Receptor
PDB id Resolution Class Description Source Keywords
5UGW 2.31 Å EC: 2.7.7.49 STRUCTURE OF THE HUMAN TELOMERASE THUMB DOMAIN HOMO SAPIENS TELOMERASE REVERSE TRANSCRIPTASE TRANSFERASE THUMB DOMAIN
Ref.: STRUCTURAL ANALYSIS REVEALS THE DELETERIOUS EFFECTS TELOMERASE MUTATIONS IN BONE MARROW FAILURE SYNDROM J. BIOL. CHEM. V. 292 4593 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GSH A:1202;
A:1201;
Valid;
Valid;
none;
none;
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307.323 C10 H17 N3 O6 S C(CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5UGW 2.31 Å EC: 2.7.7.49 STRUCTURE OF THE HUMAN TELOMERASE THUMB DOMAIN HOMO SAPIENS TELOMERASE REVERSE TRANSCRIPTASE TRANSFERASE THUMB DOMAIN
Ref.: STRUCTURAL ANALYSIS REVEALS THE DELETERIOUS EFFECTS TELOMERASE MUTATIONS IN BONE MARROW FAILURE SYNDROM J. BIOL. CHEM. V. 292 4593 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5UGW - GSH C10 H17 N3 O6 S C(CC(=O)N[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 52 families.
1 5UGW - GSH C10 H17 N3 O6 S C(CC(=O)N[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 52 families.
1 5UGW - GSH C10 H17 N3 O6 S C(CC(=O)N[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GSH; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 GSH 1 1
2 HCG 0.75 0.973684
3 HGS 0.730769 0.925
4 GSM 0.690909 0.878049
5 GDS 0.672727 0.837209
6 GS8 0.672727 0.840909
7 GTS 0.672727 0.660714
8 GSF 0.660714 0.72549
9 AHE 0.649123 0.9
10 3GC 0.645833 0.918919
11 HGD 0.637931 0.837209
12 GCG 0.6 0.860465
13 KGT 0.592593 0.923077
14 TGG 0.587302 0.9
15 TS5 0.573529 0.880952
16 GSB 0.528571 0.878049
17 0HH 0.528571 0.782609
18 GSO 0.521127 0.857143
19 BOB 0.493506 0.75
20 GTB 0.493333 0.631579
21 GBI 0.486842 0.782609
22 48T 0.481013 0.8
23 ESG 0.480519 0.62069
24 GTD 0.480519 0.6
25 L9X 0.480519 0.62069
26 1R4 0.474359 0.62069
27 GIP 0.474359 0.6
28 GPS 0.468354 0.72
29 GPR 0.468354 0.72
30 GBP 0.468354 0.6
31 GAZ 0.457831 0.679245
32 GVX 0.45679 0.8
33 HFV 0.447761 0.8
34 ASV 0.446154 0.9
35 GNB 0.445783 0.6
36 VB1 0.444444 0.9
37 W05 0.444444 0.923077
38 LZ6 0.436782 0.692308
39 ACV 0.430769 0.878049
40 BCV 0.424242 0.9
41 CDH 0.424242 0.818182
42 2G2 0.42029 0.615385
43 HGA 0.42 0.622222
44 MEQ 0.411765 0.658537
45 M8F 0.411765 0.837209
46 TS4 0.410256 0.804348
47 M9F 0.405797 0.837209
48 M2W 0.4 0.8
49 KKA 0.4 0.894737
50 ACW 0.4 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5UGW; Ligand: GSH; Similar sites found: 249
This union binding pocket(no: 1) in the query (biounit: 5ugw.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CSD ACD 0.001973 0.51365 None
2 4NB5 2JT 0.0003799 0.51219 None
3 3O01 DXC 0.00009516 0.50993 None
4 3SVJ 4LI 0.001127 0.50466 None
5 5N8V KZZ 0.0001674 0.50434 None
6 2EV1 OLA 0.0003571 0.49342 None
7 3KO0 TFP 0.000265 0.4901 None
8 1S17 GNR 0.001471 0.47439 None
9 4GFD 0YB 0.008453 0.46596 None
10 2FP2 TSA 0.001777 0.46407 None
11 3M6P BB2 0.002225 0.45099 None
12 2VCX GSH 0.007412 0.43808 None
13 2VCX D26 0.007412 0.43808 None
14 4KVX ACO 0.0205 0.42891 None
15 5IF4 6AK 0.001858 0.42408 None
16 4WQ2 3SU 0.008371 0.42399 None
17 4OGN 2U5 0.02534 0.42165 None
18 4P6X HCY 0.002651 0.4202 None
19 1AWI PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.02681 0.41423 None
20 2BHW NEX 0.007765 0.40528 None
21 1BWO LPC 0.01106 0.40442 None
22 5IJJ I6P 0.01694 0.41738 1.14286
23 3BM1 FMN 0.02036 0.40644 1.14286
24 1TIQ COA 0.01921 0.40642 1.14286
25 4DR9 BB2 0.0009958 0.49179 1.71429
26 1OUK 084 0.007935 0.47312 1.71429
27 4OMJ 2TX 0.002183 0.46785 1.71429
28 4OAR 2S0 0.0009187 0.46269 1.71429
29 4B7P 9UN 0.006787 0.46266 1.71429
30 1SR7 MOF 0.001465 0.45654 1.71429
31 3OTX AP5 0.006106 0.437 1.71429
32 4TMK T5A 0.03273 0.42001 1.71429
33 4NSQ COA 0.02319 0.4026 1.71429
34 4QJR PIZ 0.00005376 0.56735 2.28571
35 5JNN 6LM 0.00009366 0.55458 2.28571
36 1ZDT PEF 0.0001719 0.53899 2.28571
37 1ATL 0QI 0.0009814 0.47266 2.28571
38 2Q2Y MKR 0.02744 0.4098 2.28571
39 2Q2Y ADP 0.02833 0.4098 2.28571
40 4QJL COA 0.03926 0.40922 2.28571
41 4EIL FOL 0.04633 0.40504 2.28571
42 5JFS 6K0 0.03943 0.40048 2.28571
43 3TL1 JRO 0.0002856 0.47132 2.51572
44 2WCJ M21 0.001553 0.45955 2.83688
45 1RX0 2MC 0.0008042 0.49336 2.85714
46 3Q8G PEE 0.004374 0.48629 2.85714
47 3Q2H QHF 0.001096 0.47064 2.85714
48 2AMV BIN 0.003968 0.46119 2.85714
49 3BQD DAY 0.0056 0.4397 2.85714
50 4NE2 SH2 0.03212 0.42941 2.85714
51 4QOM PYG 0.0299 0.42792 2.85714
52 4QBK 3NZ 0.004994 0.42168 2.85714
53 1VLH PNS 0.03173 0.416 2.89017
54 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.0001621 0.48411 3.28947
55 1JR8 FAD 0.006629 0.42351 3.4188
56 1YUC EPH 0.0004982 0.52111 3.42857
57 1YOK P6L 0.0002502 0.49182 3.42857
58 4ORM 2V6 0.01798 0.47665 3.42857
59 4ORM ORO 0.01798 0.47665 3.42857
60 4ORM FMN 0.01798 0.47665 3.42857
61 2VZZ SCA 0.005639 0.45662 3.42857
62 2A1L PCW 0.01251 0.45137 3.42857
63 2YFB SIN 0.002106 0.43498 3.42857
64 2PAV ATP 0.03405 0.43266 3.42857
65 5BYZ 4WE 0.002307 0.42544 3.42857
66 5EP2 AZU 0.01162 0.41317 3.42857
67 3C8E GSH 0.02705 0.41057 3.42857
68 4RHP PEF 0.00337 0.40552 3.42857
69 5V4R MGT 0.0009803 0.41278 3.7037
70 1YMT DR9 0.0000584 0.5697 4
71 4E5H 0N8 0.0001743 0.53233 4
72 4TV1 36M 0.0002511 0.50039 4
73 3NTD COA 0.00181 0.49782 4
74 4DOL PLM 0.0004561 0.47945 4
75 3NTA COA 0.002502 0.47882 4
76 5KD8 TNR 0.001463 0.46063 4
77 4NKW PLO 0.001409 0.45516 4
78 3LOO B4P 0.005017 0.4451 4
79 4V24 GYR 0.01841 0.44029 4
80 3PE2 E1B 0.00124 0.43602 4
81 4LSJ LSJ 0.002224 0.4309 4
82 3KDU NKS 0.02344 0.42621 4
83 2XIQ 5AD 0.008112 0.42206 4
84 3ET1 ET1 0.007644 0.41863 4
85 5V3Y 5V8 0.005154 0.4161 4
86 5K52 OCD 0.003843 0.41532 4
87 2C43 COA 0.03038 0.41521 4
88 1CX4 CMP 0.04138 0.40465 4
89 4H6Q TFB 0.03611 0.40382 4
90 5KAU RHQ 0.001418 0.46901 4.24242
91 4XIZ LPP 0.01125 0.41628 4.28571
92 3F8K COA 0.008798 0.42527 4.375
93 3NHT U46 0.00001271 0.56297 4.57143
94 4OYA 1VE 0.0008399 0.53696 4.57143
95 3LSJ COA PLM 0.003027 0.48797 4.57143
96 4U63 FAD 0.001124 0.47957 4.57143
97 4BNU 9KQ 0.0005569 0.4611 4.57143
98 1DNP FAD 0.003151 0.44219 4.57143
99 3KC1 2T6 0.003377 0.43675 4.57143
100 5D59 78M 0.01298 0.42018 4.57143
101 3TDC 0EU 0.003582 0.41929 4.57143
102 2HPS CTZ 0.03756 0.41142 4.57143
103 1R5L VIV 0.007073 0.40182 4.57143
104 4ZW3 4S9 0.0185 0.40019 4.57143
105 1Q3A NGH 0.001702 0.44273 4.84848
106 1YBU APC 0.01324 0.44063 4.8913
107 3OJI PYV 0.00005107 0.57026 5.14286
108 1FCH TYR GLN SER LYS LEU 0.001222 0.47989 5.14286
109 4HGP KDO 0.01203 0.46824 5.14286
110 3G5D 1N1 0.004214 0.46142 5.14286
111 5L7G 6QE 0.002284 0.44355 5.14286
112 2J8C U10 0.02654 0.43671 5.14286
113 2J8C SPO 0.02654 0.43671 5.14286
114 1I0B PEL 0.004308 0.43295 5.14286
115 1LBT T80 0.02065 0.43173 5.14286
116 1EE0 CAA 0.02616 0.42337 5.14286
117 1U3D FAD 0.007857 0.42133 5.14286
118 5CX6 CDP 0.006149 0.41768 5.14286
119 5IR4 ZPE 0.004794 0.41733 5.14286
120 2ZXG S23 0.01101 0.41211 5.14286
121 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.03055 0.40083 5.14286
122 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 0.04247 0.4003 5.14286
123 2O5L MNR 0.01477 0.42644 5.22876
124 4CL6 7SB 0.04025 0.40341 5.26316
125 4WKI 3PW 0.0001338 0.5501 5.53191
126 4OIC A8S 0.00006324 0.54343 5.71429
127 2FV5 541 0.0009598 0.50984 5.71429
128 5AAV GW5 0.002049 0.50833 5.71429
129 1NP7 FAD 0.00113 0.50228 5.71429
130 1YRE COA 0.0008733 0.50073 5.71429
131 4B6C B5U 0.0006126 0.49563 5.71429
132 3TGE TGE 0.004708 0.48358 5.71429
133 5F1R 42O 0.001295 0.47801 5.71429
134 2O1V ADP 0.001591 0.4669 5.71429
135 2Z7I 742 0.005654 0.46185 5.71429
136 3RGA ILD 0.00472 0.45286 5.71429
137 4IA6 EIC 0.003718 0.45148 5.71429
138 4QGE 35O 0.005846 0.44977 5.71429
139 4WH9 3M8 0.0003167 0.43282 5.71429
140 3ICS COA 0.004622 0.43024 5.71429
141 5MW4 5JU 0.01234 0.42926 5.71429
142 4QJK COA 0.04496 0.40918 5.71429
143 1BKC INN 0.04763 0.40392 5.71429
144 5CHR 4NC 0.002206 0.43992 5.83942
145 1HN4 MJI 0.006638 0.49018 6.10687
146 5MWE TCE 0.003782 0.41031 6.17284
147 5JO1 6LM 0.0001111 0.52331 6.28571
148 4DS8 A8S 0.0000924 0.51811 6.28571
149 4BXK 1IU 0.002951 0.4948 6.28571
150 2QE4 JJ3 0.002159 0.48255 6.28571
151 5APK 76E 0.001661 0.45403 6.28571
152 4YSX EPH 0.005759 0.40861 6.28571
153 3IX8 TX3 0.01085 0.45646 6.35838
154 3WV1 WHH 0.008394 0.4343 6.43275
155 4IEH 1E9 0.007792 0.43128 6.50888
156 2ALG HP6 0.01212 0.41638 6.52174
157 2ALG DAO 0.01212 0.41638 6.52174
158 1UVC STE 0.01499 0.41417 6.59341
159 5AZC PGT 0.003525 0.52793 6.85714
160 3B1M KRC 0.001619 0.47454 6.85714
161 3G4G D71 0.0007673 0.47306 6.85714
162 3FUR Z12 0.008243 0.45139 6.85714
163 3ET3 ET1 0.007215 0.44051 6.85714
164 5KOR GDP 0.01084 0.43848 6.85714
165 3G9E RO7 0.01133 0.4357 6.85714
166 3RLF MAL 0.003598 0.42711 6.85714
167 5M8T 0TR 0.01612 0.41116 6.85714
168 2DYR TGL 0.001136 0.50052 7.05882
169 2DYR PGV 0.01536 0.4282 7.05882
170 2R40 EPH 0.005639 0.44653 7.22433
171 2A06 SMA 0.00128 0.43773 7.40741
172 5TO8 7FM 0.001745 0.50457 7.42857
173 1KUK PCA LYS TRP 0.0006128 0.49145 7.42857
174 2X5W K2B 0.002666 0.47374 7.42857
175 4PYW ACE THR THR ALA ILE NH2 0.001342 0.45239 7.42857
176 1GHE ACO 0.013 0.44791 7.42857
177 5NTW 98N 0.01083 0.44273 7.42857
178 4ZOM 4Q3 0.02441 0.43989 7.42857
179 1XVB 3BR 0.003419 0.43876 7.42857
180 1XVB BHL 0.005625 0.42999 7.42857
181 2GCE SFC 0.04352 0.40185 7.42857
182 2VWA PTY 0.0000279 0.45 7.92079
183 5EHR 5OD 0.00007967 0.57307 8
184 1YKI FMN 0.002282 0.51628 8
185 1YKI NFZ 0.002604 0.51628 8
186 4JNE ATP 0.03275 0.42962 8
187 4BQO COA 0.01362 0.42706 8
188 4I4B 1CV 0.0117 0.41276 8
189 4M0R 644 0.02695 0.40444 8
190 3AJH BL3 0.02589 0.40421 8
191 3SCM LGN 0.01068 0.44287 8.08081
192 3G08 FEE 0.01331 0.43852 8.08081
193 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 0.02303 0.42015 8.08081
194 2HW2 RFP 0.004121 0.44073 8.39161
195 1YDK GTX 0.000303 0.53002 8.57143
196 3WCA FPS 0.001967 0.44514 8.57143
197 3WYJ H78 0.03134 0.43199 8.57143
198 4COL DTP 0.001954 0.42329 8.57143
199 2D5Z L35 0.007953 0.47422 8.90411
200 3JRS A8S 0.0001674 0.50787 9.13461
201 3L9R L9Q 0.001089 0.5035 9.14286
202 4U0S ADP 0.0002732 0.50128 9.14286
203 2C78 PUL 0.004552 0.47509 9.14286
204 3K87 FAD 0.01373 0.45322 9.14286
205 3L9R L9R 0.005335 0.42973 9.14286
206 5IGI GMP 0.01209 0.41952 9.14286
207 5IGI ZIT 0.01253 0.41952 9.14286
208 4WZV E40 0.001875 0.48063 9.375
209 3KDJ A8S 0.0001289 0.51647 9.40594
210 3T58 FAD 0.001119 0.49778 9.71429
211 3QCP FAD 0.001664 0.46117 9.71429
212 5X93 K87 0.005494 0.44252 9.71429
213 1YKD CMP 0.001635 0.41434 9.71429
214 2WG9 OCA 0.00322 0.41681 10
215 2Z77 NCA 0.001855 0.44143 10.0719
216 3V49 PK0 0.001847 0.49024 10.2857
217 5EY0 GTP 0.001057 0.44796 10.2857
218 2TCL RO4 0.002435 0.42749 10.6509
219 5V13 JH3 0.00004825 0.51064 10.8571
220 3HYW DCQ 0.004737 0.44827 10.8571
221 4G8R 96P 0.00803 0.43724 10.8571
222 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 0.0203 0.43642 11
223 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.0266 0.40921 11
224 5U98 1KX 0.01272 0.43491 11.1111
225 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.01997 0.42699 11.1111
226 2ZFZ ARG 0.02617 0.40146 11.3924
227 3AQT RCO 0.0001677 0.49386 11.4286
228 1GNI OLA 0.04195 0.43899 11.4286
229 3GN8 DEX 0.002012 0.43098 11.4286
230 5CXI 5TW 0.003221 0.44206 12
231 5LGA 6VH 0.009261 0.41716 12
232 5L2J 6UL 0.01982 0.4107 12.5714
233 5L2J 70E 0.02061 0.4107 12.5714
234 4C9G CXT 0.01339 0.40822 12.5714
235 1FBY REA 0.0009573 0.47972 13.1429
236 3FAL REA 0.0005957 0.47416 13.1429
237 3H0A D30 0.001736 0.47398 13.1429
238 3GWT 066 0.001338 0.46572 13.1429
239 4M8E 29V 0.002452 0.42736 13.1429
240 3QKD HI0 0.0143 0.427 13.1429
241 3KFC 61X 0.0452 0.40648 13.1429
242 5G3N X28 0.003436 0.42686 14.1732
243 4CA5 3EF 0.004443 0.49567 16
244 1XMU ROF 0.0008505 0.46542 17.7143
245 1YQZ FAD 0.009445 0.45793 17.7143
246 1XMY ROL 0.0009797 0.43357 17.7143
247 5OCA 9QZ 0.004205 0.40188 20.5714
248 2PX6 DH9 0.00005307 0.51825 22.8571
249 3N7S 3N7 0.0004474 0.41001 26.9565
Pocket No.: 2; Query (leader) PDB : 5UGW; Ligand: GSH; 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: 5ugw.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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