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 263 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 (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 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 5G5W ic50 = 0.0027 uM R8C C24 H19 F4 N3 O2 C[C@@H]([C....
11 4CSJ ic50 = 4.9 nM NN7 C25 H27 F N4 O2 S Cc1cc(c(c(....
12 4UDD - CV7 C28 H38 O6 C[C@]12C[C....
13 5G3J ic50 = 63 nM E7T C22 H19 F5 N2 O3 CC[C@@H]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: 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: 155
This union binding pocket(no: 1) in the query (biounit: 4p6x.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WOR 2AN 0.006487 0.4388 None
2 2ALG DAO 0.006973 0.43159 None
3 5FUS DAO 0.005394 0.42231 None
4 5UGW GSH 0.002651 0.4202 None
5 1UO5 PIH 0.006207 0.41999 None
6 1EX7 5GP 0.0151 0.41354 None
7 1UO4 PIH 0.007372 0.41287 None
8 3BPX SAL 0.01844 0.41195 None
9 5V4R MGT 0.01444 0.41053 None
10 4BVM PLM 0.00335 0.40714 None
11 2QQD AG2 0.02525 0.40203 None
12 5N8V KZZ 0.02173 0.40119 None
13 1NF8 BOG 0.001261 0.47795 0.966184
14 1QY8 RDI 0.003477 0.42283 1.56863
15 1YKD CMP 0.004529 0.41383 1.56863
16 2Z9I GLY ALA THR VAL 0.01819 0.41197 1.56863
17 5J32 IPM 0.02854 0.40039 1.56863
18 4AIA ADK 0.01363 0.40468 1.59574
19 3S0E EOL 0.005144 0.4191 1.68067
20 3TL1 JRO 0.02488 0.40236 1.88679
21 3O01 DXC 0.0009324 0.45892 1.96078
22 3ZQE DXC 0.003329 0.4542 1.96078
23 3B99 U51 0.00324 0.4328 1.96078
24 5CKS GAL 0.009516 0.42219 1.96078
25 4IA6 EIC 0.01712 0.41481 1.96078
26 3RET SAL 0.008639 0.40867 1.9802
27 3RET PYR 0.008639 0.40867 1.9802
28 1SBR VIB 0.002618 0.45251 2
29 3AQT RCO 0.004095 0.4466 2.04082
30 5N17 8FK 0.01095 0.4222 2.17391
31 4XNV BUR 0.01965 0.41487 2.35294
32 4K7O EKZ 0.008676 0.43164 2.38095
33 4RQL SNE 0.0185 0.40981 2.7451
34 1ZDQ MSM 0.02606 0.40567 2.7451
35 2QCX PF1 0.02489 0.40541 2.7451
36 3H4Z GLC GLC 0.01103 0.41593 3.13725
37 3CHT 4NB 0.02686 0.40198 3.13725
38 3TDC 0EU 0.005244 0.44861 3.52941
39 4L77 CNL 0.0115 0.41502 3.52941
40 2JAP J01 0.009085 0.42014 3.64372
41 5MWE TCE 0.01296 0.41694 3.7037
42 3LXI CAM 0.003217 0.45085 3.92157
43 1YC4 43P 0.003834 0.42934 3.92157
44 2JHP GUN 0.01623 0.40131 3.92157
45 2WTN FER 0.01266 0.41295 3.98406
46 5DCH 1YO 0.02046 0.40958 4.16667
47 3B6C SDN 0.02255 0.40457 4.2735
48 4EKQ NPO 0.01589 0.40389 4.27807
49 5EY0 GTP 0.004157 0.43222 4.31373
50 5F2T PLM 0.009448 0.40319 4.31373
51 4JX1 CAH 0.0365 0.40084 4.31373
52 5CHR 4NC 0.006994 0.43433 4.37956
53 2GBB CIT 0.01448 0.41002 4.48718
54 3P9T TCL 0.00625 0.42362 4.56621
55 3NJQ NJQ 0.02187 0.40525 4.66321
56 2Q8H TF4 0.003338 0.45397 4.70588
57 1TV5 N8E 0.008788 0.42872 4.70588
58 2XQ0 BES 0.01278 0.41273 4.70588
59 1UOU CMU 0.009874 0.40598 4.70588
60 2PX6 DH9 0.009298 0.4035 4.70588
61 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.0143 0.40612 4.7619
62 1Q3A NGH 0.01044 0.40487 4.84848
63 3GYT DL4 0.001792 0.40676 4.91803
64 3KYQ DPV 0.006017 0.43403 5.02513
65 3F8D FAD 0.02727 0.41441 5.09804
66 3PMD 11A 0.01372 0.407 5.22876
67 3HP9 CF1 0.02673 0.4048 5.4902
68 4K10 NI9 0.02352 0.40213 5.4902
69 2W3L DRO 0.01212 0.42011 5.55556
70 5MOB A8S 0.01139 0.41093 5.60345
71 1XZ3 ICF 0.003416 0.44204 5.74713
72 4UYF 73B 0.02208 0.40255 5.84416
73 3KC1 2T6 0.001591 0.42985 5.88235
74 2JC9 ADN 0.009739 0.42332 5.88235
75 5CX6 CDP 0.01779 0.41031 5.88235
76 1ZPD CIT 0.01923 0.41321 6.27451
77 2CHT TSA 0.02345 0.40369 6.29921
78 4G28 0W8 0.006152 0.42859 6.86275
79 5OCA 9QZ 0.003429 0.46344 6.91244
80 3AQA BYH 0.01538 0.41051 7.03125
81 2O1V ADP 0.008748 0.41652 7.05882
82 2YLD CMO 0.007966 0.43374 7.08661
83 3WBG 2AN 0.006298 0.41503 7.18954
84 1A05 IPM 0.01569 0.41548 7.45098
85 1J78 OLA 0.005093 0.40757 7.45098
86 4QBK 3NZ 0.01778 0.40151 7.73196
87 1I06 TZL 0.018 0.40961 7.77778
88 2ATJ BHO 0.03327 0.40315 7.84314
89 1GHQ NDG 0.004674 0.41537 8.20895
90 2PRG BRL 0.0001312 0.48174 8.23529
91 3ET3 ET1 0.000126 0.47256 8.23529
92 3G9E RO7 0.00009372 0.40764 8.23529
93 4HEE 14R 0.005363 0.40364 8.23529
94 3B9Z CO2 0.01926 0.41895 8.62745
95 3E3U NVC 0.00958 0.40659 8.62944
96 1XVB 3BR 0.01662 0.40293 8.82353
97 1ZOY UQ1 0.008369 0.42979 9.12698
98 3EE4 MYR 0.00202 0.41519 9.41177
99 3KO0 TFP 0.01898 0.40454 9.90099
100 1RL4 BL5 0.01692 0.40503 10.1064
101 3ET1 ET1 0.0007401 0.44858 10.1961
102 1XMY ROL 0.02146 0.40146 10.1961
103 2VWA PTY 0.01466 0.41562 10.8911
104 4URX FK1 0.008412 0.42114 10.9804
105 5N18 8HZ 0.01385 0.41728 11.0092
106 5HWK BEZ 0.01453 0.41284 12.1569
107 1XIU REA 0.000009859 0.53135 13.913
108 1HG4 LPP 0.0006382 0.40737 14.1176
109 4JWK CTN 0.007722 0.42952 14.5078
110 4DS8 A8S 0.005321 0.41842 14.5098
111 1XAP TTB 0.00005398 0.48813 14.902
112 2LBD REA 0.00002598 0.47185 14.902
113 4DM8 REA 0.0000661 0.47019 14.902
114 5XNA SHV 0.008037 0.43168 15.942
115 1TW4 CHD 0.008934 0.41192 16
116 4URG C2E 0.01291 0.42113 16.1677
117 1FCZ 156 0.00002422 0.47985 16.1702
118 2Q2Y ADP 0.01144 0.41192 21.4286
119 2Q2Y MKR 0.01087 0.41192 21.4286
120 4QJR PIZ 0.00005956 0.45375 21.6327
121 3BEJ MUF 0.00000318 0.5202 22.2689
122 3KMR EQN 0.00003033 0.50413 22.3529
123 1YMT DR9 0.0001216 0.4871 22.3577
124 3JRS A8S 0.01065 0.40083 23.0769
125 1YUC EPH 0.0002351 0.43615 23.5294
126 1DB1 VDX 0.0002282 0.40534 23.5294
127 3KDJ A8S 0.006697 0.40285 23.7624
128 1NRL SRL 0.002365 0.4187 23.9216
129 1YP0 PEF 0.000197 0.45019 24.2678
130 5UNJ RJW 0.0003387 0.4685 24.4898
131 1FBY REA 0.00002568 0.47945 27.1967
132 1FM9 9CR 0.000002233 0.54662 27.3109
133 1PZL MYR 0.00009149 0.48865 27.8481
134 1DKF OLA 0.000007238 0.5508 27.897
135 1DKF BMS 0.00000449 0.51486 27.897
136 4POJ 2VP 0.0000003241 0.55013 28.1385
137 4M8E 29V 0.000001778 0.53104 28.1385
138 3H0A 9RA 0.00001371 0.51902 28.5088
139 3IPQ 965 0.000008754 0.45918 28.6219
140 3FS1 MYR 0.0002957 0.47116 28.6957
141 1YYE 196 0.00000001568 0.67379 31.7647
142 1G2N EPH 0.0009805 0.41702 32.9412
143 5FPN KYD 0.01081 0.41954 35.7143
144 2QA8 GEN 0.000000005905 0.69337 39.6078
145 2QZO KN1 0.00000004886 0.62474 39.6078
146 2BJ4 OHT 0.00000002972 0.62594 40.0794
147 3UUD EST 0.000000003522 0.70373 40.239
148 3UU7 2OH 0.00000004286 0.69673 40.239
149 3UUA 0CZ 0.00000003623 0.67737 40.239
150 5AAV GW5 0.000000154 0.40131 40.4762
151 2QE4 JJ3 0.0000001328 0.41132 41.129
152 1U3R 338 0.00000007121 0.62583 42.7386
153 2E2R 2OH 0.0000000008861 0.54305 42.8571
154 1RTW MP5 0.0227 0.40442 42.8571
155 2I0G I0G 0.00000008157 0.66225 43.9216
156 2HHP FLC 0.000545 0.47392 50
157 2HK9 ATR 0.01411 0.4064 50
Pocket No.: 2; Query (leader) PDB : 4P6X; Ligand: HCY; Similar sites found: 32
This union binding pocket(no: 2) in the query (biounit: 4p6x.bio5) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TUV VK3 0.01484 0.41292 None
2 1MID LAP 0.01655 0.40302 None
3 4OAS 2SW 0.01162 0.40269 None
4 5TVI MYR 0.009959 0.40249 None
5 4B6C B5U 0.009978 0.40211 2.55102
6 2W5T GP9 0.01594 0.40794 2.7451
7 2BP1 FLC 0.02012 0.40234 3.13725
8 3ZPG 5GP 0.004973 0.44026 3.52941
9 2HFK E4H 0.02679 0.4007 3.52941
10 1DTL BEP 0.01377 0.40299 3.72671
11 2WG9 OCA 0.01101 0.42057 3.84615
12 4OB1 BUB 0.01649 0.41228 3.86266
13 4B1V LAB 0.01021 0.41326 3.92157
14 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.02811 0.4057 3.92157
15 3KP6 SAL 0.01692 0.41904 3.97351
16 5UC9 MYR 0.01926 0.40921 3.9823
17 3WCA FPS 0.007575 0.40965 4.31373
18 3VV5 SLZ 0.01323 0.40777 4.70588
19 4OIC A8S 0.01089 0.4004 4.70588
20 1GEG GLC 0.01674 0.41408 5.4902
21 2D09 FLV 0.02083 0.40211 5.88235
22 4BIX ADP 0.008186 0.42718 6.66667
23 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.0321 0.4008 6.69456
24 3WFD AXO 0.01454 0.41403 7.51174
25 5HZ9 5M8 0.002638 0.42036 8.14815
26 3T03 3T0 0.002281 0.40497 8.23529
27 4NKW PLO 0.01084 0.40047 9.01961
28 2CB8 MYA 0.03251 0.40029 9.1954
29 1ZNY GDP 0.02564 0.40169 11.5942
30 1SQL GUN 0.01715 0.40957 11.6438
31 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.01938 0.40368 11.8852
32 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.026 0.40537 28.6957
33 4ARE FLC 0.01224 0.41346 50
Pocket No.: 3; Query (leader) PDB : 4P6X; Ligand: HCY; Similar sites found: 12
This union binding pocket(no: 3) in the query (biounit: 4p6x.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2OHV NHL 0.01209 0.41395 1.56863
2 1R6N 434 0.02048 0.40636 2.36967
3 3Q8G PEE 0.03247 0.40148 3.13725
4 4OB0 PBC 0.009198 0.4271 3.86266
5 4O4Z N2O 0.03067 0.41305 3.8961
6 4MRP GSH 0.02251 0.40642 3.92157
7 3MN5 LAB 0.02244 0.40468 3.92157
8 4MA6 28E 0.009768 0.42325 5.73248
9 3L1N PLM 0.008966 0.42516 6.18557
10 3B1M KRC 0.003108 0.40769 8.23529
11 2IDO TMP 0.0186 0.41398 10.2151
12 4RJD TFP 0.007034 0.4313 13.6364
Pocket No.: 4; Query (leader) PDB : 4P6X; Ligand: HCY; Similar sites found: 64
This union binding pocket(no: 4) in the query (biounit: 4p6x.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BRN SRO 0.03927 0.40786 None
2 4FHT DHB 0.04258 0.40669 None
3 4BVM VCA 0.008533 0.40513 None
4 3Q2H QHF 0.01594 0.40192 0.784314
5 1ID0 ANP 0.01239 0.42085 1.31579
6 5F5R ANP 0.02916 0.40955 1.68067
7 3SQP 3J8 0.02286 0.42288 1.96078
8 2XN5 FUN 0.0149 0.42075 2.35294
9 1VAY AZA 0.03966 0.40601 2.35294
10 4MC3 28U 0.01562 0.42821 2.7451
11 4WZ6 ATP 0.04175 0.40693 2.7451
12 1TMX HGX 0.004354 0.4209 3.13725
13 3GFZ FMN 0.02795 0.40315 3.13725
14 3G58 988 0.005511 0.44278 3.52941
15 1I0B PEL 0.00886 0.42591 3.52941
16 3CV2 COA 0.03933 0.41245 3.52941
17 5AHS COA 0.02581 0.40148 3.52941
18 3OF1 CMP 0.0306 0.4047 3.65854
19 4IBF 1D5 0.01697 0.41041 3.87597
20 5CXI 5TW 0.02221 0.40139 3.94089
21 5KAU RHQ 0.01521 0.40285 4.24242
22 4ETZ C2E 0.01697 0.4263 4.70588
23 3U3U EAH 0.01672 0.40096 4.72103
24 5K8S CMP 0.01704 0.40367 4.72973
25 4WGF HX2 0.01398 0.43464 4.87805
26 4MUV PCG 0.01833 0.40538 4.92958
27 1WS1 BB2 0.01103 0.41593 5.12821
28 4DR9 BB2 0.01138 0.41528 5.20833
29 4MA7 P2Z 0.01178 0.43652 5.26316
30 3IX9 MTX 0.0314 0.4006 5.26316
31 3IA4 MTX 0.02539 0.40184 6.17284
32 5K53 STE 0.006255 0.41718 6.27451
33 1Q1Y BB2 0.01399 0.41451 6.28272
34 4DOO DAO 0.02242 0.40449 6.34146
35 3WUR O4B 0.03098 0.40665 6.43275
36 4NB5 2JT 0.002985 0.43516 7.01754
37 2B96 ANN 0.008208 0.40881 7.31707
38 4WPF 3SN 0.003848 0.42003 7.45098
39 1N4H REA 0.003889 0.41983 7.45098
40 4X8D AVI 0.02398 0.41348 7.45098
41 4L1F COS 0.005663 0.40985 7.45098
42 5BVT PAM 0.004976 0.42162 7.46269
43 4UYG 73B 0.03411 0.4099 7.64331
44 3GZ9 D32 0.0004316 0.40734 7.84314
45 4XPL ACO 0.01253 0.40992 7.97546
46 2P4Y C03 0.00001137 0.42059 8.23529
47 1S8G DAO 0.009367 0.4269 8.26446
48 5V3Y 5V8 0.008816 0.43238 9.01961
49 2WPX ACO 0.01031 0.41059 9.01961
50 3G5K BB2 0.008984 0.42018 9.28962
51 3A8H TAY 0.0376 0.40427 10.1449
52 1XM4 PIL 0.01217 0.42123 10.1961
53 1XMU ROF 0.01669 0.41076 10.1961
54 4UCC ZKW 0.03217 0.40702 11.1588
55 4V3I ASP LEU THR ARG PRO 0.01025 0.44512 11.3725
56 4LWU 20U 0.01468 0.41348 11.7647
57 1NQ7 ARL 0.004643 0.42297 11.8852
58 4RC8 STE 0.005548 0.41319 12.1622
59 1N83 CLR 0.001865 0.427 12.549
60 4I67 G G G RPC 0.01237 0.42488 12.6437
61 4YSX E23 0.007858 0.44423 15.3846
62 5W3Y IHP 0.04362 0.40409 18.0392
63 5HCN DAO 0.04616 0.40275 19.2157
64 1M13 HYF 0.003331 0.4006 23.9216
Pocket No.: 5; Query (leader) PDB : 4P6X; Ligand: HCY; Similar sites found: 3
This union binding pocket(no: 5) in the query (biounit: 4p6x.bio6) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3R9V DXC 0.02784 0.40203 2.35294
2 4XR8 MAL 0.01908 0.40001 3.51759
3 4IV9 TSR 0.02512 0.4051 3.52941
Pocket No.: 6; Query (leader) PDB : 4P6X; Ligand: HCY; Similar sites found: 7
This union binding pocket(no: 6) in the query (biounit: 4p6x.bio4) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CIX CEJ 0.01575 0.40416 2.35294
2 4HPP GLU 0.02452 0.40475 3.13725
3 1H0A I3P 0.0314 0.40025 13.2911
4 4URN NOV 0.02472 0.40315 13.7778
5 5N49 8LW 0.02037 0.40685 28.5714
6 4UY1 TJM 0.01577 0.40018 31.2977
7 2OCI TYC 0.02527 0.40394 35.7143
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