Receptor
PDB id Resolution Class Description Source Keywords
4NZ6 2 Å EC: 5.4.99.12 STEROID RECEPTOR RNA ACTIVATOR (SRA) MODIFICATION BY THE HUM PSEUDOURIDINE SYNTHASE 1 (HPUS1P): RNA BINDING, ACTIVITY, AM ODEL HOMO SAPIENS NUCLEAR RECEPTOR COACTIVATOR STEROID RECEPTOR RNA ACTIVATORPSEUDOURIDYLATION NUCLEUS MITOCHONDRIAL ISOMERASE
Ref.: STEROID RECEPTOR RNA ACTIVATOR (SRA) MODIFICATION B HUMAN PSEUDOURIDINE SYNTHASE 1 (HPUS1P): RNA BINDIN ACTIVITY, AND ATOMIC MODEL PLOS ONE V. 9 94610 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DLY A:403;
Valid;
none;
submit data
146.188 C6 H14 N2 O2 C(CCN...
EDO A:401;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
DGL B:401;
Valid;
none;
submit data
147.129 C5 H9 N O4 C(CC(...
PGE A:402;
Invalid;
none;
submit data
150.173 C6 H14 O4 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NZ6 2 Å EC: 5.4.99.12 STEROID RECEPTOR RNA ACTIVATOR (SRA) MODIFICATION BY THE HUM PSEUDOURIDINE SYNTHASE 1 (HPUS1P): RNA BINDING, ACTIVITY, AM ODEL HOMO SAPIENS NUCLEAR RECEPTOR COACTIVATOR STEROID RECEPTOR RNA ACTIVATORPSEUDOURIDYLATION NUCLEUS MITOCHONDRIAL ISOMERASE
Ref.: STEROID RECEPTOR RNA ACTIVATOR (SRA) MODIFICATION B HUMAN PSEUDOURIDINE SYNTHASE 1 (HPUS1P): RNA BINDIN ACTIVITY, AND ATOMIC MODEL PLOS ONE V. 9 94610 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NZ6 - DGL C5 H9 N O4 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NZ6 - DGL C5 H9 N O4 C(CC(=O)O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NZ6 - DGL C5 H9 N O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DLY; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 DLY 1 1
2 ORN 0.714286 0.961538
3 2YG 0.609756 0.742857
4 API 0.607143 0.758621
5 LYS 0.59375 0.962963
6 DHH 0.59375 0.733333
7 2YJ 0.585366 0.742857
8 NPI 0.575758 0.733333
9 DAB 0.571429 0.857143
10 NLE 0.53125 0.7
11 MLY 0.527778 0.657895
12 MLZ 0.527778 0.787879
13 5CT 0.52381 0.764706
14 11C 0.515152 0.7
15 UN1 0.515152 0.7
16 0TF 0.511628 0.742857
17 ALY 0.487179 0.764706
18 HRG 0.487179 0.787879
19 ONH 0.485714 0.714286
20 NOT 0.475 0.735294
21 EXY 0.475 0.638889
22 26P 0.472222 0.636364
23 6CL 0.472222 0.733333
24 HSE 0.466667 0.709677
25 2YH 0.465116 0.735294
26 2RA 0.464286 0.758621
27 CIR 0.459459 0.714286
28 HCS 0.451613 0.785714
29 NVA 0.451613 0.689655
30 2NP 0.447368 0.628571
31 ARG 0.447368 0.735294
32 DAR 0.447368 0.735294
33 LBY 0.434783 0.619048
34 REZ 0.431818 0.638889
35 MSE 0.428571 0.617647
36 DGL 0.424242 0.666667
37 GLU 0.424242 0.666667
38 GGL 0.424242 0.666667
39 DGN 0.424242 0.65625
40 GLN 0.424242 0.65625
41 ILO 0.414634 0.735294
42 DSN 0.413793 0.666667
43 ABA 0.413793 0.642857
44 SER 0.413793 0.666667
45 DBB 0.413793 0.642857
46 SHR 0.413043 0.83871
47 DDK 0.410256 0.709677
48 DDW 0.410256 0.733333
49 ONL 0.4 0.606061
50 CYS 0.4 0.714286
51 C2N 0.4 0.678571
52 DCY 0.4 0.714286
Ligand no: 2; Ligand: DGL; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU 1 1
2 DGL 1 1
3 GGL 1 1
4 GLN 0.62963 0.821429
5 DGN 0.62963 0.821429
6 ONL 0.586207 0.821429
7 UN1 0.566667 0.96
8 11C 0.566667 0.96
9 HCS 0.555556 0.714286
10 HGA 0.53125 0.666667
11 NPI 0.53125 0.923077
12 HSE 0.518519 0.758621
13 DAB 0.518519 0.666667
14 MEQ 0.515152 0.71875
15 3O3 0.513514 0.727273
16 API 0.5 0.884615
17 NVA 0.5 0.740741
18 ASP 0.481481 0.846154
19 DAS 0.481481 0.846154
20 TNA 0.463415 0.685714
21 ABA 0.461538 0.692308
22 DSN 0.461538 0.655172
23 DBB 0.461538 0.692308
24 SER 0.461538 0.655172
25 RGP 0.459459 0.648649
26 ORN 0.451613 0.689655
27 HOZ 0.451613 0.666667
28 AE5 0.447368 0.727273
29 DCY 0.444444 0.642857
30 CYS 0.444444 0.642857
31 C2N 0.444444 0.666667
32 NLE 0.4375 0.689655
33 S2G 0.433333 0.653846
34 2HG 0.433333 0.653846
35 ASN 0.428571 0.677419
36 26P 0.428571 0.857143
37 3GC 0.425 0.705882
38 MET 0.424242 0.625
39 MSE 0.424242 0.606061
40 DLY 0.424242 0.666667
41 MED 0.424242 0.625
42 BIX 0.418605 0.631579
43 MF3 0.416667 0.625
44 CBH 0.414634 0.774194
45 LYS 0.411765 0.645161
46 DHH 0.411765 0.851852
47 SHR 0.409091 0.774194
48 2NP 0.405405 0.71875
49 LEU 0.4 0.642857
50 5OY 0.4 0.648649
51 AS2 0.4 0.84
52 2JJ 0.4 0.648649
53 ONH 0.4 0.611111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NZ6; Ligand: DGL; Similar sites found: 136
This union binding pocket(no: 1) in the query (biounit: 4nz6.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1G16 GDP 0.02119 0.40989 1.17647
2 4AVB CMP 0.01525 0.40558 1.59744
3 1C3Q TZE 0.03128 0.40421 1.76056
4 2CWH NDP 0.007092 0.44498 1.91693
5 2CWH PYC 0.008743 0.44498 1.91693
6 1SOX MTE 0.02931 0.4008 1.91693
7 2A9D MTE 0.03002 0.4002 1.91693
8 2DC1 CIT 0.003605 0.41504 2.11864
9 2FAV APR 0.02173 0.41558 2.22222
10 2CXG GLC GLC 0.001723 0.43073 2.23642
11 4IDN GNP 0.01914 0.41167 2.23642
12 5MEX PAP 0.02689 0.40134 2.23642
13 1WF3 GNP 0.02001 0.41739 2.32558
14 1GWN GTP 0.01957 0.41008 2.43902
15 1SAY PYR 0.0319 0.41671 2.49307
16 1V9N NDP 0.003652 0.46549 2.55591
17 3DLS ADP 0.01679 0.40545 2.55591
18 1DAR GDP 0.01528 0.40443 2.55591
19 4XUC 43G 0.03415 0.4127 2.75229
20 4XUC SAM 0.03415 0.4127 2.75229
21 4FJU NAI 0.006444 0.44888 2.8754
22 3WXM GTP 0.006719 0.4393 2.8754
23 2PK3 A2R 0.02738 0.40333 2.8754
24 3RJ5 NAD 0.0335 0.41847 3.14961
25 2X06 NAD 0.00854 0.43831 3.19489
26 2YBQ UP2 0.03634 0.4136 3.19489
27 2BO4 FLC 0.02523 0.41084 3.19489
28 2YBQ SAH 0.01975 0.40918 3.19489
29 5O4J SAH 0.01625 0.43183 3.28467
30 5O4J 9KH 0.01625 0.43183 3.28467
31 3KOX Z98 0.0292 0.40031 3.30579
32 5UOX 8GY 0.03007 0.40254 3.32103
33 3L02 CP 0.02088 0.40779 3.34262
34 3AB4 THR 0.01698 0.40076 3.37079
35 3AB4 LYS 0.01869 0.40036 3.37079
36 2Q4W FAD 0.04139 0.40843 3.51438
37 4BAS GNP 0.01905 0.41148 3.51759
38 1L3I SAH 0.03025 0.40757 3.64583
39 2QXX TTP 0.02606 0.40649 3.68421
40 4CME NAP 0.04149 0.40279 3.81944
41 3JQ9 NAP 0.04626 0.40145 3.81944
42 3BMO NAP 0.04508 0.40059 3.81944
43 3JQ7 NAP 0.0433 0.40047 3.81944
44 1QXA GLY GLY GLY 0.003816 0.44376 3.82979
45 5HRA DAS 0.003923 0.43648 3.82979
46 4AUT FAD 0.02772 0.42229 3.83387
47 1J78 OLA 0.01059 0.40719 3.83387
48 3S2U UD1 0.02626 0.4053 3.83387
49 1KRH FAD 0.02547 0.40388 3.83387
50 4KVX ACO 0.01984 0.41794 3.84615
51 5AX9 4KT 0.0153 0.41186 3.8961
52 3EWP APR 0.02252 0.41541 3.9548
53 5J6C FMN 0.0157 0.41221 3.9801
54 1LYX PGA 0.009906 0.41847 4.03226
55 2WD7 NAP 0.04152 0.40281 4.10448
56 1Y1P NMN AMP PO4 0.01552 0.41963 4.15335
57 1W0J ADP BEF 0.0191 0.409 4.15335
58 5E9X 5LA 0.04709 0.40321 4.15335
59 3TMK T5A 0.02282 0.4195 4.16667
60 3F4F UMP 0.0205 0.40403 4.19162
61 2DPM SAM 0.02267 0.41017 4.22535
62 1KSK URA 0.000000109 0.57088 4.2735
63 1GXU 2HP 0.014 0.40067 4.3956
64 2BII MTV 0.003833 0.4516 4.47284
65 1V5F FAD 0.04215 0.42842 4.47284
66 5NJI 8Z2 0.02771 0.41022 4.47284
67 1MV8 NAD 0.02729 0.40922 4.47284
68 4R1S NAP 0.03256 0.40717 4.47284
69 3TAO PGH 0.01367 0.40384 4.49438
70 4XSH GSP 0.02595 0.40273 4.56621
71 1QF9 C5P 0.02747 0.41914 4.63918
72 1QF9 ALF 0.02747 0.41914 4.63918
73 1QF9 ADP 0.02747 0.41914 4.63918
74 4KVG GTP 0.03029 0.40604 4.7619
75 5MW4 5JU 0.0343 0.41855 4.79233
76 1R0X ATP 0.01388 0.40147 4.8951
77 1Q9I TEO 0.01992 0.44402 5.11182
78 3I54 CMP 0.01211 0.41503 5.22088
79 5H86 BCO 0.03235 0.40636 5.35714
80 1O3Y GTP 0.02059 0.41142 5.42169
81 3VMF GTP 0.005005 0.44802 5.43131
82 4A1O JLN 0.02138 0.41176 5.43131
83 3BXF 13P 0.009647 0.42135 5.4902
84 2BTM PGA 0.01339 0.40208 5.55556
85 5LW0 AR6 0.03551 0.40227 5.62771
86 2W2X GSP 0.0216 0.40746 5.64516
87 1P3D ANP 0.02839 0.40148 5.7508
88 3ZLM ANP 0.021 0.40716 5.85106
89 2B3D FAD 0.02464 0.41011 5.88235
90 1GQY ACP 0.01889 0.40564 5.89474
91 2WLG SOP 0.03245 0.42923 6.04651
92 3GRU AMP 0.01902 0.41443 6.1017
93 5VYQ FON 0.01456 0.40738 6.27451
94 4ZKD GDP 0.004319 0.45244 6.38978
95 3H4L ANP 0.01522 0.41728 6.38978
96 1H2B NAJ 0.03779 0.41023 6.38978
97 4RIF 3R2 0.0348 0.40645 6.38978
98 1SW0 PGA 0.01173 0.41008 6.45161
99 3ZCB ATP 0.01685 0.40675 6.45161
100 4KOT CE3 0.04843 0.40837 6.79012
101 2B8W ALF 5GP 0.02073 0.41386 7.0122
102 1LTH NAD 0.01553 0.42489 7.02875
103 3KCC CMP 0.02209 0.40584 7.30769
104 5MDH NAD 0.02499 0.41567 7.34824
105 4F9C 0SX 0.009787 0.41931 7.63889
106 1N62 MCN 0.04313 0.40955 7.66773
107 3F5O UOC COA 0.03413 0.40681 8.10811
108 1CT9 GLN 0.002317 0.44133 8.30671
109 1PVN MZP 0.03859 0.41442 8.30671
110 1HXD BTN 0.0257 0.4025 8.30671
111 2J59 GTP 0.02369 0.40801 8.33333
112 5IKI A9H 0.01569 0.40007 8.6262
113 2O4N TPV 0.01442 0.42392 9.09091
114 2W83 GTP 0.02407 0.4077 9.09091
115 4HDK 13X 0.001567 0.44813 9.26518
116 2C5L GTP 0.03055 0.40715 9.82659
117 4K81 GTP 0.008444 0.43908 9.94152
118 4ZI2 GNP 0.03102 0.40005 10
119 1WWZ ACO 0.03372 0.40781 10.0629
120 2UZI GTP 0.02412 0.41157 10.241
121 2A5F GTP 0.01347 0.4229 10.2857
122 1OQC FAD 0.0338 0.40158 10.4
123 3MJE NDP 0.02868 0.41396 10.5431
124 4KAX GTP 0.02762 0.403 10.6509
125 5NB7 8NQ 0.0316 0.40068 10.8696
126 3HVJ 705 0.04541 0.40673 11.7647
127 4R08 URI 0.03917 0.40891 11.8211
128 4NJS G08 0.03993 0.40589 12.1212
129 4GOJ GNP 0.01792 0.41294 12.1693
130 4GLL NAD 0.04942 0.40327 13.099
131 5G5G MCN 0.03496 0.41578 13.1004
132 1UPT GTP 0.02798 0.40296 13.3333
133 2DTX BMA 0.04226 0.41335 15.1515
134 1CXZ GSP 0.00792 0.43235 17.4419
135 2FXV 5GP 0.01366 0.42382 18.0412
136 2FH5 GTP 0.02771 0.40107 21.028
Pocket No.: 2; Query (leader) PDB : 4NZ6; Ligand: DLY; Similar sites found: 65
This union binding pocket(no: 2) in the query (biounit: 4nz6.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2H5Z CTO 0.009238 0.40801 None
2 2BJK NAD 0.01686 0.42764 1.59744
3 2A9D MTE 0.006497 0.43598 1.91693
4 1SOX MTE 0.006353 0.43582 1.91693
5 1AL8 FMN 0.03387 0.40341 1.91693
6 1LDN NAD 0.04275 0.4016 1.91693
7 4PJ3 ANP 0.02079 0.40914 2.23642
8 1SOW NAD 0.03554 0.40873 2.23642
9 4G6I RS3 0.03566 0.40276 2.38095
10 2OI2 DP6 0.005574 0.4311 2.39726
11 2VUT NAD 0.02413 0.41211 2.55591
12 2E3N 6CM 0.04478 0.40039 2.7451
13 2PHN GDP 0.02089 0.40853 2.75591
14 4R4U COA 0.02301 0.40314 2.76817
15 2PT9 S4M 0.02038 0.41382 2.8754
16 1OG1 TAD 0.01596 0.41809 3.09735
17 5A3T MMK 0.01133 0.43384 3.19489
18 4ZNL BEF ADP 0.01248 0.41115 3.28467
19 5UOX 8GY 0.00924 0.42617 3.32103
20 5BRE 4UZ 0.01774 0.42832 3.51438
21 4NTD FAD 0.0422 0.41272 3.51438
22 1KRH FAD 0.008918 0.43129 3.83387
23 1K0D GSH 0.01427 0.41537 3.84615
24 4TXJ THM 0.01794 0.42028 4.05405
25 2VZ0 D64 0.04114 0.42959 4.10448
26 2VZ0 NAP 0.04114 0.42959 4.10448
27 1MUU NAD 0.01547 0.41829 4.15335
28 3TMK T5A 0.02273 0.42783 4.16667
29 1KSK URA 0.0004397 0.44634 4.2735
30 4EKV BTN 0.01459 0.40841 4.40252
31 1MV8 NAD 0.009808 0.43141 4.47284
32 2BII MTV 0.01402 0.4192 4.47284
33 2C42 TPP 0.04457 0.40022 4.47284
34 2C42 PYR 0.04457 0.40022 4.47284
35 1LSZ NDG NAG NAG NAG 0.002298 0.4504 4.7619
36 3N9R TD3 0.01183 0.41634 4.88599
37 3T2W BTN 0.01535 0.40587 4.91803
38 4PZ2 NAD 0.0223 0.41702 5.11182
39 1US5 GLU 0.008203 0.41428 5.11182
40 3O9P MHI 0.02677 0.40315 5.43131
41 1YBH FAD 0.03846 0.41406 5.7508
42 4AVO BGC BGC BGC BGC BGC BGC 0.04132 0.40452 5.7508
43 5AJP UDP 0.01653 0.40113 5.7508
44 1WY7 SAH 0.01235 0.4237 5.7971
45 4ZB6 GDS 0.01166 0.42227 6.27803
46 5D4V SAH 0.03277 0.40344 6.34328
47 1GV0 NAD 0.03175 0.41059 6.77419
48 4CNK FAD 0.04689 0.40056 7.02875
49 1CT9 GLN 0.004998 0.42082 8.30671
50 5W4W 9WG 0.02559 0.41683 8.30671
51 5M7Y MAN MAN MAN 0.01536 0.41051 8.30671
52 4I53 1C1 0.01258 0.41948 9.21788
53 4HDK 13X 0.008233 0.40927 9.26518
54 4EOY ASN ASP TRP LEU LEU PRO SER TYR 0.01196 0.41223 9.375
55 3RIY NAD 0.0414 0.40216 9.52381
56 1N07 ADP 0.01138 0.41701 9.81595
57 2DJH 3PD UM3 0.01873 0.41037 10.4348
58 1EWF PC1 0.02225 0.42401 10.5431
59 4K2G 1OQ 0.04007 0.41095 10.5882
60 1RSD PSB 0.03685 0.41167 10.7438
61 3D78 NBB 0.0241 0.40755 10.9244
62 4QAR ADE 0.01707 0.40759 12.4378
63 4GLL NAD 0.03975 0.40998 13.099
64 2V1O COA 0.02726 0.40985 15.2318
65 1A8R GTP 0.02396 0.40529 16.2896
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