Receptor
PDB id Resolution Class Description Source Keywords
4LSJ 2.35 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE GLUCOCORTICOID RECEPTOR LIGAND BIND BOUND TO A DIBENZOXAPINE SULFONAMIDE HOMO SAPIENS NUCLEAR HORMONE RECEPTOR TRANSCRIPTION
Ref.: GLUCOCORTICOID RECEPTOR MODULATORS INFORMED BY CRYSTALLOGRAPHY LEAD TO A NEW RATIONALE FOR RECEPTO SELECTIVITY, FUNCTION, AND IMPLICATIONS FOR STRUCTU DESIGN. J.MED.CHEM. V. 57 849 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LSJ A:801;
A:802;
Valid;
Valid;
none;
none;
ic50 = 4.38 nM
435.535 C25 H25 N O4 S CC/C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LSJ 2.35 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE GLUCOCORTICOID RECEPTOR LIGAND BIND BOUND TO A DIBENZOXAPINE SULFONAMIDE HOMO SAPIENS NUCLEAR HORMONE RECEPTOR TRANSCRIPTION
Ref.: GLUCOCORTICOID RECEPTOR MODULATORS INFORMED BY CRYSTALLOGRAPHY LEAD TO A NEW RATIONALE FOR RECEPTO SELECTIVITY, FUNCTION, AND IMPLICATIONS FOR STRUCTU DESIGN. J.MED.CHEM. V. 57 849 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 4LSJ ic50 = 4.38 nM LSJ C25 H25 N O4 S CC/C(=C/1c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 4LSJ ic50 = 4.38 nM LSJ C25 H25 N O4 S CC/C(=C/1c....
50% Homology Family (54)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 5JJM - DHT C19 H30 O2 C[C@]12CCC....
2 1T7M - DHT C19 H30 O2 C[C@]12CCC....
3 1T65 - DHT C19 H30 O2 C[C@]12CCC....
4 1T5Z - DHT C19 H30 O2 C[C@]12CCC....
5 2Q7K - TES C19 H28 O2 C[C@]12CC[....
6 4OKT - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
7 3V4A - PK1 C17 H14 Cl2 N2 O2 S C[C@]1(C(=....
8 1T7F - DHT C19 H30 O2 C[C@]12CCC....
9 1T74 - DHT C19 H30 O2 C[C@]12CCC....
10 3V49 ic50 = 9.6 nM PK0 C19 H14 F3 N3 O3 C[C@]1(C(=....
11 4OH5 - HFT C11 H11 F3 N2 O4 CC(C)(C(=O....
12 4OKW - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
13 2Q7L - TES C19 H28 O2 C[C@]12CC[....
14 4OK1 - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
15 4OEZ - DHT C19 H30 O2 C[C@]12CCC....
16 3L3X - DHT C19 H30 O2 C[C@]12CCC....
17 1T73 - DHT C19 H30 O2 C[C@]12CCC....
18 2Q7I - TES C19 H28 O2 C[C@]12CC[....
19 4OEY - DHT C19 H30 O2 C[C@]12CCC....
20 1T7R - DHT C19 H30 O2 C[C@]12CCC....
21 2Q7J - TES C19 H28 O2 C[C@]12CC[....
22 2AO6 - R18 C19 H24 O2 C[C@@]1(CC....
23 4OFR - DHT C19 H30 O2 C[C@]12CCC....
24 3L3Z - DHT C19 H30 O2 C[C@]12CCC....
25 4OFU - DHT C19 H30 O2 C[C@]12CCC....
26 1T63 - DHT C19 H30 O2 C[C@]12CCC....
27 1XOW - R18 C19 H24 O2 C[C@@]1(CC....
28 1T76 - DHT C19 H30 O2 C[C@]12CCC....
29 4OKX - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
30 4OHA - HFT C11 H11 F3 N2 O4 CC(C)(C(=O....
31 1T79 - DHT C19 H30 O2 C[C@]12CCC....
32 4E2J - MOF C27 H30 Cl2 O6 C[C@@H]1C[....
33 4P6W Ki = 0.7 nM MOF C27 H30 Cl2 O6 C[C@@H]1C[....
34 5UFS Ki = 3.2 nM 1TA C24 H31 F O6 C[C@]12C[C....
35 4UDB Ki = 0.18 nM CV7 C28 H38 O6 C[C@]12C[C....
36 4UDA Ki = 6.3 nM DEX C22 H29 F O5 C[C@@H]1C[....
37 1M2Z - DEX C22 H29 F O5 C[C@@H]1C[....
38 3K22 - JZS C22 H21 F6 N5 O3 Cc1cc(c2cn....
39 3MNO - DEX C22 H29 F O5 C[C@@H]1C[....
40 3E7C - 866 C23 H21 Cl2 F4 N5 O3 CCN(C[C@@]....
41 4P6X Ki = 91 nM HCY C21 H30 O5 C[C@]12CCC....
42 3MNP - DEX C22 H29 F O5 C[C@@H]1C[....
43 3MNE - DEX C22 H29 F O5 C[C@@H]1C[....
44 2A3I - C0R C21 H30 O4 C[C@]12CCC....
45 4UDC - DEX C22 H29 F O5 C[C@@H]1C[....
46 5G5W ic50 = 0.0027 uM R8C C24 H19 F4 N3 O2 C[C@@H]([C....
47 4CSJ ic50 = 4.9 nM NN7 C25 H27 F N4 O2 S Cc1cc(c(c(....
48 4UDD - CV7 C28 H38 O6 C[C@]12C[C....
49 5G3J ic50 = 63 nM E7T C22 H19 F5 N2 O3 CC[C@@H]1C....
50 3GN8 - DEX C22 H29 F O5 C[C@@H]1C[....
51 2OVH ic50 = 1 nM AS0 C28 H35 N O4 C[C@]12C[C....
52 4OAR ic50 = 0.038 nM 2S0 C30 H37 N O4 CC(=O)[C@]....
53 4LSJ ic50 = 4.38 nM LSJ C25 H25 N O4 S CC/C(=C/1c....
54 3BQD - DAY C30 H36 N2 O4 C[C@@H]1C[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LSJ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 LSJ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LSJ; Ligand: LSJ; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4lsj.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4LSJ; Ligand: LSJ; Similar sites found: 603
This union binding pocket(no: 2) in the query (biounit: 4lsj.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3QDY CBS 0.000847 0.47104 None
2 3QDW A2G 0.002697 0.46341 None
3 3QDV A2G 0.002875 0.46201 None
4 3SJ0 DXC 0.001934 0.45435 None
5 3QDV NDG 0.002193 0.45181 None
6 3F81 STT 0.003382 0.45036 None
7 3PNA CMP 0.0008483 0.44359 None
8 3QDY A2G GAL 0.004719 0.44335 None
9 3BY8 MLT 0.003405 0.4429 None
10 2FR6 CTN 0.0001249 0.44215 None
11 3QDT A2G GAL 0.005416 0.44045 None
12 3RF4 FUN 0.001676 0.43731 None
13 3QDW NDG 0.005279 0.43402 None
14 2WOR 2AN 0.01066 0.43187 None
15 5FUS DAO 0.01863 0.42449 None
16 1UO4 PIH 0.01185 0.42196 None
17 3JQM GTP 0.003639 0.41794 None
18 2FR6 URI 0.0009095 0.41282 None
19 2QQD AG2 0.02004 0.40888 None
20 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.01377 0.40863 None
21 1NU4 MLA 0.04417 0.40822 None
22 3KMT SAH 0.003635 0.40407 None
23 4DZ1 DAL 0.02313 0.40382 None
24 1LNX URI 0.01219 0.40114 None
25 1H2B OCA 0.01607 0.40079 0.775194
26 1Y7P RIP 0.004279 0.44541 0.896861
27 1W3R PYR 0.003834 0.44772 0.925926
28 4OB6 S2T 0.00009123 0.45752 1.16279
29 3BRE C2E 0.004224 0.43203 1.16279
30 1TDF NAP 0.01452 0.40739 1.16279
31 1TDF FAD 0.006484 0.40606 1.16279
32 2Y7P SAL 0.003379 0.42454 1.37615
33 2UZ2 BTN 0.002624 0.40505 1.53846
34 1Z42 HBA 0.001955 0.49558 1.55039
35 2FGQ MLT 0.001084 0.45854 1.55039
36 2DWU DGL 0.0006005 0.44968 1.55039
37 1Z42 FMN 0.0003188 0.44873 1.55039
38 1Z44 FMN 0.0003399 0.44218 1.55039
39 3VPD CIT 0.01051 0.44146 1.55039
40 1Z44 NPO 0.02119 0.43348 1.55039
41 3VPD BUA 0.01726 0.43282 1.55039
42 1Z41 FMN 0.0004738 0.4318 1.55039
43 2OHV NHL 0.008736 0.42275 1.55039
44 3LM9 ADP 0.001895 0.41922 1.55039
45 1Z48 FMN 0.001207 0.41719 1.55039
46 1YKD CMP 0.0049 0.41414 1.55039
47 1P9B GDP 0.001158 0.41343 1.55039
48 4WVH ASP HIS ASP ALA HIS ALA 0.006371 0.40806 1.55039
49 3AYS CT3 0.005689 0.40538 1.8617
50 3TL1 JRO 0.02389 0.40492 1.88679
51 3PNL ADP 0.0006541 0.41141 1.89573
52 3IHB GLU 0.0003649 0.48806 1.93798
53 3IHB TRS 0.00087 0.48003 1.93798
54 3O01 DXC 0.000724 0.47694 1.93798
55 2HFK E4H 0.0002159 0.47458 1.93798
56 3MCT 3MC 0.002359 0.43109 1.93798
57 2HHP FLC 0.001111 0.41792 1.93798
58 3ZQE DXC 0.01876 0.41622 1.93798
59 5T0A A3P 0.002653 0.416 1.93798
60 4C1K PEP 0.005566 0.41545 1.93798
61 3TXO 07U 0.002242 0.41184 1.93798
62 3I8P 840 0.001773 0.41118 1.93798
63 3MAG 3MA 0.0417 0.40956 1.93798
64 2QF7 COA 0.003125 0.4065 1.93798
65 3SIX GDP 0.004186 0.40608 1.93798
66 1KYZ SAH 0.001693 0.40363 1.93798
67 2WQP WQP 0.001845 0.40346 1.93798
68 3DG6 MUC 0.01308 0.40203 1.93798
69 1HQL GLA MBG 0.01271 0.4162 1.94553
70 3RET PYR 0.01071 0.40608 1.9802
71 1SBR VIB 0.00101 0.47563 2
72 1TRD PGH 0.005979 0.40017 2
73 4COQ SAN 0.0003682 0.47958 2.02429
74 3AQT RCO 0.004059 0.44932 2.04082
75 1SJW NGV 0.001979 0.40946 2.08333
76 4AF5 CIT 0.0004991 0.47366 2.10526
77 2HVW DDN 0.003483 0.40476 2.17391
78 2Q4X HMH 0.02819 0.40094 2.26244
79 1DXY COI 0.0007843 0.49047 2.32558
80 1M1B SPV 0.0002479 0.47939 2.32558
81 4O8A 2OP 0.002239 0.46749 2.32558
82 1ZGA HMK 0.0001951 0.45686 2.32558
83 1ZUW DGL 0.0004025 0.45672 2.32558
84 2EB5 OXL 0.001447 0.45291 2.32558
85 4WBD ADP 0.002896 0.44618 2.32558
86 4CIB 7UZ 0.001848 0.44159 2.32558
87 2C4I BTN 0.0005302 0.43004 2.32558
88 4M2K PLP 0.001868 0.42969 2.32558
89 2OWZ CIT 0.004867 0.42926 2.32558
90 2PP3 LGT 0.001072 0.42371 2.32558
91 1FP1 HCC 0.0004971 0.42175 2.32558
92 3QO8 SSA 0.001247 0.41668 2.32558
93 3A2Q ACA ACA 0.0009691 0.41614 2.32558
94 4WBD CIT 0.01728 0.41595 2.32558
95 2HXT EHM 0.00183 0.41512 2.32558
96 3LST SAH 0.002443 0.41501 2.32558
97 1ZGA SAH 0.0022 0.41215 2.32558
98 1BRW URA 0.02083 0.40984 2.32558
99 1CBF SAH 0.002119 0.40839 2.32558
100 3IL6 B83 0.00103 0.40694 2.32558
101 4L7I SAM 0.001932 0.40565 2.32558
102 4B9E FAH 0.02249 0.40457 2.32558
103 1ZS6 ADP 0.001681 0.43155 2.36686
104 1OGZ EQU 0.0005756 0.43895 2.4
105 2Z9I GLY ALA THR VAL 0.02471 0.40916 2.46914
106 3R51 MMA 0.001994 0.47003 2.5
107 2GJ3 FAD 0.001547 0.40109 2.5
108 1AX2 NDG GAL 0.007561 0.40986 2.51046
109 1XNK XS2 0.0008166 0.42329 2.55102
110 1QH9 LAC 0.001121 0.45789 2.58621
111 3CBG FER 0.005344 0.44841 2.58621
112 3CBG SAH 0.0001906 0.44084 2.58621
113 3CBG 4FE 0.02073 0.4258 2.58621
114 4F4S EFO 0.0001693 0.479 2.63158
115 4OHB 5HM 0.001674 0.41207 2.63158
116 3UCJ AZM 0.001849 0.42987 2.64317
117 1JH7 UVC 0.001966 0.44043 2.6455
118 2BOI MFU 0.004566 0.41906 2.65487
119 1ZJ6 G3D 0.005789 0.4007 2.6738
120 1EYQ NAR 0.001086 0.43925 2.7027
121 3L24 GOA 0.0003101 0.51079 2.71318
122 2QCX PF1 0.0002771 0.47729 2.71318
123 3P7I P7I 0.0002594 0.47124 2.71318
124 1G0V NAG 0.004655 0.45981 2.71318
125 1OIK AKG 0.001083 0.45856 2.71318
126 4WX0 HXD 0.0001226 0.45291 2.71318
127 1P72 THM 0.001356 0.44117 2.71318
128 3QP6 HL6 0.0003842 0.44021 2.71318
129 4NES UDP 0.0002288 0.43807 2.71318
130 1X8X TYR 0.001383 0.42955 2.71318
131 2ZJ5 ADP 0.003577 0.42916 2.71318
132 1EYE PMM 0.001128 0.42781 2.71318
133 1OIK C26 0.0006322 0.42729 2.71318
134 3D2Y AH0 ALA FGA LYS 0.0003507 0.42691 2.71318
135 2Q3M MLA 0.01591 0.42441 2.71318
136 3OID TCL 0.01165 0.42106 2.71318
137 3I0O ADP 0.002483 0.41956 2.71318
138 1Z45 GAL 0.004489 0.41937 2.71318
139 1NNS ASP 0.002901 0.4169 2.71318
140 4QVH FLC 0.04812 0.41507 2.71318
141 2C31 TZD 0.009802 0.41458 2.71318
142 1ZPD CIT 0.02145 0.41419 2.71318
143 3JQ3 ADP 0.003487 0.41375 2.71318
144 3DX5 DHB 0.004889 0.40797 2.71318
145 1TFZ 869 0.001194 0.40481 2.71318
146 3JYN NDP 0.00002064 0.40337 2.71318
147 1Z45 UPG 0.00194 0.40162 2.71318
148 1ECM TSA 0.00119 0.43763 2.75229
149 3WCS MAN NAG GAL 0.0002922 0.45607 2.75591
150 3WCS MAN NAG 0.0006161 0.45551 2.75591
151 1Y13 BIO 0.001472 0.42848 2.76243
152 4LWM MHO 0.02033 0.45639 2.76498
153 3OZG SSI 0.003352 0.40122 2.8
154 4N7C AEF 0.0009739 0.46822 2.84091
155 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0003536 0.40286 2.97872
156 1II5 GLU 0.005645 0.42056 3.00429
157 4IN9 SER TRP PHE PRO 0.03445 0.4 3.01205
158 1ZZ7 S0H 0.0007683 0.45149 3.0303
159 4FGC PQ0 0.001399 0.44683 3.0303
160 3SCH TB6 0.009068 0.4171 3.0303
161 1O9U ADZ 0.001139 0.48229 3.10078
162 3WKX FUB 0.0008672 0.46289 3.10078
163 2XDQ MGX 0.006636 0.44365 3.10078
164 3QV9 QV7 0.002936 0.43288 3.10078
165 3I51 45C 0.0009083 0.4314 3.10078
166 2P69 PLP 0.003521 0.42946 3.10078
167 4E28 0MZ 0.003685 0.4286 3.10078
168 4LIT AKG 0.005134 0.42235 3.10078
169 4N02 FNR 0.003748 0.41896 3.10078
170 1KTC NGA 0.005046 0.41724 3.10078
171 4E28 9MZ 0.01145 0.41253 3.10078
172 1UBY DMA 0.001391 0.41064 3.10078
173 2DVZ GLU 0.00419 0.41061 3.10078
174 3ROE THM 0.01625 0.4092 3.10078
175 2BP1 FLC 0.02982 0.40285 3.10078
176 1VQ2 DDN 0.0002821 0.43489 3.10881
177 2JBH 5GP 0.002609 0.4238 3.11111
178 1T0I FMN 0.0001825 0.43656 3.14136
179 1Y1A GSH 0.0001296 0.56857 3.27869
180 2Q37 3AL 0.0005659 0.46386 3.31492
181 1NF8 BOG 0.0106 0.43174 3.38164
182 1NF8 ISC 0.003536 0.40888 3.38164
183 3S9K CIT 0.01059 0.44507 3.38983
184 4Q3F TLA 0.007236 0.42151 3.4188
185 2Y6P CTP 0.003762 0.41246 3.4188
186 4EXO PYR 0.0001664 0.51366 3.42466
187 4OB1 BUB 0.02527 0.40225 3.43348
188 4W6Z ETF 0.001979 0.47019 3.48837
189 1PX8 XYP 0.0007145 0.45947 3.48837
190 2YIV YIV 0.002611 0.45581 3.48837
191 2YIV NBN 0.001974 0.45394 3.48837
192 3BLI PYR 0.002955 0.44577 3.48837
193 4CCN OGA 0.003945 0.43336 3.48837
194 2YBQ SAH 0.000169 0.43295 3.48837
195 1RZM E4P 0.006418 0.43006 3.48837
196 1YBH P22 0.001538 0.42773 3.48837
197 2CW6 3HG 0.01506 0.42563 3.48837
198 2P41 G1G 0.01369 0.41743 3.48837
199 3ZPG 5GP 0.02492 0.41448 3.48837
200 3LIH RAF 0.0009058 0.41288 3.48837
201 3IB9 BTN 0.02003 0.4098 3.48837
202 1V7W NDG 0.003513 0.40899 3.48837
203 1V7W NAG 0.003513 0.40899 3.48837
204 1A8S PPI 0.005701 0.40312 3.48837
205 4CCO OGA 0.02767 0.4016 3.48837
206 3UIE ADX 0.001658 0.4167 3.5
207 1Y2W NAG 0.00566 0.42631 3.52113
208 2OCI TYC 0.02883 0.40188 3.54331
209 4JHG ZEA 0.001238 0.41679 3.57143
210 3GD8 BOG 0.02249 0.41035 3.58744
211 3DCM SAM 0.001534 0.40121 3.64583
212 2PYU IMP 0.003559 0.42926 3.65297
213 1R5A GTS 0.005223 0.41156 3.66972
214 3WUD GLC GAL 0.006639 0.43616 3.67647
215 1PR9 NAP 0.003332 0.40302 3.68852
216 1DTL BEP 0.005115 0.42522 3.72671
217 1HFS L04 0.00001088 0.41181 3.75
218 1A5V Y3 0.01585 0.40106 3.79747
219 3N5O GSH 0.0002592 0.43137 3.82979
220 3UBW 6SP 0.0005808 0.52526 3.87597
221 1HFA PIO 0.003407 0.46683 3.87597
222 1YC4 43P 0.001596 0.4493 3.87597
223 3E5P PPI 0.03351 0.44089 3.87597
224 4RJK PYR 0.007108 0.43472 3.87597
225 1WTC ACP 0.005243 0.43416 3.87597
226 3H22 B53 0.001145 0.43277 3.87597
227 1WNG SAH 0.0001983 0.43065 3.87597
228 1CKM GTP 0.001864 0.42973 3.87597
229 3K5X P8D 0.001573 0.42735 3.87597
230 1CKN GTP 0.002625 0.4237 3.87597
231 2NZU BG6 0.004232 0.42044 3.87597
232 3MD0 GDP 0.004391 0.41463 3.87597
233 1U6R IOM 0.02042 0.41323 3.87597
234 1FP2 SAH 0.002331 0.41122 3.87597
235 1YAG ATP 0.001175 0.40496 3.87597
236 4MRP GSH 0.0145 0.40317 3.87597
237 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.0341 0.40133 3.87597
238 1FP2 HMO 0.003382 0.40108 3.87597
239 1U5R ATP 0.003418 0.40091 3.87597
240 4RJK TPP 0.0001449 0.40006 3.87597
241 3KYF 5GP 5GP 0.00679 0.40236 3.8961
242 1YFZ IMP 0.008234 0.41344 3.90244
243 3KP6 SAL 0.01276 0.42786 3.97351
244 1ULE GLA GAL NAG 0.001224 0.47173 4
245 2HJ3 FAD 0.00009168 0.43698 4
246 2OYS FMN 0.0003975 0.41643 4.13223
247 3RK0 AMP 0.004604 0.40451 4.21941
248 1Y75 NAG 0.001005 0.44061 4.23729
249 2YD6 FLC 0.006903 0.46681 4.24528
250 3I7S PYR 0.001484 0.46769 4.26357
251 4ME6 ADP 0.0009795 0.45354 4.26357
252 2R00 OEG 0.002574 0.44856 4.26357
253 3O2K QRP 0.0008336 0.43819 4.26357
254 1GSA ADP 0.00006472 0.43569 4.26357
255 3UDG TMP 0.00955 0.43565 4.26357
256 4IHQ ADP 0.00188 0.42958 4.26357
257 4F8L GAL 0.0264 0.42814 4.26357
258 1A59 CIT 0.01014 0.42079 4.26357
259 1C7S CBS 0.002221 0.41659 4.26357
260 3CF6 SP1 0.001417 0.41468 4.26357
261 1R37 NAD 0.001884 0.41283 4.26357
262 3WCA FPS 0.005734 0.41178 4.26357
263 2JHP GUN 0.006765 0.41025 4.26357
264 2BLE 5GP 0.008515 0.41007 4.26357
265 2BII MTV 0.0005835 0.40105 4.26357
266 3B6C SDN 0.007058 0.43226 4.2735
267 4BI7 PGA 0.004456 0.41436 4.28016
268 2XI7 XI7 0.002552 0.48451 4.34783
269 1QR0 COA 0.003487 0.41375 4.38596
270 3GM5 CIT 0.00151 0.45209 4.40252
271 3ACC 5GP 0.002174 0.42701 4.41989
272 2QGI UDP 0.003059 0.43211 4.43548
273 2VQ5 HBA 0.006358 0.43026 4.47761
274 2VQ5 LDP 0.02717 0.41257 4.47761
275 3P9T TCL 0.007174 0.42249 4.56621
276 1DL7 NCH 0.005594 0.46564 4.58716
277 4JP3 CIT 0.003067 0.41124 4.60251
278 3TKA CTN 0.001982 0.50757 4.65116
279 2BO4 FLC 0.0003371 0.48967 4.65116
280 3CL5 SIO 0.001315 0.46215 4.65116
281 1O68 KIV 0.0005647 0.4571 4.65116
282 2ZJF BSU 0.00245 0.41978 4.65116
283 2F2U M77 0.002698 0.41814 4.65116
284 4G1V FAD 0.0007061 0.4174 4.65116
285 3PC3 P1T 0.0004424 0.41493 4.65116
286 1E2S CSN 0.002073 0.41311 4.65116
287 2R42 FPS 0.0007174 0.41215 4.65116
288 3K3G MMU 0.009412 0.40834 4.65116
289 2Q97 ATP 0.0008875 0.4071 4.65116
290 4LXH C1E 0.001793 0.40679 4.65116
291 1TV5 N8E 0.02601 0.403 4.65116
292 1MZV AMP 0.0006809 0.44164 4.68085
293 5FIT AP2 0.002015 0.4182 4.7619
294 4INB 1F6 0.00004586 0.45171 4.79452
295 1Q3A NGH 0.02467 0.40006 4.84848
296 1VR0 3SL 0.000416 0.45614 4.8583
297 2AZ3 CDP 0.003678 0.423 4.87805
298 3T2W BTN 0.0005805 0.44436 4.91803
299 2WCJ M21 0.003987 0.40267 4.96454
300 4A6F SEP 0.01593 0.43189 5
301 3KYQ DPV 0.005002 0.43995 5.02513
302 1KC7 PPR 0.0003833 0.48707 5.03876
303 3O03 GCO 0.002894 0.46187 5.03876
304 1Y42 TYR 0.0005171 0.4587 5.03876
305 2PUL ACP 0.0001182 0.45348 5.03876
306 3U1T MLI 0.002074 0.45294 5.03876
307 4JRB PGT 0.000548 0.43976 5.03876
308 3L6R MLI 0.004654 0.43658 5.03876
309 4KCT PYR 0.001481 0.43378 5.03876
310 3IB8 AMP 0.001025 0.42443 5.03876
311 2RHQ GAX 0.0002666 0.41607 5.03876
312 1E5F PLP 0.001629 0.4125 5.03876
313 2QJN KDG 0.002409 0.41069 5.03876
314 3D3H M4O 0.001834 0.41065 5.03876
315 1H0C AOA 0.02326 0.40387 5.03876
316 2Y7G AAE 0.002833 0.40385 5.03876
317 3TFC PEP 0.01222 0.40109 5.03876
318 3NCQ ATP 0.0005849 0.41102 5.04202
319 3EW2 BTN 0.002402 0.42526 5.18518
320 2YDW WSH 0.0003138 0.45486 5.22876
321 3PMD 11A 0.0003531 0.45284 5.22876
322 4JEJ 1GP 0.0038 0.40769 5.32787
323 1OGD RIP 0.0004738 0.46029 5.34351
324 4KCF FMN 0.000287 0.45047 5.42636
325 3BK2 U5P 0.0003602 0.44671 5.42636
326 1PFK ADP 0.0003106 0.43839 5.42636
327 2JFV FLC 0.003311 0.43678 5.42636
328 3B99 U51 0.005146 0.4251 5.42636
329 1ZED PNP 0.00871 0.42387 5.42636
330 3Q8G PEE 0.01222 0.41881 5.42636
331 1OMZ UD2 0.002781 0.41667 5.42636
332 1JIL 485 0.0005294 0.41652 5.42636
333 1K6M AGS 0.0005491 0.4119 5.42636
334 3RKR NAP 0.004621 0.40894 5.42636
335 1BUC CAA 0.0002709 0.40601 5.42636
336 2OKK ABU 0.02824 0.40551 5.42636
337 3ZS7 ATP 0.0006417 0.40516 5.42636
338 3RLF MAL 0.02247 0.4021 5.42636
339 3ZUY TCH 0.007456 0.40075 5.42636
340 4BT5 23B 0.001103 0.43898 5.44747
341 1NME 159 0.005074 0.44955 5.47945
342 1Q6O LG6 0.0006087 0.42788 5.55556
343 2W3L DRO 0.01231 0.42169 5.55556
344 3QQA TCH 0.0003501 0.41231 5.55556
345 3K0T BGC 0.02717 0.40717 5.59441
346 3RV5 DXC 0.006045 0.40537 5.61798
347 2OFD NGA 0.00324 0.4372 5.6338
348 2OFE NAG 0.003627 0.435 5.6338
349 3O7B SAH 0.0008035 0.41465 5.7377
350 1QY1 PRZ 0.000002638 0.4867 5.74713
351 1GJW GLC 0.000124 0.50988 5.81395
352 4M51 BEZ 0.001117 0.47366 5.81395
353 1Q11 TYE 0.0003011 0.46853 5.81395
354 1NX4 AKG 0.000751 0.45854 5.81395
355 1YHM AHD 0.0008759 0.45564 5.81395
356 1AUA BOG 0.0008359 0.44996 5.81395
357 3ZGE ASP 0.005003 0.44212 5.81395
358 1UF5 CDT 0.001411 0.4292 5.81395
359 3A1I UNU 0.001542 0.42769 5.81395
360 4C6F NCD 0.001726 0.42576 5.81395
361 4C6F DOR 0.001726 0.42576 5.81395
362 1Y7I SAL 0.003872 0.42206 5.81395
363 4NAO AKG 0.01086 0.41939 5.81395
364 1SQ5 PAU 0.007014 0.41123 5.81395
365 1GJW MAL 0.004347 0.40998 5.81395
366 2JC9 ADN 0.02819 0.40118 5.81395
367 4LKK SIA GAL 0.0003675 0.42621 5.95238
368 1W7J ADP BEF 0.001098 0.41424 5.96026
369 5DRN 5CT 0.04216 0.40595 6.04651
370 3E81 SLB 0.0003164 0.4748 6.09756
371 3CQ5 PMP 0.0004367 0.45529 6.20155
372 2B7N NTM 0.001259 0.44882 6.20155
373 3LTW HLZ 0.003983 0.43317 6.20155
374 1V6A TRE 0.003413 0.43004 6.20155
375 9LDB OXM 0.01807 0.42898 6.20155
376 9LDT OXM 0.02742 0.41932 6.20155
377 1VJO PLP 0.002261 0.40738 6.20155
378 4UAL 3FV 0.00229 0.40307 6.20155
379 3BHO B4P 0.01106 0.44029 6.25
380 1Y8O ADP 0.002746 0.41783 6.25
381 1YOA FMN 0.02447 0.42999 6.28931
382 1B74 DGN 0.0006054 0.48653 6.29921
383 2IUW AKG 0.0004736 0.45386 6.30252
384 1TW4 CHD 0.01645 0.401 6.4
385 1MQ0 BRD 0.001953 0.41407 6.42857
386 2QLX RM4 0.002119 0.4525 6.48148
387 1Y0L HAN 0.03201 0.41223 6.48148
388 2OI2 DP6 0.002054 0.41789 6.50685
389 2Q8H TF4 0.007472 0.43169 6.58915
390 2G36 TRP 0.003137 0.43163 6.58915
391 2ZWS PLM 0.02495 0.42951 6.58915
392 2CE7 ADP 0.001122 0.42298 6.58915
393 3HP9 CF1 0.02849 0.40896 6.58915
394 3GJB AKG 0.006931 0.40657 6.58915
395 2ZO9 MLI 0.004786 0.40607 6.58915
396 2I4O ATP 0.005603 0.40564 6.58915
397 2Q2Y ADP 0.01501 0.40365 6.58915
398 2Q2Y MKR 0.01427 0.40365 6.58915
399 2YVF FAD 0.01326 0.40346 6.58915
400 2YVF NAD 0.01597 0.40104 6.58915
401 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.01156 0.42594 6.69456
402 1JAC AMG 0.005549 0.45614 6.76692
403 3DGB MUC 0.0007851 0.43381 6.80628
404 2VDJ HSE 0.001356 0.46959 6.97674
405 3CEV ARG 0.001037 0.44006 6.97674
406 3UER TUR 0.0008374 0.43274 6.97674
407 3UER BTU 0.0008374 0.43274 6.97674
408 1I0Z OXM 0.01467 0.4262 6.97674
409 4AMV F6R 0.0009747 0.42053 6.97674
410 3DER ALA LYS 0.0006836 0.40883 6.97674
411 1C7R PA5 0.00503 0.40749 6.97674
412 4HA6 PXM 0.01233 0.4058 6.97674
413 2ZJ3 G6P 0.0007616 0.40348 6.97674
414 1RQH PYR 0.02224 0.40189 6.97674
415 1XMY ROL 0.0241 0.40057 6.97674
416 2YLD CMO 0.005451 0.4446 7.08661
417 4K7O EKZ 0.01844 0.40861 7.14286
418 1JN2 SFP 0.01369 0.46879 7.173
419 2VPR TDC 0.001866 0.41038 7.24638
420 1Q3P GLU ALA GLN THR ARG LEU 0.001318 0.41581 7.33945
421 3B8I OXL 0.005774 0.45522 7.36434
422 2ZE3 AKG 0.001494 0.44559 7.36434
423 1A05 IPM 0.01668 0.41578 7.36434
424 1J78 OLA 0.01113 0.41458 7.36434
425 1T3D CYS 0.01795 0.40917 7.36434
426 4C2G ALA ALA ALA ALA 0.007395 0.40542 7.36434
427 1TUV VK3 0.03752 0.40538 7.36434
428 2IU8 PLM 0.02061 0.40361 7.36434
429 2QDT I38 0.003442 0.4008 7.36434
430 3UEC ALA ARG TPO LYS 0.01118 0.4188 7.53425
431 1X92 M7P 0.005837 0.40057 7.53769
432 3SBZ MLI 0.01249 0.42974 7.53968
433 1PEA ACM 0.0003092 0.50065 7.75194
434 2J0W ASP 0.00324 0.44391 7.75194
435 1EB9 HBA 0.001148 0.42752 7.75194
436 2HGS ADP 0.0001822 0.42205 7.75194
437 1TH8 ADP 0.007306 0.4011 7.75862
438 1KHT AMP 0.001597 0.43245 7.8125
439 5RHN 8BR 0.00252 0.40568 7.82609
440 2X2T GAL NGA 0.008302 0.43873 7.84314
441 2WCV FUC 0.005518 0.41059 7.85714
442 1XE7 GUN 0.001753 0.47285 7.88177
443 1S8F GDP 0.001444 0.41892 7.9096
444 1LYX PGA 0.001365 0.41983 8.06452
445 3G9E RO7 0.0002381 0.47761 8.13953
446 3SQG COM 0.003653 0.46573 8.13953
447 4HZO COA 0.001541 0.43883 8.13953
448 1XVB 3BR 0.008539 0.41879 8.13953
449 4ARF IP8 GLY PRO ALA 0.001152 0.41792 8.13953
450 1H8G CHT 0.04137 0.41717 8.42105
451 1DB1 VDX 0.00007531 0.49804 8.52713
452 1E7S NAP 0.00141 0.41461 8.52713
453 1V2X SAM 0.001196 0.40479 8.52713
454 3E3U NVC 0.01381 0.40092 8.62944
455 4U9W COA 0.00224 0.40341 8.69565
456 1KYV RBF 0.0008421 0.41827 8.80503
457 1R18 SAH 0.0004022 0.41056 8.81057
458 1I1Q TRP 0.001869 0.42968 8.85417
459 2O66 FLC 0.001358 0.44739 8.88889
460 2NVK NAP 0.001743 0.43659 8.91473
461 5D63 FUC GLA GLA 0.008436 0.41851 8.91473
462 4R33 TRP 0.001434 0.41567 8.91473
463 4R33 SAH 0.001434 0.41567 8.91473
464 3B9Z CO2 0.02255 0.41362 8.91473
465 4PB2 5UD 0.002138 0.40018 8.91473
466 2GBB CIT 0.01085 0.41802 8.97436
467 4NPT 017 0.002759 0.41776 9.09091
468 3EE4 MYR 0.003564 0.40962 9.30233
469 1GU3 BGC BGC BGC BGC BGC 0.005487 0.41571 9.39597
470 4DN8 BMA 0.01933 0.40226 9.61539
471 1E4E ADP 0.0001165 0.44319 9.68992
472 1TZD ADP 0.008735 0.42477 9.68992
473 1E4E PHY 0.0008253 0.42313 9.68992
474 2BZ1 TAU 0.003946 0.47403 9.69388
475 2ALG HP6 0.00006342 0.44215 9.78261
476 2ALG DAO 0.00006342 0.44215 9.78261
477 1SOW OXL 0.004938 0.45014 10.0775
478 3NFZ 3NF 0.002021 0.41815 10.0775
479 3T1A 5MA 0.0008103 0.41453 10.0775
480 1RL4 BL5 0.004509 0.43558 10.1064
481 1WHT BZS 0.00491 0.42908 10.1562
482 3NJQ NJQ 0.02664 0.40246 10.3627
483 3EYK EYK 0.01308 0.40993 10.4651
484 6FIV 3TL 0.00003139 0.48046 10.6195
485 4K30 NLG 0.01196 0.40148 10.625
486 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.01384 0.41272 10.6557
487 4B16 NAG 0.009712 0.44328 10.8527
488 3NNF AKG 0.006876 0.42251 10.8527
489 1WRA PC 0.009812 0.42145 10.8527
490 2ZYF AKG 0.006496 0.40771 10.8527
491 2VWA PTY 0.02414 0.41297 10.8911
492 4DK7 0KS 0.00001396 0.52116 10.9312
493 1H8P PC 0.001104 0.48297 11.0092
494 3JRS A8S 0.008804 0.40281 11.0577
495 1SS4 GSH 0.002406 0.48297 11.2403
496 3HZL 6PC 0.01052 0.43354 11.2403
497 2HEK GDP 0.002352 0.42048 11.2403
498 1MOQ GLP 0.001355 0.40693 11.2403
499 3WBG 2AN 0.008986 0.40593 11.2403
500 3W2W ATP 0.005755 0.4008 11.2403
501 2PRG BRL 0.0001581 0.48037 11.3636
502 3KDJ A8S 0.006833 0.40426 11.3861
503 2JAR UMP 0.0005526 0.42018 11.5
504 1FMB HYB 0.000101 0.46776 11.5385
505 1GPJ CIT 0.001367 0.45402 11.6279
506 2VAR KDG 0.001054 0.42894 11.6279
507 2VAR ANP 0.0001914 0.42667 11.6279
508 2FOI JPA 0.0008671 0.43751 11.6667
509 3WUC GLC GAL 0.00795 0.41967 11.6788
510 1MXI SAH 0.002017 0.40105 11.875
511 2XRH NIO 0.0005626 0.47931 12
512 3KDU NKS 0.00008341 0.50332 12.0155
513 3ET1 ET1 0.0002777 0.46951 12.0155
514 2C2A ADP 0.001569 0.40882 12.0155
515 2P54 735 0.001642 0.40083 12.0155
516 2IYG FMN 0.0001543 0.46074 12.0968
517 3I6B KDO 0.00004192 0.50438 12.2222
518 1F1V DHY 0.007677 0.40476 12.7907
519 1UUY PPI 0.002007 0.46989 13.1737
520 4JCA CIT 0.009629 0.44348 13.1737
521 4M5P MLA 0.003702 0.46542 13.1783
522 3ZRR PXG 0.0002061 0.43009 13.1783
523 4M5P 23W 0.02144 0.41137 13.1783
524 4M5P FMN 0.0009091 0.40484 13.1783
525 1Y9Q MED 0.00028 0.48491 13.5417
526 3MBG FAD 0.00001599 0.43486 13.6691
527 1H2K OGA 0.0007573 0.46553 13.9535
528 3P3N AKG 0.0008183 0.46402 13.9535
529 1HG4 LPP 0.00007439 0.44466 13.9535
530 2XUM OGA 0.002463 0.44254 13.9535
531 1H2M OGA 0.003228 0.43727 13.9535
532 4B7E OGA 0.003905 0.42751 13.9535
533 2GDZ NAD 0.002317 0.40451 13.9535
534 1PTR PRB 0.01961 0.40736 14
535 1YRX FMN 0.0003873 0.43494 14.0496
536 3BPX SAL 0.01826 0.41416 14.1892
537 3U5S FAD 0.000169 0.42842 14.2857
538 3SHR CMP 0.0002466 0.45897 14.3411
539 4DS8 A8S 0.004595 0.4232 14.3411
540 4KGM ATP 0.003561 0.40876 14.6939
541 1XAP TTB 0.00002513 0.50458 14.7287
542 4DM8 REA 0.00003832 0.4842 14.7287
543 1SC3 MLI 0.008658 0.43056 14.7727
544 4GYW UDP 0.0007187 0.42466 15.1163
545 2FYU FDN 0.001023 0.41108 15.3846
546 1C1L GAL BGC 0.001776 0.45607 16.0584
547 1FCZ 156 0.00003728 0.47753 16.1702
548 2Q09 DI6 0.0002564 0.46466 16.2791
549 1V7R CIT 0.003158 0.46906 16.6667
550 4URG C2E 0.01607 0.41726 17.3653
551 4LHM AZZ 0.00207 0.43946 17.4419
552 1VBH PEP 0.0005476 0.46448 18.2171
553 2E1A MSE 0.003726 0.41752 18.6667
554 3GYT DL4 0.0007487 0.42568 18.8525
555 2W8Q SIN 0.002358 0.45034 18.9922
556 1L0I PSR 0.02821 0.40431 20.5128
557 3KO0 TFP 0.007875 0.41981 20.7921
558 4QJR PIZ 0.000005383 0.49414 21.6327
559 3KMR EQN 0.00003674 0.5029 22.093
560 2IZ1 ATR 0.009451 0.41629 22.093
561 3BEJ MUF 0.000004255 0.53397 22.6891
562 1ZDT PEF 0.00001642 0.47744 22.8216
563 3DCT 064 0.000005565 0.49942 22.9787
564 3F8C HT1 0.001118 0.45105 23.0159
565 3RUU 37G 0.000002948 0.48647 23.5808
566 1NRL SRL 0.0007454 0.44195 23.6434
567 1YMT DR9 0.000009202 0.53066 23.9837
568 2PFC PLM 0.0008606 0.43229 24.0437
569 3PMA SCR 0.009716 0.40528 24.1379
570 1YP0 PEF 0.00002697 0.48978 24.2678
571 1FBY REA 0.000004457 0.51557 26.3598
572 1FM9 9CR 0.000001097 0.56244 26.4706
573 1DKF OLA 0.000005447 0.55908 27.0386
574 1DKF BMS 0.000003289 0.52679 27.0386
575 4POJ 2VP 0.000000218 0.56529 27.2727
576 4M8E 29V 0.00156 0.45144 27.2727
577 3H0A 9RA 0.000000817 0.5747 27.6316
578 1YUC EPH 0.000009571 0.49162 28.2353
579 1ZDU P3A 0.0000793 0.44933 28.9796
580 4UY1 TJM 0.0242 0.41858 29.0076
581 1PZL MYR 0.00001005 0.53349 29.5359
582 3FS1 MYR 0.0000102 0.53964 30.4348
583 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.01012 0.42769 30.4348
584 1XIU REA 0.000002414 0.56098 31.7391
585 1YYE 196 0.0000000005331 0.74519 31.7829
586 3IPQ 965 0.000008505 0.46353 32.5581
587 1G2N EPH 0.0004518 0.43363 32.5581
588 2I0G I0G 0.000000004622 0.71226 33.463
589 1U3R 338 0.00003179 0.54844 34.0249
590 2E2R 2OH 0.00000000004322 0.58854 34.8361
591 1NML CIT 0.003136 0.4259 38.4615
592 2GWD GLU 0.004219 0.41533 38.4615
593 2V7T SAH 0.02787 0.40323 38.4615
594 4CFS HQD 0.01699 0.40032 38.4615
595 2QA8 GEN 0.000000001337 0.72665 40.6977
596 2QZO KN1 0.000000008965 0.65982 40.6977
597 2BJ4 OHT 0.000000002475 0.67501 41.6667
598 3UUD EST 0.0000000001404 0.77209 41.8327
599 3UUA 0CZ 0.000000001473 0.74823 41.8327
600 3UU7 2OH 0.000000009925 0.73243 41.8327
601 1NOW IFG 0.003398 0.43013 46.1538
602 1R6W 164 0.001796 0.41098 46.1538
603 1NP0 NGT 0.01918 0.4024 46.1538
Pocket No.: 3; Query (leader) PDB : 4LSJ; Ligand: LSJ; 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: 4lsj.bio2) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4LSJ; Ligand: LSJ; Similar sites found: 38
This union binding pocket(no: 4) in the query (biounit: 4lsj.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5V4R MGT 0.01837 0.40712 None
2 5J32 IPM 0.02472 0.40664 1.55039
3 3RET SAL 0.01071 0.40608 1.9802
4 5N17 8FK 0.024 0.40531 2.17391
5 4RQL SNE 0.01692 0.40831 3.10078
6 4RW3 TDA 0.002634 0.40223 3.10078
7 4OIC A8S 0.008469 0.4071 3.21199
8 5MWE TCE 0.01525 0.41502 3.7037
9 5F2T PLM 0.008647 0.40669 3.87597
10 3KC1 2T6 0.006424 0.40542 3.87597
11 5UGW GSH 0.002224 0.4309 4
12 5EY0 GTP 0.006687 0.42398 4.26357
13 5CHR 4NC 0.01416 0.42009 4.37956
14 5CKS GAL 0.0126 0.415 4.65116
15 5MOB A8S 0.01203 0.41151 5.60345
16 1XZ3 ICF 0.0042 0.44532 5.74713
17 2D09 FLV 0.01525 0.4106 5.81395
18 4WPF 3SN 0.002498 0.40017 6.58915
19 5TVI MYR 0.008016 0.41789 7.6087
20 3ET3 ET1 0.00009594 0.47983 8.13953
21 3T03 3T0 0.0005977 0.41737 8.13953
22 4HEE 14R 0.004979 0.40683 8.13953
23 5N18 8HZ 0.01262 0.41772 11.0092
24 5C9J DAO 0.01393 0.40839 11.2403
25 5HWK BEZ 0.0241 0.40135 11.6279
26 3FEI CTM 0.002487 0.4054 12.0155
27 5OCA 9QZ 0.003236 0.47204 13.4921
28 2LBD REA 0.00003889 0.4702 14.7287
29 5L8N 6RQ 0.0283 0.40318 14.8438
30 4RJD TFP 0.007188 0.43185 15.1515
31 5HZ9 5M8 0.00324 0.41837 21.4815
32 1YOK P6L 0.000000711 0.46395 22.2656
33 5UNJ RJW 0.00002482 0.52212 23.2653
34 5ICK FEZ 0.00004921 0.49739 23.5808
35 1M13 HYF 0.0002878 0.41296 23.6434
36 5AAV GW5 0.00000009871 0.41181 42.0635
37 2QE4 JJ3 0.00000001396 0.43693 42.7419
38 4URX FK1 0.005265 0.44362 46.1538
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