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Receptor
PDB id Resolution Class Description Source Keywords
3MNP 1.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE AGONIST FORM OF MOUSE GLUCOCORTICOI STABILIZED BY (A611V, V708A, E711G) MUTATIONS AT 1.50A MUS MUSCULUS PROTEIN-LIGAND COMPLEX STEROID NUCLEAR RECEPTOR MOUSE GR CO-ACTIVATOR HORMONE RECEPTOR
Ref.: ENHANCING THE STABILITY AND SOLUBILITY OF THE GLUCO RECEPTOR LIGAND-BINDING DOMAIN BY HIGH-THROUGHPUT L SCREENING. J.MOL.BIOL. V. 403 562 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DEX A:784;
Valid;
none;
submit data
392.461 C22 H29 F O5 C[C@@...
GOL A:1;
A:786;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SCN A:785;
A:787;
Invalid;
Invalid;
none;
none;
submit data
58.082 C N S C(#N)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4P6X 2.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF CORTISOL-BOUND GLUCOCORTICOID RECEPTOR BINDING DOMAIN HOMO SAPIENS CORTISOL GLUCOCORTICOID RECEPTOR POTENCY HORMONE-HORMONE COMPLEX HORMONE RECEPTOR-HORMONE ACTIVATOR COMPLEX
Ref.: STRUCTURES AND MECHANISM FOR THE DESIGN OF HIGHLY P GLUCOCORTICOIDS. CELL RES. V. 24 713 2014
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 3K22 - JZS C22 H21 F6 N5 O3 Cc1cc(c2cn....
2 3MNO - DEX C22 H29 F O5 C[C@@H]1C[....
3 3E7C - 866 C23 H21 Cl2 F4 N5 O3 CCN(C[C@@]....
4 4P6X Ki = 91 nM HCY C21 H30 O5 C[C@]12CCC....
5 3MNP - DEX C22 H29 F O5 C[C@@H]1C[....
6 3MNE - DEX C22 H29 F O5 C[C@@H]1C[....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4E2J - MOF C27 H30 Cl2 O6 C[C@@H]1C[....
2 4P6W Ki = 0.7 nM MOF C27 H30 Cl2 O6 C[C@@H]1C[....
3 3K22 - JZS C22 H21 F6 N5 O3 Cc1cc(c2cn....
4 3MNO - DEX C22 H29 F O5 C[C@@H]1C[....
5 3E7C - 866 C23 H21 Cl2 F4 N5 O3 CCN(C[C@@]....
6 4P6X Ki = 91 nM HCY C21 H30 O5 C[C@]12CCC....
7 3MNP - DEX C22 H29 F O5 C[C@@H]1C[....
8 3MNE - DEX C22 H29 F O5 C[C@@H]1C[....
9 4UDC - DEX C22 H29 F O5 C[C@@H]1C[....
10 5NFT - 8W8 C25 H21 F4 N3 O3 C[C@@H]([C....
11 5G5W ic50 = 0.0027 uM R8C C24 H19 F4 N3 O2 C[C@@H]([C....
12 4CSJ ic50 = 4.9 nM NN7 C25 H27 F N4 O2 S Cc1cc(c(c(....
13 6EL7 - B9T C20 H19 Br F2 N4 O2 C[C@@H]([C....
14 5NFP - 8W5 C25 H34 O6 CCC[C@@H]1....
15 4UDD - CV7 C28 H38 O6 C[C@]12C[C....
16 6EL9 ic50 = 3.8 nM B9W C27 H28 F2 N4 O3 CC(C)[C@@H....
17 6EL6 ic50 = 6.3 nM B9Q C26 H25 F N4 O3 C[C@@H]([C....
18 5G3J ic50 = 63 nM E7T C22 H19 F5 N2 O3 CC[C@@H]1C....
50% Homology Family (61)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 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 5MWY Kd = 0.37 uM YNU C24 H30 O6 C[C@]12CCC....
38 5MWP Kd = 0.37 uM ECV C20 H18 F N3 O5 CNC(=O)C[C....
39 1M2Z - DEX C22 H29 F O5 C[C@@H]1C[....
40 3K22 - JZS C22 H21 F6 N5 O3 Cc1cc(c2cn....
41 3MNO - DEX C22 H29 F O5 C[C@@H]1C[....
42 3E7C - 866 C23 H21 Cl2 F4 N5 O3 CCN(C[C@@]....
43 4P6X Ki = 91 nM HCY C21 H30 O5 C[C@]12CCC....
44 3MNP - DEX C22 H29 F O5 C[C@@H]1C[....
45 3MNE - DEX C22 H29 F O5 C[C@@H]1C[....
46 2A3I - C0R C21 H30 O4 C[C@]12CCC....
47 4UDC - DEX C22 H29 F O5 C[C@@H]1C[....
48 5NFT - 8W8 C25 H21 F4 N3 O3 C[C@@H]([C....
49 5G5W ic50 = 0.0027 uM R8C C24 H19 F4 N3 O2 C[C@@H]([C....
50 4CSJ ic50 = 4.9 nM NN7 C25 H27 F N4 O2 S Cc1cc(c(c(....
51 6EL7 - B9T C20 H19 Br F2 N4 O2 C[C@@H]([C....
52 5NFP - 8W5 C25 H34 O6 CCC[C@@H]1....
53 4UDD - CV7 C28 H38 O6 C[C@]12C[C....
54 6EL9 ic50 = 3.8 nM B9W C27 H28 F2 N4 O3 CC(C)[C@@H....
55 6EL6 ic50 = 6.3 nM B9Q C26 H25 F N4 O3 C[C@@H]([C....
56 5G3J ic50 = 63 nM E7T C22 H19 F5 N2 O3 CC[C@@H]1C....
57 3GN8 - DEX C22 H29 F O5 C[C@@H]1C[....
58 2OVH ic50 = 1 nM AS0 C28 H35 N O4 C[C@]12C[C....
59 4OAR ic50 = 0.038 nM 2S0 C30 H37 N O4 CC(=O)[C@]....
60 4LSJ ic50 = 4.38 nM LSJ C25 H25 N O4 S CC/C(=C/1c....
61 3BQD - DAY C30 H36 N2 O4 C[C@@H]1C[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DEX; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 DEX 1 1
2 3T5 0.776471 0.793103
3 1TA 0.6 0.836364
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4P6X; Ligand: HCY; Similar sites found with APoc: 273
This union binding pocket(no: 1) in the query (biounit: 4p6x.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1MID LAP None
2 2WOR 2AN None
3 5NNT DPV None
4 2ALG DAO None
5 5FUS DAO None
6 5UGW GSH None
7 1UO5 PIH None
8 4V1F BQ1 None
9 1NU4 MLA None
10 4BVM PLM None
11 1EX7 5GP None
12 1UO4 PIH None
13 3BPX SAL None
14 5V4R MGT None
15 2QQD AG2 None
16 5N8V KZZ None
17 1MT1 AG2 None
18 1ONI BEZ None
19 1NF8 BOG 0.966184
20 5X13 HC4 1.06383
21 3WDM ADN 1.17647
22 5X3R 7Y3 1.46341
23 6AYH C3G 1.49254
24 1YKD CMP 1.56863
25 2Z9I GLY ALA THR VAL 1.56863
26 6D28 NEC 1.56863
27 5J32 IPM 1.56863
28 4AIA ADK 1.59574
29 3S0E EOL 1.68067
30 5M37 9SZ 1.73913
31 5M36 9SZ 1.74672
32 6A56 LAT 1.82927
33 3TL1 JRO 1.88679
34 3O01 DXC 1.96078
35 3ZQE DXC 1.96078
36 1ZED PNP 1.96078
37 3B99 U51 1.96078
38 5CKS GAL 1.96078
39 4IA6 EIC 1.96078
40 3RET SAL 1.9802
41 3RET PYR 1.9802
42 1SBR VIB 2
43 6AYI C3G 2.01005
44 3AQT RCO 2.04082
45 5N17 8FK 2.17391
46 3V66 D3A 2.35294
47 2XN3 ID8 2.35294
48 4XNV BUR 2.35294
49 1VAY AZA 2.35294
50 1NE7 16G 2.35294
51 4OOE FOM 2.35294
52 1XON PIL 2.35294
53 1R6N 434 2.36967
54 4K7O EKZ 2.38095
55 5X80 SAL 2.5
56 2QZT PLM 2.7027
57 2D5X L35 2.73973
58 4DXJ 0M9 2.7451
59 4RQL SNE 2.7451
60 1FX8 BOG 2.7451
61 2RH1 CLR 2.7451
62 5OLK DTP 2.7451
63 1ZDQ MSM 2.7451
64 2QCX PF1 2.7451
65 4OMJ 2TX 2.7451
66 5XQL C2E 3.13725
67 3H4Z GLC GLC 3.13725
68 4HPP GLU 3.13725
69 4GBD MCF 3.13725
70 3CHT 4NB 3.13725
71 3F8C HT1 3.1746
72 3TDC 0EU 3.52941
73 2UW1 GVM 3.52941
74 4L77 CNL 3.52941
75 3FXU TSU 3.52941
76 3LOO B4P 3.52941
77 2JAP J01 3.64372
78 5MWE TCE 3.7037
79 1DTL BEP 3.72671
80 4O4Z N2O 3.8961
81 3LXI CAM 3.92157
82 2A1L PCW 3.92157
83 1YC4 43P 3.92157
84 2QJY UQ2 3.92157
85 2JHP GUN 3.92157
86 3KP6 SAL 3.97351
87 2WTN FER 3.98406
88 6B5Q PPI CZS 2KY MLY 1XY 4
89 5DCH 1YO 4.16667
90 5Z1N PEF 4.16667
91 1NBU PH2 4.20168
92 5KAU RHQ 4.24242
93 3B6C SDN 4.2735
94 4EKQ NPO 4.27807
95 5A1S FLC 4.31373
96 5EY0 GTP 4.31373
97 3ETG GTP 4.31373
98 4JX1 CAH 4.31373
99 4B7P 9UN 4.34783
100 2YI0 YI0 4.36681
101 5CHR 4NC 4.37956
102 1Q7E MET 4.43925
103 2GBB CIT 4.48718
104 3P9T TCL 4.56621
105 3NJQ NJQ 4.66321
106 2Q8G AZX 4.70588
107 1TV5 N8E 4.70588
108 2XQ0 BES 4.70588
109 3TKY N7I 4.70588
110 1UOU CMU 4.70588
111 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 4.7619
112 2UXI G50 4.7619
113 1Q3A NGH 4.84848
114 4WGF HX2 4.87805
115 1WEI ADE 4.88889
116 3GYT DL4 4.91803
117 3KYQ DPV 5.02513
118 3F8D FAD 5.09804
119 3D9F FAD 5.09804
120 3D9F N6C 5.09804
121 6BR8 6OU 5.15873
122 3PMD 11A 5.22876
123 4K10 NI9 5.4902
124 3HP9 CF1 5.4902
125 3CEV ARG 5.4902
126 2W3L DRO 5.55556
127 5MOB A8S 5.60345
128 1XZ3 ICF 5.74713
129 4UYF 73B 5.84416
130 2JC9 ADN 5.88235
131 5CX6 CDP 5.88235
132 4GNC ASO 5.88235
133 3KC1 2T6 5.88235
134 1UUO FMN 5.88235
135 1UUO ORO 5.88235
136 1UUO BRF 5.88235
137 5UC4 83S 5.90909
138 5EEH P9P 6.11702
139 5AE2 FYC 6.27451
140 1ZPD CIT 6.27451
141 2CHT TSA 6.29921
142 2BCG GER 6.31068
143 3RT4 LP5 6.43275
144 4RPM HXC 6.65025
145 1T0S BML 6.66667
146 5OCA 9QZ 6.91244
147 5CSD ACD 6.91824
148 3AQA BYH 7.03125
149 2O1V ADP 7.05882
150 2YLD CMO 7.08661
151 5W7B MYR 7.0922
152 3WBG 2AN 7.18954
153 5NI5 8YB 7.45098
154 1A05 IPM 7.45098
155 4WPF 3SN 7.45098
156 1J78 OLA 7.45098
157 5LXT GDP 7.45098
158 4QBK 3NZ 7.73196
159 1I06 TZL 7.77778
160 3GZ9 D32 7.84314
161 5OM2 DXT 7.84314
162 5MZI FYK 7.84314
163 2ATJ BHO 7.84314
164 5LIA 6XN 7.84314
165 5HZ9 5M8 8.14815
166 1GHQ NDG 8.20895
167 2P4Y C03 8.23529
168 3G9E RO7 8.23529
169 2HFP NSI 8.23529
170 3ET3 ET1 8.23529
171 2PRG BRL 8.23529
172 4DE3 DN8 8.23529
173 3T03 3T0 8.23529
174 4DDY DN6 8.23529
175 4HEE 14R 8.23529
176 2ZCQ B65 8.23529
177 3B9Z CO2 8.62745
178 5IM3 DTP 8.62745
179 3E3U NVC 8.62944
180 1XVB 3BR 8.82353
181 3NMV PYV 8.98876
182 1ZOY UQ1 9.12698
183 3EE4 MYR 9.41177
184 4OGQ 7PH 9.67742
185 4G86 BNT 9.80392
186 3KO0 TFP 9.90099
187 1RL4 BL5 10.1064
188 1HBK MYR 10.1124
189 1HBK COA 10.1124
190 3KDU NKS 10.1961
191 6CB2 OLC 10.1961
192 3ET1 ET1 10.1961
193 1K7L 544 10.1961
194 2P54 735 10.1961
195 1XMY ROL 10.1961
196 2VWA PTY 10.8911
197 4OR7 25U 10.9091
198 1EWF PC1 10.9804
199 4URX FK1 10.9804
200 6BVK EAV 10.9804
201 6BVM EBV 10.9804
202 5N18 8HZ 11.0092
203 1SQL GUN 11.6438
204 5MTE BB2 11.6788
205 5LNW HG3 11.7647
206 1HDC CBO 11.811
207 5HWK BEZ 12.1569
208 4V2O CLQ 12.1951
209 1N83 CLR 12.549
210 6DIO CIT 13.3333
211 4RJD TFP 13.6364
212 1HG4 LPP 14.1176
213 3G08 FEE 14.1414
214 5N0L ILE 14.4654
215 4JWK CTN 14.5078
216 4DS8 A8S 14.5098
217 2LBD REA 14.902
218 4DM8 REA 14.902
219 1XAP TTB 14.902
220 3R1V AZB 15.748
221 5XNA SHV 15.942
222 1TW4 CHD 16
223 4URG C2E 16.1677
224 1FCZ 156 16.1702
225 2Q2Y MKR 21.4286
226 2Q2Y ADP 21.4286
227 4QJR PIZ 21.6327
228 3BEJ MUF 22.2689
229 3KMR EQN 22.3529
230 1YMT DR9 22.3577
231 3JRS A8S 23.0769
232 4OIV XX9 23.4513
233 1DB1 VDX 23.5294
234 1YUC EPH 23.5294
235 3KDJ A8S 23.7624
236 1M13 HYF 23.9216
237 1NRL SRL 23.9216
238 1YP0 PEF 24.2678
239 5UNJ RJW 24.4898
240 1FM9 9CR 27.3109
241 1FM9 570 27.3109
242 1PZL MYR 27.8481
243 1DKF BMS 27.897
244 1DKF OLA 27.897
245 4M8E 29V 28.1385
246 4POJ 2VP 28.1385
247 3H0A 9RA 28.5088
248 3IPQ 965 28.6219
249 3FS1 MYR 28.6957
250 1YYE 196 31.7647
251 1G2N EPH 32.9412
252 2Y69 CHD 33.7838
253 5W97 CHD 34.2466
254 5Z84 CHD 34.2466
255 5ZCO CHD 34.2466
256 5ZCO PGV 34.2466
257 5Z84 PGV 34.2466
258 5ZCO PEK 34.2466
259 5NM7 GLY 35.7143
260 5FPN KYD 35.7143
261 5U97 PIT 35.7143
262 2QA8 GEN 39.6078
263 2QZO KN1 39.6078
264 2BJ4 OHT 40.0794
265 3UU7 2OH 40.239
266 3UUD EST 40.239
267 3UUA 0CZ 40.239
268 5AAV GW5 40.4762
269 2QE4 JJ3 41.129
270 1U3R 338 42.7386
271 2E2R 2OH 42.8571
272 1RTW MP5 42.8571
273 2I0G I0G 43.9216
274 2HHP FLC 50
275 2HK9 ATR 50
Pocket No.: 2; Query (leader) PDB : 4P6X; Ligand: HCY; Similar sites found with APoc: 65
This union binding pocket(no: 2) in the query (biounit: 4p6x.bio5) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1TUV VK3 None
2 4OAS 2SW None
3 5TVI MYR None
4 1H2B OCA 0.784314
5 3W54 RNB 1.56863
6 6FA4 D1W 2.31214
7 5AZC PGT 2.35294
8 4B6C B5U 2.55102
9 4N4J HG1 2.7451
10 2W5T GP9 2.7451
11 6BMM OLB 2.7451
12 3G5D 1N1 2.7451
13 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 3.13725
14 2BP1 FLC 3.13725
15 4H07 IPH 3.24675
16 2D5Z L35 3.42466
17 4LY9 1YY 3.52941
18 4LY9 S6P 3.52941
19 2HFK E4H 3.52941
20 2WG9 OCA 3.84615
21 4OB1 BUB 3.86266
22 4B1V LAB 3.92157
23 4MRP GSH 3.92157
24 2OZ5 7XY 3.92157
25 4ZW3 4S9 3.92157
26 5UC9 MYR 3.9823
27 3WCA FPS 4.31373
28 5DEY 59T 4.31373
29 5E58 CPZ 4.31373
30 3VV5 SLZ 4.70588
31 4OIC A8S 4.70588
32 4WT2 3UD 4.7619
33 1GNI OLA 5.4902
34 1GEG GLC 5.4902
35 2JFZ 003 5.4902
36 2JFZ DGL 5.4902
37 3DRW AMP 5.88235
38 3L9R L9R 5.88235
39 2D09 FLV 5.88235
40 4ZVV GN0 6.27451
41 4ZVV NAD 6.27451
42 5C9J DAO 6.66667
43 3NB0 G6P 6.66667
44 4BIX ADP 6.66667
45 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 6.69456
46 5OSW DIU 7.05882
47 1QV1 CZH 7.17949
48 3WFD AXO 7.51174
49 2BHW NEX 7.75862
50 5WL1 CUY 8
51 5WL1 D3D 8
52 3B1M KRC 8.23529
53 5UWA 8ND 8.37438
54 3R9C ECL 9.01961
55 4NKW PLO 9.01961
56 2CB8 MYA 9.1954
57 6H8S FSZ 9.80392
58 6BVI EC4 10.9804
59 6BVL EBY 10.9804
60 6BVJ EAS 10.9804
61 1ZNY GDP 11.5942
62 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 11.8852
63 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 28.6957
64 6GMN F4E 29.8077
65 2DYR PGV 34.2466
66 4ARE FLC 50
67 5N26 CPT 50
Pocket No.: 3; Query (leader) PDB : 4P6X; Ligand: HCY; Similar sites found with APoc: 22
This union binding pocket(no: 3) in the query (biounit: 4p6x.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2OHV NHL 1.56863
2 3ZPG 5GP 3.52941
3 6FOF LAT 3.57143
4 4OB0 PBC 3.86266
5 3KAL HGS 3.92157
6 3MN5 LAB 3.92157
7 2J07 FAD 4.31373
8 2J07 HDF 4.31373
9 6F6E PLM 4.70588
10 4OKE AMP 4.7619
11 5B0I BOG 5.53936
12 4MA6 28E 5.73248
13 3L1N PLM 6.18557
14 5AE2 FAD 6.27451
15 1N4H REA 7.45098
16 6AD9 KK4 8.23529
17 5NG7 SER 9.41177
18 4O08 PO6 10.1961
19 2IDO TMP 10.2151
20 3RMK BML 10.5882
21 1X0P FAD 11.8881
22 3D78 NBB 14.2857
Pocket No.: 4; Query (leader) PDB : 4P6X; Ligand: HCY; Similar sites found with APoc: 96
This union binding pocket(no: 4) in the query (biounit: 4p6x.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPE TM3 None
2 1LNX URI None
3 4BVM VCA None
4 3BRN SRO None
5 3Q2H QHF 0.784314
6 2F7A BEZ 1.2931
7 1ID0 ANP 1.31579
8 6BMS POV 1.56863
9 5F5R ANP 1.68067
10 3SQP 3J8 1.96078
11 5OCG 9R5 2.1164
12 3X01 AMP 2.35294
13 2XN5 FUN 2.35294
14 6CGN DA 2.35294
15 5GUE GGS 2.35294
16 4MC3 28U 2.7451
17 4OB6 S2T 2.7451
18 5I8F ML1 3.0303
19 4PYA 2X3 3.10559
20 3GFZ FMN 3.13725
21 1TMX HGX 3.13725
22 3G58 988 3.52941
23 6BR9 PGV 3.52941
24 1I0B PEL 3.52941
25 3CV2 COA 3.52941
26 1A8S PPI 3.52941
27 4IGH FMN 3.52941
28 4IGH ORO 3.52941
29 4IGH 1EA 3.52941
30 5AHS COA 3.52941
31 2EG5 XTS 3.52941
32 5WS9 ATP 3.52941
33 3WQM B29 3.52941
34 3OF1 CMP 3.65854
35 4IBF 1D5 3.87597
36 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.92157
37 4Y1P IPM 3.92157
38 5CXI 5TW 3.94089
39 5MBC FMN 4.31373
40 1UBY DMA 4.31373
41 4RYV ZEA 4.51613
42 4ETZ C2E 4.70588
43 2PX6 DH9 4.70588
44 4JE7 BB2 5.07614
45 1WS1 BB2 5.12821
46 6BR8 PGV 5.15873
47 4DR9 BB2 5.20833
48 4MA7 P2Z 5.26316
49 3RV5 DXC 5.61798
50 1ATL 0QI 5.94059
51 3IA4 MTX 6.17284
52 5K53 STE 6.27451
53 5DNK SAH 6.27451
54 5OFW 9TW 6.27803
55 1Q1Y BB2 6.28272
56 4DOO DAO 6.34146
57 3WUR O4B 6.43275
58 3JUQ AJD 6.48649
59 3JUQ AKD 6.48649
60 5XK9 GST 6.89655
61 4NB5 2JT 7.01754
62 5OSW AE4 7.05882
63 1J78 VDY 7.45098
64 4X8D AVI 7.45098
65 4L1F COS 7.45098
66 5BVT PAM 7.46269
67 3GWL FAD 7.54717
68 2HZL PYR 7.84314
69 4XPL ACO 7.97546
70 1S8G DAO 8.26446
71 5V3Y 5V8 9.01961
72 3GXO MQA 9.01961
73 1PIG GLC GLC 9.01961
74 2WPX ACO 9.01961
75 4BJX 73B 9.15033
76 3G5K BB2 9.28962
77 3B96 MYA 9.41177
78 6FS0 E4W 9.63303
79 4OGQ SQD 9.67742
80 4OGQ 1O2 9.67742
81 5GZZ GSH 10.1961
82 1XMU ROF 10.1961
83 3EYK EYK 10.4651
84 3GWN FAD 10.5263
85 6D56 FVM 10.9804
86 4V3I ASP LEU THR ARG PRO 11.3725
87 4LWU 20U 11.7647
88 1NQ7 ARL 11.8852
89 4RC8 STE 12.1622
90 4I67 G G G RPC 12.6437
91 1XX4 BAM 13.3333
92 5Y02 HBX 14.9533
93 3G4Q MCH 15.0685
94 4YSX E23 15.3846
95 5HCN DAO 19.2157
96 4F4S EFO 34.2105
Pocket No.: 5; Query (leader) PDB : 4P6X; Ligand: HCY; Similar sites found with APoc: 14
This union binding pocket(no: 5) in the query (biounit: 4p6x.bio6) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3R9V DXC 2.35294
2 5XJ7 87O 2.48756
3 3E8T UQ8 2.72727
4 1OLM VTQ 2.7451
5 1ZZ7 S0H 3.0303
6 4I90 CHT 3.13725
7 4XR8 MAL 3.51759
8 4IV9 TSR 3.52941
9 1TUK PGM 4.47761
10 3WIR BGC 5.09804
11 4M3P HCS 6.27451
12 6CEP OXM 7.05882
13 5OHJ 9VE 8.23529
14 5Y02 MXN 14.9533
Pocket No.: 6; Query (leader) PDB : 4P6X; Ligand: HCY; Similar sites found with APoc: 14
This union binding pocket(no: 6) in the query (biounit: 4p6x.bio4) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4XDA ADP 1.56863
2 2CIX CEJ 2.35294
3 1RV1 IMZ 4.70588
4 6EK3 OUL 5.42986
5 1V6A TRE 6.27451
6 5V03 658 6.86275
7 1QIN GIP 7.65027
8 5BYK OAQ 9.01961
9 5BYK A3P 9.01961
10 4OGQ 2WD 9.67742
11 1H0A I3P 13.2911
12 4URN NOV 13.7778
13 5N49 8LW 28.5714
14 2OCI TYC 35.7143
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