Receptor
PDB id Resolution Class Description Source Keywords
4WG0 1.82 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF A TRIDECAMERIC SUPERHELIX HOMO SAPIENS TIF2 CO-ACTIVATOR PEPTIDE ARCIMBOLDO MOLECULAR REPLACEMENTSUPERHELIX GLUCOCORTICOID RECEPTOR TRANSCRIPTION
Ref.: STRUCTURE OF A 13-FOLD SUPERHELIX (ALMOST) DETERMIN FIRST PRINCIPLES. IUCRJ V. 2 177 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CHD F:103;
E:104;
A:103;
J:103;
I:103;
H:103;
D:102;
C:102;
L:103;
G:103;
B:102;
M:103;
K:103;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
408.571 C24 H40 O5 C[C@H...
SO4 E:102;
E:101;
E:103;
D:101;
I:101;
H:102;
F:102;
G:101;
G:102;
A:102;
A:101;
I:102;
J:102;
M:102;
H:101;
C:101;
K:102;
M:101;
L:102;
F:101;
B:101;
K:101;
L:101;
J:101;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WG0 1.82 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF A TRIDECAMERIC SUPERHELIX HOMO SAPIENS TIF2 CO-ACTIVATOR PEPTIDE ARCIMBOLDO MOLECULAR REPLACEMENTSUPERHELIX GLUCOCORTICOID RECEPTOR TRANSCRIPTION
Ref.: STRUCTURE OF A 13-FOLD SUPERHELIX (ALMOST) DETERMIN FIRST PRINCIPLES. IUCRJ V. 2 177 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 4WG0 - CHD C24 H40 O5 C[C@H](CCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 4WG0 - CHD C24 H40 O5 C[C@H](CCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 4WG0 - CHD C24 H40 O5 C[C@H](CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CHD; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 CHD 1 1
2 GCH 0.785714 0.714286
3 DXC 0.609195 1
4 JN3 0.6 1
5 4OA 0.478261 0.972222
6 CHO 0.474747 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WG0; Ligand: CHD; 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: 4wg0.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4WG0; Ligand: CHD; 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: 4wg0.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4WG0; Ligand: CHD; Similar sites found: 225
This union binding pocket(no: 3) in the query (biounit: 4wg0.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LDW IPE 0.001728 0.482 None
2 5DEY 59T 0.001995 0.48189 None
3 5ECP ATP 0.003047 0.47968 None
4 1NP7 FAD 0.001569 0.47529 None
5 4DXJ 0M9 0.003008 0.46912 None
6 4DXJ IPE 0.003352 0.46912 None
7 2QZT PLM 0.002585 0.46809 None
8 4XVX P33 FDA 0.003775 0.46708 None
9 2GU8 796 0.008308 0.45966 None
10 2ZCQ B65 0.007474 0.45866 None
11 3F3E LEU 0.006305 0.45864 None
12 4YV5 SVR 0.02837 0.45721 None
13 5WRE 7TL 0.00335 0.45632 None
14 2CNT COA 0.004891 0.45485 None
15 2B96 ANN 0.003146 0.45439 None
16 4J4H NAI 0.009688 0.45249 None
17 4J4H 1J1 0.009688 0.45249 None
18 1DNP FAD 0.003743 0.45115 None
19 4F97 GDP 0.001114 0.45067 None
20 4I6G FAD 0.003935 0.4499 None
21 5G3N X28 0.005218 0.44817 None
22 3H0A D30 0.005698 0.44789 None
23 2QV6 GTP 0.005074 0.44719 None
24 2DYR PGV 0.01031 0.4471 None
25 3KDU NKS 0.01257 0.4466 None
26 3RV5 DXC 0.00429 0.44594 None
27 2ZSH GA3 0.003277 0.44492 None
28 5JFL NAD 0.006259 0.44467 None
29 2O3Z AI7 0.01165 0.44369 None
30 4E70 N7I 0.008551 0.44357 None
31 3FUR Z12 0.01065 0.44335 None
32 5MWE TCE 0.001544 0.44228 None
33 4UY1 TJM 0.003604 0.44192 None
34 5U98 1KX 0.02285 0.44177 None
35 2OCI TYC 0.002536 0.44147 None
36 3ZQE DXC 0.001714 0.4414 None
37 3CH6 NAP 0.02637 0.44131 None
38 3CH6 311 0.02637 0.44131 None
39 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 0.01172 0.44128 None
40 5B0W 22B 0.007358 0.44121 None
41 1VG0 GER 0.003807 0.44038 None
42 1OQC FAD 0.00508 0.4403 None
43 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.01523 0.44026 None
44 2XXP DSL 0.03354 0.43991 None
45 1HN4 MJI 0.02764 0.43971 None
46 4B6C B5U 0.005277 0.43814 None
47 4WUJ FMN 0.004072 0.43738 None
48 3L1N PLM 0.003525 0.43645 None
49 5U3B 7TD 0.009369 0.43619 None
50 1VR0 3SL 0.003841 0.43508 None
51 5C9J STE 0.005378 0.43505 None
52 4MNS 2AX 0.01975 0.43485 None
53 3LDW ZOL 0.01707 0.43467 None
54 5CSD ACD 0.01024 0.43466 None
55 4DM8 REA 0.008275 0.43452 None
56 1RQJ RIS 0.007787 0.43285 None
57 4OMJ 2TX 0.01129 0.43251 None
58 3Q8G PEE 0.02592 0.4322 None
59 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.01477 0.43186 None
60 4WQ2 3SU 0.007732 0.43126 None
61 1QO8 FAD 0.02196 0.43074 None
62 4QGE 35O 0.006252 0.4297 None
63 3WCA FPS 0.01026 0.42897 None
64 2UUU PL3 0.02619 0.42834 None
65 2R75 01G 0.01214 0.4279 None
66 4F97 VDO 0.00981 0.4279 None
67 2JLB UDM 0.01146 0.42772 None
68 2H7C COA 0.03349 0.42759 None
69 5GPG RAP 0.01253 0.42702 None
70 2PRG BRL 0.006244 0.42684 None
71 5HCY 60D 0.03386 0.42663 None
72 3R5Y F42 0.01371 0.42663 None
73 2VZZ SCA 0.01765 0.42638 None
74 5A89 ADP 0.02694 0.42611 None
75 5A89 FMN 0.02694 0.42611 None
76 4AQL TXC 0.02267 0.42609 None
77 2Z6D FMN 0.007886 0.42589 None
78 3L9R L9R 0.01795 0.42568 None
79 3ET1 ET1 0.01037 0.42544 None
80 3KRO IPE 0.0129 0.4251 None
81 3KRO DST 0.0129 0.4251 None
82 1R5L VIV 0.01152 0.42441 None
83 4ZW9 BGC 0.007638 0.4243 None
84 4ZW9 GLC 0.007638 0.4243 None
85 4COL DTP 0.006958 0.42413 None
86 5N87 N66 0.02136 0.42403 None
87 4NS3 NAD 0.009585 0.42402 None
88 4TWP AXI 0.02862 0.42392 None
89 4MGA 27L 0.003394 0.42387 None
90 5JPH COA 0.01236 0.4237 None
91 5FH7 5XL 0.007739 0.42327 None
92 1KPG 16A 0.01146 0.42286 None
93 3MBG FAD 0.01506 0.42272 None
94 2DYR TGL 0.02359 0.42224 None
95 1MDC PLM 0.01414 0.42216 None
96 4MGD 27N 0.008577 0.42192 None
97 5KLP IHP 0.006 0.4219 None
98 4E5H 0N8 0.0176 0.4218 None
99 4IGH ORO 0.03945 0.42154 None
100 4IGH FMN 0.03945 0.42154 None
101 4IGH 1EA 0.03945 0.42154 None
102 3NT6 COA 0.02771 0.42017 None
103 5K13 6Q7 0.01295 0.42016 None
104 2C6Q NDP 0.03434 0.42008 None
105 2OFV 242 0.02233 0.41995 None
106 2X5W K2B 0.01313 0.41935 None
107 4OKZ 3E9 0.01062 0.41902 None
108 5MW4 5JU 0.01651 0.4189 None
109 3NTD COA 0.03027 0.41883 None
110 1LN1 DLP 0.0199 0.41878 None
111 3OKA GDD 0.008651 0.41833 None
112 4NKW PLO 0.01204 0.41825 None
113 5UR1 YY9 0.03861 0.41769 None
114 5F2K SAH 0.02134 0.41754 None
115 5F2K OCA 0.02134 0.41754 None
116 4R81 FMN 0.01705 0.41747 None
117 1BOB ACO 0.02085 0.41725 None
118 2VG1 FPP 0.01937 0.4172 None
119 1N20 3AG 0.01879 0.41709 None
120 5K7K 6RJ 0.0216 0.41709 None
121 4RW3 PLM 0.01388 0.41691 None
122 2ALG HP6 0.01091 0.41688 None
123 2ALG DAO 0.01091 0.41688 None
124 1YDK GTX 0.02835 0.41668 None
125 1N6B DMZ 0.01013 0.41659 None
126 5EHR 5OD 0.01103 0.41653 None
127 4BQS ADP 0.02776 0.41623 None
128 4BQS K2Q 0.02776 0.41623 None
129 5W3Y IHP 0.006325 0.41608 None
130 3FAP ARD 0.01743 0.41582 None
131 3H78 BE2 0.02497 0.41548 None
132 1SR7 MOF 0.01961 0.41512 None
133 5APK 76E 0.01852 0.41504 None
134 2HU5 GLY PHE 0.01213 0.41503 None
135 1YRO UDP 0.005725 0.41503 None
136 4H07 IPH 0.02339 0.415 None
137 5X40 ACP 0.01836 0.41471 None
138 2E9L PLM 0.03586 0.41458 None
139 2HJ3 FAD 0.01803 0.41435 None
140 5W97 CHD 0.005156 0.41428 None
141 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 0.03952 0.41423 None
142 2QQC AG2 0.007171 0.41416 None
143 3UUA 0CZ 0.009569 0.4141 None
144 5L92 C0R 0.023 0.41364 None
145 4E90 7RG 0.01569 0.4134 None
146 2QZZ NAP 0.04765 0.41334 None
147 2QZZ EMF 0.04934 0.41334 None
148 5D59 78M 0.04555 0.41309 None
149 1YKD CMP 0.01243 0.41263 None
150 4V3I ASP LEU THR ARG PRO 0.003531 0.41256 None
151 2J07 HDF 0.04031 0.41255 None
152 2J07 FAD 0.04031 0.41255 None
153 4TV1 36M 0.008599 0.4119 None
154 4R38 RBF 0.01096 0.41187 None
155 3A51 VDY 0.0181 0.41158 None
156 3RGA ILD 0.02376 0.4108 None
157 1KPH 10A 0.01724 0.41073 None
158 5V3Y 5V8 0.009831 0.41048 None
159 2FP2 TSA 0.01584 0.41046 None
160 4AZP A9M 0.02434 0.41027 None
161 4NB5 2JT 0.02248 0.41024 None
162 2Z77 HE7 0.02497 0.41006 None
163 2R40 20E 0.02789 0.40924 None
164 3GGO NAI 0.04579 0.40912 None
165 3GGO ENO 0.04579 0.40912 None
166 5EOB 5QQ 0.04256 0.40898 None
167 5G5G MCN 0.04091 0.40855 None
168 4UCC ZKW 0.009551 0.40826 None
169 5B4B LP5 0.03952 0.40767 None
170 4ITM ATP 0.01942 0.40762 None
171 2O5L MNR 0.01866 0.40738 None
172 3HRD MCN 0.04131 0.40708 None
173 1IZE IVA VAL VAL STA ALA STA 0.02286 0.40702 None
174 4BR5 ANP 0.02882 0.40685 None
175 3LLI FAD 0.03183 0.40652 None
176 4MRP GSH 0.005953 0.40642 None
177 5DX3 EST 0.01531 0.40631 None
178 1XMU ROF 0.01921 0.40614 None
179 5FL5 82E 0.01913 0.40595 None
180 4XB4 45D 0.03153 0.40563 None
181 2QM9 TDZ 0.02493 0.4056 None
182 3M6P BB2 0.02057 0.40557 None
183 1O6U PLM 0.0166 0.40524 None
184 3OLL EST 0.01224 0.4051 None
185 2FV5 541 0.03231 0.40498 None
186 2NNQ T4B 0.04027 0.40495 None
187 4FAI PBD 0.01081 0.40474 None
188 5L7G 6QE 0.01993 0.40463 None
189 2XFH CL6 0.02883 0.40444 None
190 1YYE 196 0.01797 0.40427 None
191 2IV3 UDP 0.02376 0.40407 None
192 4QWT ACD 0.02815 0.40404 None
193 4XVX P6G FDA 0.04081 0.4038 None
194 3WHB DCC 0.041 0.40359 None
195 4OKS 2T9 0.01798 0.40357 None
196 1TIQ COA 0.01755 0.40351 None
197 5NTW 98N 0.03832 0.40301 None
198 3KYO LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.03494 0.40296 None
199 4G6I RS3 0.03201 0.40292 None
200 1U3D FAD 0.02994 0.40271 None
201 4CZG QH3 0.03747 0.40261 None
202 3QKD HI0 0.02528 0.40235 None
203 3KJD 78P 0.03303 0.40219 None
204 1RL4 BRR 0.01429 0.402 None
205 3MTW M3R 0.01704 0.4019 None
206 4ZOM 4Q3 0.04607 0.4017 None
207 1ELW GLY PRO THR ILE GLU GLU VAL ASP 0.01796 0.40159 None
208 5DKK FMN 0.02311 0.40155 None
209 4A2B AGS 0.0273 0.40155 None
210 2Z3U CRR 0.03722 0.40152 None
211 2YJD YJD 0.01377 0.40152 None
212 2EW5 Y12 0.02965 0.40148 None
213 1MT1 AG2 0.01156 0.4014 None
214 3PDT ADP 0.02051 0.40124 None
215 2FXD DR7 0.03966 0.40094 None
216 4U63 FAD 0.0312 0.40087 None
217 5MIL DUP 0.01594 0.40081 None
218 1LOX RS7 0.01871 0.40078 None
219 1HFE CYS 0.01131 0.40073 None
220 3ZO7 K6H 0.01712 0.40066 None
221 1VLH PNS 0.02632 0.40021 None
222 4MG9 27K 0.01578 0.4002 None
223 5BU3 4W9 0.03849 0.40014 None
224 2RHO GSP 0.03463 0.40008 None
225 5TO8 7FM 0.01218 0.44611 46.6667
Pocket No.: 4; Query (leader) PDB : 4WG0; Ligand: CHD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4wg0.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4WG0; Ligand: CHD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4wg0.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4WG0; Ligand: CHD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4wg0.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4WG0; Ligand: CHD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4wg0.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4WG0; Ligand: CHD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4wg0.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4WG0; Ligand: CHD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4wg0.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4WG0; Ligand: CHD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4wg0.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4WG0; Ligand: CHD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4wg0.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4WG0; Ligand: CHD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4wg0.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4WG0; Ligand: CHD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 4wg0.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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