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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: 54
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 DHH 0.59375 0.733333
6 LYS 0.59375 0.962963
7 2YJ 0.585366 0.742857
8 NPI 0.575758 0.733333
9 DAB 0.571429 0.857143
10 8SZ 0.542857 0.6
11 NLE 0.53125 0.7
12 MLY 0.527778 0.657895
13 MLZ 0.527778 0.787879
14 5CT 0.52381 0.764706
15 11C 0.515152 0.7
16 UN1 0.515152 0.7
17 0TF 0.511628 0.742857
18 HRG 0.487179 0.787879
19 ALY 0.487179 0.764706
20 ONH 0.485714 0.714286
21 EXY 0.475 0.638889
22 NOT 0.475 0.735294
23 26P 0.472222 0.636364
24 6CL 0.472222 0.733333
25 HSE 0.466667 0.709677
26 2YH 0.465116 0.735294
27 2RA 0.464286 0.758621
28 CIR 0.459459 0.714286
29 HCS 0.451613 0.785714
30 NVA 0.451613 0.689655
31 2NP 0.447368 0.628571
32 ARG 0.447368 0.735294
33 DAR 0.447368 0.735294
34 LBY 0.434783 0.619048
35 REZ 0.431818 0.638889
36 MSE 0.428571 0.617647
37 DGL 0.424242 0.666667
38 GLU 0.424242 0.666667
39 GLN 0.424242 0.65625
40 DGN 0.424242 0.65625
41 GGL 0.424242 0.666667
42 ILO 0.414634 0.735294
43 DSN 0.413793 0.666667
44 DBB 0.413793 0.642857
45 ABA 0.413793 0.642857
46 SER 0.413793 0.666667
47 SHR 0.413043 0.83871
48 DDK 0.410256 0.709677
49 DDW 0.410256 0.733333
50 CUW 0.405405 0.806452
51 C2N 0.4 0.678571
52 DCY 0.4 0.714286
53 ONL 0.4 0.606061
54 CYS 0.4 0.714286
Ligand no: 2; Ligand: DGL; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 GGL 1 1
2 GLU 1 1
3 DGL 1 1
4 DGN 0.62963 0.821429
5 GLN 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 NPI 0.53125 0.923077
11 HGA 0.53125 0.666667
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 NVA 0.5 0.740741
17 API 0.5 0.884615
18 DAS 0.481481 0.846154
19 ASP 0.481481 0.846154
20 TNA 0.463415 0.685714
21 DBB 0.461538 0.692308
22 ABA 0.461538 0.692308
23 DSN 0.461538 0.655172
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 C2N 0.444444 0.666667
31 CYS 0.444444 0.642857
32 NLE 0.4375 0.689655
33 2HG 0.433333 0.653846
34 S2G 0.433333 0.653846
35 ASN 0.428571 0.677419
36 26P 0.428571 0.857143
37 3GC 0.425 0.705882
38 DLY 0.424242 0.666667
39 MED 0.424242 0.625
40 MET 0.424242 0.625
41 MSE 0.424242 0.606061
42 BIX 0.418605 0.631579
43 MF3 0.416667 0.625
44 CBH 0.414634 0.774194
45 DHH 0.411765 0.851852
46 LYS 0.411765 0.645161
47 SHR 0.409091 0.774194
48 2NP 0.405405 0.71875
49 AS2 0.4 0.84
50 5OY 0.4 0.648649
51 ONH 0.4 0.611111
52 2JJ 0.4 0.648649
53 LEU 0.4 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NZ6; Ligand: DGL; Similar sites found with APoc: 216
This union binding pocket(no: 1) in the query (biounit: 4nz6.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1G16 GDP 1.17647
2 6BVE PGA 1.22449
3 4AVB CMP 1.59744
4 1C3Q TZE 1.76056
5 4M9Q GNP 1.76211
6 2CWH NDP 1.91693
7 2CWH PYC 1.91693
8 5FAL SKT 1.91693
9 5FAL COA 1.91693
10 4IV9 FAD 1.91693
11 1SOX MTE 1.91693
12 2A9D MTE 1.91693
13 5JE8 NAD 1.98676
14 2VVT I24 2.06897
15 2DC1 CIT 2.11864
16 2FAV APR 2.22222
17 2CXG GLC GLC 2.23642
18 4IDN GNP 2.23642
19 1F5N GNP 2.23642
20 5UY8 AMZ 2.23642
21 5MEX PAP 2.23642
22 2FLI DX5 2.27273
23 3R7F CP 2.30263
24 1WF3 GNP 2.32558
25 4YFY 1YJ 2.3622
26 5DUS APR 2.38095
27 1GWN GTP 2.43902
28 1SAY PYR 2.49307
29 1V9N NDP 2.55591
30 3ZCN ATP 2.55591
31 5H7K GDP 2.55591
32 3DLS ADP 2.55591
33 1DAR GDP 2.55591
34 5WQP NCA 2.5641
35 5WQP NAP 2.5641
36 1IG3 VIB 2.6616
37 5L3S G 2.7027
38 4XUC 43G 2.75229
39 4XUC SAM 2.75229
40 4FJU NAI 2.8754
41 3WXM GTP 2.8754
42 3RUV ANP 2.8754
43 3VRY B43 2.8754
44 2PK3 A2R 2.8754
45 2YVK MRU 2.8754
46 4ZFL 4NK 2.99145
47 3RJ5 NAD 3.14961
48 2X06 NAD 3.19489
49 2C6Q NDP 3.19489
50 2YBQ UP2 3.19489
51 2BO4 FLC 3.19489
52 2YBQ SAH 3.19489
53 3MGB PAP 3.19489
54 2VT3 ATP 3.25581
55 5O4J SAH 3.28467
56 5O4J 9KH 3.28467
57 3KOX Z98 3.30579
58 3L02 CP 3.34262
59 3L02 SN0 3.34262
60 3AB4 THR 3.37079
61 3AB4 LYS 3.37079
62 2GJ8 ALF GDP 3.48837
63 2IU8 PLM 3.51438
64 3HQ9 OXL 3.51438
65 3A4V NAD 3.51438
66 3A4V PYR 3.51438
67 2Q4W FAD 3.51438
68 4BAS GNP 3.51759
69 1L3I SAH 3.64583
70 2QXX TTP 3.68421
71 2BD0 NAP 3.68852
72 3D04 SAK 3.77358
73 4CM4 NAP 3.81944
74 4CM9 NAP 3.81944
75 3BMN NAP 3.81944
76 4CME NAP 3.81944
77 4CLO NAP 3.81944
78 3BMQ NAP 3.81944
79 3JQ9 NAP 3.81944
80 4CMI NAP 3.81944
81 3BMO NAP 3.81944
82 3JQ7 NAP 3.81944
83 3JQ8 NAP 3.81944
84 1QXA GLY GLY GLY 3.82979
85 5HRA DAS 3.82979
86 4AUT FAD 3.83387
87 1J78 OLA 3.83387
88 3S2U UD1 3.83387
89 1KRH FAD 3.83387
90 6C0B MLI 3.84615
91 4KVX ACO 3.84615
92 5AX9 4KT 3.8961
93 3EWP APR 3.9548
94 5J6C FMN 3.9801
95 1LYX PGA 4.03226
96 2WD7 NAP 4.10448
97 5OCM NAP 4.12371
98 1Y1P NMN AMP PO4 4.15335
99 1W0J ADP BEF 4.15335
100 3TMK T5A 4.16667
101 3F4F UMP 4.19162
102 2DPM SAM 4.22535
103 1KSK URA 4.2735
104 1GXU 2HP 4.3956
105 2BII MTV 4.47284
106 1V5F TPP 4.47284
107 1V5F FAD 4.47284
108 5NJI 8Z2 4.47284
109 1MV8 NAD 4.47284
110 6F5W KG1 4.47284
111 4R1S NAP 4.47284
112 5WA0 MSS 4.47284
113 3TAO PGH 4.49438
114 5XKT GNP 4.5
115 4XSH GSP 4.56621
116 1XFF GLU 4.58333
117 1QF9 ALF 4.63918
118 1QF9 ADP 4.63918
119 1QF9 C5P 4.63918
120 4GNC ASO 4.68227
121 4KVG GTP 4.7619
122 5MW4 5JU 4.79233
123 2JLD AG1 4.79233
124 1R0X ATP 4.8951
125 1Q9I FAD 5.11182
126 1Q9I TEO 5.11182
127 3I54 CMP 5.22088
128 2YPI PGA 5.26316
129 5H86 BCO 5.35714
130 5DI3 GNP 5.40541
131 1O3Y GTP 5.42169
132 3VMF GTP 5.43131
133 4A1O JLN 5.43131
134 3BXF 13P 5.4902
135 2BTM PGA 5.55556
136 5LW0 AR6 5.62771
137 2W2X GSP 5.64516
138 2YC5 6BC 5.70175
139 3LXR GDP 5.72917
140 1P3D ANP 5.7508
141 6B5Q PPI CZS 2KY MLY 1XY 5.77778
142 4CYD CMP 5.77778
143 3ZLM ANP 5.85106
144 2B3D FAD 5.88235
145 1GQY ACP 5.89474
146 4MN7 SME 6.04027
147 3GRU AMP 6.1017
148 3GDH SAH 6.22407
149 4BQS K2Q 6.25
150 5VYQ FON 6.27451
151 5YJ0 EF2 6.30631
152 5YJ1 6EL 6.30631
153 5YIZ EF2 6.30631
154 4ZKD GDP 6.38978
155 3H4L ANP 6.38978
156 1H2B NAJ 6.38978
157 4RIF 3R2 6.38978
158 1SW0 PGA 6.45161
159 3ZCB ATP 6.45161
160 5N5S NAP 6.70927
161 4KOT CE3 6.79012
162 2B8W ALF 5GP 7.0122
163 1LTH NAD 7.02875
164 5NUF NAD 7.02875
165 5NUE NAD 7.02875
166 1VBI NAD 7.02875
167 3KCC CMP 7.30769
168 3LU1 NAD 7.34824
169 5MDH NAD 7.34824
170 6BCB GSP 7.53425
171 3RY9 1CA 7.6
172 4F9C 0SX 7.63889
173 1N62 MCN 7.66773
174 3EWR APR 7.7381
175 1XPJ TLA 7.93651
176 3X44 PUS 7.98722
177 3F5O UOC COA 8.10811
178 1XKQ NDP 8.21429
179 1CT9 GLN 8.30671
180 1PVN MZP 8.30671
181 1HXD BTN 8.30671
182 2J59 GTP 8.33333
183 6BCA GSP 8.60927
184 5IKI A9H 8.6262
185 4WEI GLC GAL 9.02527
186 2O4N TPV 9.09091
187 2W83 GTP 9.09091
188 4HDK 13X 9.26518
189 2CK3 ANP 9.58904
190 2C5L GTP 9.82659
191 4PYA 2X3 9.93789
192 4K81 GTP 9.94152
193 4ZI2 GNP 10
194 1WWZ ACO 10.0629
195 2UZI GTP 10.241
196 2A5F GTP 10.2857
197 1OQC FAD 10.4
198 5XWV NDP 10.5431
199 5XWV 8H6 10.5431
200 4KAX GTP 10.6509
201 4ZOH MCN 11.3095
202 3HVJ 705 11.7647
203 5WYZ 7VF 11.8211
204 4NJS G08 12.1212
205 4GOJ GNP 12.1693
206 3RFV NAI 12.3596
207 4GLL NAD 13.099
208 5G5G MCN 13.1004
209 1UPT GTP 13.3333
210 2F7A BEZ 15.0862
211 2DTX BMA 15.1515
212 5K4W NAI 17.2524
213 1CXZ GSP 17.4419
214 2FXV 5GP 18.0412
215 2FH5 GTP 21.028
216 1J2J GTP 31.1111
Pocket No.: 2; Query (leader) PDB : 4NZ6; Ligand: DLY; Similar sites found with APoc: 127
This union binding pocket(no: 2) in the query (biounit: 4nz6.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5N2F 8HW None
2 2H5Z CTO None
3 2P54 735 0.749064
4 6CEN ACE GLY VAL NLE ARG ILE NH2 0.877193
5 5IVE 6E8 1.27796
6 5UIV TMP 1.32159
7 2BJK NAD 1.59744
8 4PLT NAI 1.59744
9 4PLT OXM 1.59744
10 2A9D MTE 1.91693
11 1SOX MTE 1.91693
12 5YU3 PRO 1.91693
13 5YU3 NAD 1.91693
14 4IV9 FAD 1.91693
15 1AL8 FMN 1.91693
16 1LDN NAD 1.91693
17 4U31 MVP 2.23642
18 3I53 SAH 2.23642
19 4PJ3 ANP 2.23642
20 1SOW NAD 2.23642
21 5OGX FAD 2.23642
22 4G6I RS3 2.38095
23 2OI2 DP6 2.39726
24 5T2U NAP 2.41935
25 5O96 SAM 2.44898
26 2VUT NAD 2.55591
27 2E3N 6CM 2.7451
28 2PHN GDP 2.75591
29 4R4U COA 2.76817
30 5IUW IAC 2.8754
31 5IUW NAD 2.8754
32 2PT9 S4M 2.8754
33 1HK8 DGT 2.8754
34 6E2O S0L 3.05085
35 1OG1 TAD 3.09735
36 5A3T MMK 3.19489
37 5TC4 L34 3.19489
38 5J6D 6H5 3.25733
39 4ZNL BEF ADP 3.28467
40 5BRE 4UZ 3.51438
41 6BKA FMN 3.51438
42 4NTD FAD 3.51438
43 3RHJ NAP 3.51438
44 5DX9 T6P 3.51438
45 5DNK SAH 3.51438
46 3UYW TAU 3.73832
47 2QE0 NAP 3.83387
48 1KRH FAD 3.83387
49 4PLG NAI 3.83387
50 4PLG OXM 3.83387
51 6FDF SAH 3.83387
52 1K0D GSH 3.84615
53 4TXJ THM 4.05405
54 2VZ0 NAP 4.10448
55 2VZ0 D64 4.10448
56 1MUU NAD 4.15335
57 5VJE GOS 4.15335
58 2RL1 UD1 4.15335
59 3TMK T5A 4.16667
60 1KSK URA 4.2735
61 5GM1 SAH 4.3771
62 4EKV BTN 4.40252
63 1MV8 NAD 4.47284
64 2BII MTV 4.47284
65 1O9J NAD 4.47284
66 2C42 PYR 4.47284
67 2C42 TPP 4.47284
68 1GA8 UPF 4.50161
69 1GA8 DEL 4.50161
70 3OKI OKI 4.72103
71 1LSZ NDG NAG NAG NAG 4.7619
72 1C7O PPG 4.79233
73 1S9D AFB 4.87805
74 3N9R TD3 4.88599
75 2FJK 13P 4.91803
76 3T2W BTN 4.91803
77 4PZ2 NAD 5.11182
78 1US5 GLU 5.11182
79 2YPI PGA 5.26316
80 2CYE COA 5.26316
81 3W8X FTK 5.43131
82 3W8X FAD 5.43131
83 3O9P MHI 5.43131
84 1JG3 ADN 5.53191
85 4ZTE 4RL 5.6872
86 5WKC FAD 5.7508
87 1T9D FAD 5.7508
88 4AVO BGC BGC BGC BGC BGC BGC 5.7508
89 5AJP UDP 5.7508
90 1WY7 SAH 5.7971
91 1V5Y 4HC 5.99078
92 1V5Y FMN 5.99078
93 2WLG SOP 6.04651
94 3GGO NAI 6.07029
95 3DLG GWE 6.07029
96 6E48 4OA 6.19469
97 4ZB6 GDS 6.27803
98 5D4V SAH 6.34328
99 5N5S NAP 6.70927
100 1GV0 NAD 6.77419
101 1LZR NAG NAG NAG NAG 6.92308
102 5NUF NAD 7.02875
103 5FP4 YC8 7.02875
104 4CNK FAD 7.02875
105 4I3V NAD 7.34824
106 6CI9 NAP 7.72201
107 1WUR 8DG 7.98722
108 1CT9 GLN 8.30671
109 5M7Y MAN MAN MAN 8.30671
110 1Y52 BTN 8.73016
111 4GA6 AMP 8.94569
112 4I53 1C1 9.21788
113 5EIN NAP 9.25926
114 4HDK 13X 9.26518
115 4EOY ASN ASP TRP LEU LEU PRO SER TYR 9.375
116 3RIY NAD 9.52381
117 1N07 ADP 9.81595
118 2DJH 3PD UM3 10.4348
119 1EWF PC1 10.5431
120 5XWV NDP 10.5431
121 4K2G 1OQ 10.5882
122 1RSD PSB 10.7438
123 3D78 NBB 10.9244
124 4QAR ADE 12.4378
125 4GLL NAD 13.099
126 2V1O COA 15.2318
127 1A8R GTP 16.2896
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