP 0.005343 0.41052 5.06329
254 1ECC PCP 0.01188 0.40975 5.06329
255 1WTC ACP 0.00602 0.40943 5.06329
256 2RFZ CTR 0.02266 0.4056 5.06329
257 2GSD NAD 0.03071 0.40477 5.06329
258 2YK7 CSF 0.01256 0.40374 5.06329
259 1WGC SIA GAL BGC 0.02287 0.40235 5.06329
260 2O66 FLC 0.004091 0.40299 5.18518
261 2OFD NGA 0.003434 0.41217 5.6338
262 2OFE NAG 0.006621 0.40029 5.6338
263 1SOW NAD 0.0002647 0.49558 5.6962
264 3F3E LEU 0.0008639 0.47866 5.6962
265 2D37 NAD 0.0005322 0.4758 5.6962
266 2D37 FMN 0.000489 0.4758 5.6962
267 3B1F NAD 0.0003816 0.47329 5.6962
268 1JIL 485 0.0003679 0.46985 5.6962
269 3WE0 FAD 0.00192 0.46899 5.6962
270 1UZN NAP 0.001137 0.44221 5.6962
271 2HGS GSH 0.00113 0.4399 5.6962
272 2PUL ACP 0.001675 0.4351 5.6962
273 1DSS NAD 0.00468 0.43068 5.6962
274 2BLE 5GP 0.02275 0.42853 5.6962
275 4QN7 G39 0.009778 0.42778 5.6962
276 2PJL 047 0.01361 0.41952 5.6962
277 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.02974 0.41702 5.6962
278 2W1A TSA 0.003076 0.4167 5.6962
279 2Q97 ATP 0.009514 0.41238 5.6962
280 3FED BIX 0.006541 0.41215 5.6962
281 1T0S BML 0.007395 0.41109 5.6962
282 2HGS ADP 0.02147 0.41054 5.6962
283 3IL6 B83 0.009304 0.40938 5.6962
284 4Q3R XA2 0.01939 0.40324 5.6962
285 1VR0 3SL 0.006064 0.40192 5.6962
286 3TA2 AKG 0.001217 0.46128 5.9322
287 3TA2 ATP 0.002121 0.45647 5.9322
288 2WOR 2AN 0.002831 0.40121 6
289 1H8G CHT 0.007795 0.43492 6.31579
290 1EDO NAP 0.0007624 0.50637 6.32911
291 1R37 NAD 0.001694 0.46156 6.32911
292 1Q0H NDP 0.006054 0.44901 6.32911
293 2QS8 MET 0.003231 0.44224 6.32911
294 3K56 IS3 0.001081 0.4407 6.32911
295 1Q0H FOM 0.009321 0.43839 6.32911
296 3AHC TPP 0.00457 0.43683 6.32911
297 4DQ2 BTX 0.004368 0.43636 6.32911
298 4M2K PLP 0.0008884 0.43603 6.32911
299 4PLG OXM 0.009928 0.4296 6.32911
300 4PLG NAI 0.009928 0.4296 6.32911
301 2IUW AKG 0.00129 0.42941 6.32911
302 4OE4 NAD 0.009465 0.42318 6.32911
303 1UBY DMA 0.004366 0.41963 6.32911
304 4BT5 23B 0.002482 0.41779 6.32911
305 2AOT SAH 0.01151 0.41661 6.32911
306 3SUC ATP 0.005291 0.41505 6.32911
307 2VJJ RAM GLC GAL NAG NAG GLC 0.03293 0.41488 6.32911
308 1R27 MGD 0.02328 0.41137 6.32911
309 1RY2 AMP 0.0132 0.41069 6.32911
310 2VAR KDF 0.0003102 0.40961 6.32911
311 2VAR AMP 0.0006213 0.40774 6.32911
312 4HZX G39 0.03731 0.4046 6.32911
313 3CQ5 PMP 0.001424 0.40398 6.32911
314 2WPX ACO 0.02451 0.40281 6.32911
315 2X61 CH 0.04074 0.40279 6.32911
316 4NAO AKG 0.008228 0.40238 6.32911
317 3U5S FAD 0.00771 0.41468 6.34921
318 4KCF AKM 0.000389 0.47485 6.96203
319 1E7S NAP 0.001768 0.45814 6.96203
320 2IMP NAI 0.01041 0.45471 6.96203
321 3C1O NAP 0.001786 0.44757 6.96203
322 2H6T IVA VAL VAL STA ALA STA 0.001046 0.44603 6.96203
323 1JA9 PYQ 0.004338 0.4365 6.96203
324 1NW5 SAM 0.002249 0.43599 6.96203
325 3OIG NAD 0.02039 0.43087 6.96203
326 3U4C NDP 0.006729 0.42793 6.96203
327 2WE5 ADP 0.002876 0.42289 6.96203
328 4IVG ANP 0.02922 0.41776 6.96203
329 3OIG IMJ 0.01521 0.41674 6.96203
330 4KCF FMN 0.00718 0.40838 6.96203
331 3TKA CTN 0.01258 0.40569 6.96203
332 1FP1 SAH 0.008822 0.40459 6.96203
333 1CZI PRO PHI SMC NOR 0.0332 0.40201 6.96203
334 1T57 FMN 0.03112 0.40109 6.96203
335 5IDB MAN 0.02491 0.40208 7.04225
336 5IDB BMA 0.02491 0.40208 7.04225
337 1YAG ATP 0.01254 0.40872 7.2
338 3PAK MAN 0.005342 0.41487 7.43243
339 2YVF FAD 0.00532 0.4601 7.59494
340 2YVF NAD 0.005494 0.4601 7.59494
341 1UAY ADN 0.0007508 0.44734 7.59494
342 2PT9 S4M 0.002087 0.44622 7.59494
343 1TRD PGH 0.00093 0.44087 7.59494
344 4JCA CIT 0.003866 0.4407 7.59494
345 3A2Q ACA ACA 0.00147 0.43975 7.59494
346 1XVV CCQ 0.007866 0.43633 7.59494
347 4LFL TG6 0.001298 0.43216 7.59494
348 1FDJ 2FP 0.001844 0.4285 7.59494
349 4C0C WVH 0.01534 0.42727 7.59494
350 4USQ FAD 0.01063 0.425 7.59494
351 4FGC PQ0 0.001828 0.417 7.59494
352 1MG1 MAL 0.0121 0.40781 7.59494
353 2PT9 2MH 0.027 0.40633 7.59494
354 4I5I NAD 0.03731 0.40584 7.59494
355 4KXQ APR 0.02769 0.40574 7.59494
356 2ZE3 AKG 0.004234 0.40239 7.59494
357 4IOK ADP 0.0004957 0.47554 8.22785
358 4IOK XPO 0.0004776 0.47095 8.22785
359 2XVE FAD 0.003591 0.46913 8.22785
360 2HGZ PBF 0.0007896 0.46318 8.22785
361 1YBH FAD 0.003815 0.45098 8.22785
362 1KBJ FMN 0.002809 0.44051 8.22785
363 1NVU GTP 0.01388 0.43632 8.22785
364 2IZ1 ATR 0.0009052 0.43626 8.22785
365 3HZS M0E 0.008717 0.43618 8.22785
366 4OYA 1VE 0.03472 0.43532 8.22785
367 2AMV BIN 0.01628 0.43003 8.22785
368 3ZGE ASP 0.003581 0.42532 8.22785
369 4EKV BTN 0.01137 0.42254 8.22785
370 1TU3 GNP 0.008518 0.41915 8.22785
371 1H16 DTL 0.008343 0.416 8.22785
372 1RZM PEP 0.001456 0.41178 8.22785
373 3BS8 PMP 0.004948 0.41066 8.22785
374 1XPK HMG 0.03457 0.40614 8.22785
375 1RYD GLC 0.004881 0.40581 8.22785
376 1YBH P22 0.005886 0.40506 8.22785
377 3TFC PEP 0.002266 0.40472 8.22785
378 2J7T 274 0.02438 0.40269 8.22785
379 1RZM E4P 0.00838 0.40204 8.22785
380 1H8P PC 0.0004878 0.47419 8.25688
381 3RF4 FUN 0.001098 0.41507 8.62069
382 1B9I PXG 0.0008359 0.46031 8.86076
383 4P3H 25G 0.005081 0.45 8.86076
384 2XDQ MGX 0.002389 0.44165 8.86076
385 1T8U UAP SGN IDS SGN 0.006044 0.44064 8.86076
386 1NN5 ANP 0.006663 0.42944 8.86076
387 1NN5 2DT 0.006663 0.42944 8.86076
388 2QQF A1R 0.005186 0.42871 8.86076
389 4IS0 GDS 0.003078 0.4261 8.86076
390 4LNL PLG 0.002993 0.42217 8.86076
391 2JE7 XMM 0.007886 0.42208 8.86076
392 3V1U NAD 0.009703 0.41663 8.86076
393 1T8U A3P 0.006644 0.4157 8.86076
394 1PEA ACM 0.006854 0.41258 8.86076
395 3W2W ATP 0.004976 0.41056 8.86076
396 4IS0 1R4 0.01181 0.40827 8.86076
397 1KC7 PPR 0.001562 0.40584 8.86076
398 1WDA BAG 0.001636 0.40198 8.86076
399 2OD9 A1R NCA 0.04819 0.40149 8.86076
400 4G17 0VN 0.02089 0.40115 8.86076
401 4LNL 2BO 0.011 0.40053 8.86076
402 4LNL 2BK 0.011 0.40053 8.86076
403 1ULE GLA GAL NAG 0.008722 0.40784 9.33333
404 2A0W DIH 0.0002232 0.50111 9.49367
405 3ICC NAP 0.001423 0.46242 9.49367
406 1DLJ UGA 0.004796 0.45551 9.49367
407 1VDC FAD 0.005098 0.45257 9.49367
408 1C3V NDP 0.003123 0.44562 9.49367
409 2F5T MAL 0.001389 0.44295 9.49367
410 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01206 0.42862 9.49367
411 4NES UD1 0.00338 0.42641 9.49367
412 1DLJ NAI 0.02405 0.42186 9.49367
413 4NES UDP 0.00677 0.41152 9.49367
414 2PQB GG9 0.02376 0.40866 9.49367
415 3TXO 07U 0.006627 0.40767 9.49367
416 4DVE BTN 0.005774 0.40541 9.49367
417 1QDS PGA 0.0009895 0.40247 9.49367
418 5YAS FAC 0.007175 0.40151 9.49367
419 1UQX MMA 0.01018 0.41423 9.73451
420 1V1A ADP 0.003777 0.4392 10.1266
421 1OIK C26 0.00138 0.43865 10.1266
422 2VQ5 HBA 0.001642 0.43271 10.1266
423 2CSN CKI 0.004672 0.43072 10.1266
424 1OFH ADP 0.006393 0.42468 10.1266
425 1H9G COA MYR 0.009255 0.41898 10.1266
426 4RJK PYR 0.005331 0.41751 10.1266
427 3H86 AP5 0.03761 0.40984 10.1266
428 4LWA Q13 0.03554 0.4056 10.1266
429 3SUD SUE 0.02503 0.40538 10.1266
430 3PFG SAM 0.03864 0.40476 10.1266
431 3PFG TLO 0.03864 0.40476 10.1266
432 2RDT 2RD 0.0494 0.40081 10.1266
433 2F01 BTN 0.01896 0.43554 10.2362
434 2F01 BTQ 0.02046 0.43389 10.2362
435 2C31 ADP 0.003316 0.47608 10.7595
436 2C31 TZD 0.003412 0.47608 10.7595
437 3WBF API 0.0007893 0.47541 10.7595
438 3WBF NAP 0.000749 0.47073 10.7595
439 3OZG SSI 0.0007892 0.4489 10.7595
440 4CIB 7UZ 0.000673 0.43438 10.7595
441 2H6B 3C4 0.01193 0.41264 10.7595
442 3TCT 3MI 0.01117 0.43943 11.0236
443 1M5B BN1 0.001299 0.48766 11.3924
444 4F2Q QUS 0.0004308 0.45745 11.3924
445 4GQB 0XU 0.00852 0.4451 11.3924
446 1C4U IH1 0.003073 0.42917 11.3924
447 1WHT BZS 0.0009666 0.42073 11.3924
448 2PTZ PAH 0.005981 0.41174 11.3924
449 3EM1 TYD 0.003917 0.43173 11.6438
450 3S9K CIT 0.01056 0.41882 11.8644
451 3UH0 TSB 0.000239 0.48412 12.0253
452 1P9P SAH 0.001396 0.44875 12.0253
453 3N5O GSH 0.001265 0.44468 12.0253
454 1X54 4AD 0.008517 0.41766 12.0253
455 2TPI ILE VAL 0.01353 0.41506 12.0253
456 3L6R MLI 0.004593 0.41337 12.0253
457 1YOE RIB 0.003456 0.41191 12.0253
458 3B8X G4M 0.03723 0.40996 12.0253
459 2EWM NAD 0.0468 0.40267 12.0253
460 1GU3 BGC BGC BGC BGC BGC 0.002221 0.40225 12.0805
461 2J0W ASP 0.0002865 0.43044 12.6582
462 1Y7P RIP 0.002821 0.41572 12.6582
463 2J0W ADP 0.006829 0.41136 12.6582
464 5FIT AP2 0.004284 0.41327 12.9252
465 3Q9T FAY 0.005195 0.4437 13.2911
466 1GAD NAD 0.001908 0.44952 13.9241
467 3SSO SAH 0.002039 0.43974 13.9241
468 1JN2 SFP 0.02064 0.43314 13.9241
469 4WBD ADP 0.002918 0.4219 13.9241
470 4WBD CIT 0.007868 0.40987 13.9241
471 1CKM GTP 0.00143 0.40347 13.9241
472 4NTD FAD 0.001135 0.47435 14.557
473 4K5S PM0 0.008496 0.4428 14.557
474 4K5S FAD 0.004096 0.4428 14.557
475 3MB5 SAM 0.01091 0.43838 14.557
476 3VZS NAP 0.04478 0.4142 14.557
477 3UIE ANP 0.005393 0.40663 14.557
478 3LZW NAP 0.002214 0.4772 15.1899
479 3LZW FAD 0.001359 0.47071 15.1899
480 1UJ5 5RP 0.000441 0.45434 15.1899
481 1UKW FAD 0.004172 0.44704 15.1899
482 4W6Z ETF 0.006263 0.42189 15.1899
483 4M51 BEZ 0.01018 0.4048 15.1899
484 2TOH HBI 0.01898 0.40224 15.1899
485 1K1Y MAL 0.004703 0.43687 15.8228
486 1D6H COA 0.01456 0.42748 15.8228
487 3KJI ADP 0.004271 0.41792 15.8228
488 1V35 NAI 0.006209 0.44309 16.4557
489 1WVG APR 0.006325 0.42489 16.4557
490 1WVG CXY 0.007904 0.4159 16.4557
491 2NX1 PEP 0.01407 0.41219 16.4557
492 2NX1 RP5 0.01417 0.41206 16.4557
493 1LO0 BC1 0.012 0.40633 16.4557
494 3UR0 SVR 0.00203 0.46882 17.0886
495 1XHL NDP 0.00143 0.46234 17.0886
496 1KOL NAD 0.01883 0.41566 17.0886
497 1XE7 GUN 0.002125 0.44406 17.7215
498 4LTN NAI 0.01821 0.42615 17.7215
499 3WO0 ADP 0.01506 0.42017 17.7215
500 3WO0 ALA 0.01506 0.42017 17.7215
501 4LTN FMN 0.0265 0.41512 17.7215
502 3MAG 3MA 0.008352 0.42412 18.3544
503 3MCT SAH 0.009936 0.40989 18.3544
504 3VPD ANP 0.005047 0.42267 18.9873
505 3S2Y FMN 0.004524 0.41686 18.9873
506 1GEX PLP HSA 0.0154 0.40771 20.2532
507 1X1T NAD 0.01109 0.45003 20.8861
508 4F97 VDO 0.01605 0.42173 20.8861
509 3DDC GNP 0.001546 0.45198 21.519
510 1HEX NAD 0.0184 0.40695 22.7848
511 3ZRR PXG 0.0005242 0.46323 23.4177
512 4GYW UDP 0.01779 0.41249 28.481
513 4INB 1F6 0.003801 0.42616 32.8767
514 4E1N TQX 0.01538 0.40324 34.1772
Pocket No.: 2; Query (leader) PDB : 1A5V; Ligand: Y3; 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: 1a5v.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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