Receptor
PDB id Resolution Class Description Source Keywords
4IS0 1.72 Å EC: 2.5.1.18 STRUCTURAL INSIGHTS INTO OMEGA-CLASS GLUTATHIONE TRANSFERASE SNAPSHOT OF ENZYME REDUCTION AND IDENTIFICATION OF THE NON-L IGANDIN SITE. HOMO SAPIENS GST FOLD OXIDOREDUCTASE LIGAND-BINDING CYTOSOL TRANSFERA
Ref.: STRUCTURAL INSIGHTS INTO OMEGA-CLASS GLUTATHIONE TRANSFERASES: A SNAPSHOT OF ENZYME REDUCTION AND IDENTIFICATION OF A NON-CATALYTIC LIGANDIN SITE. PLOS ONE V. 8 60324 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:902;
A:901;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
1R4 A:905;
Valid;
none;
submit data
470.454 C18 H22 N4 O9 S c1cc(...
DTT A:904;
Invalid;
none;
submit data
154.251 C4 H10 O2 S2 C([C@...
GDS A:903;
Valid;
none;
submit data
612.631 C20 H32 N6 O12 S2 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IS0 1.72 Å EC: 2.5.1.18 STRUCTURAL INSIGHTS INTO OMEGA-CLASS GLUTATHIONE TRANSFERASE SNAPSHOT OF ENZYME REDUCTION AND IDENTIFICATION OF THE NON-L IGANDIN SITE. HOMO SAPIENS GST FOLD OXIDOREDUCTASE LIGAND-BINDING CYTOSOL TRANSFERA
Ref.: STRUCTURAL INSIGHTS INTO OMEGA-CLASS GLUTATHIONE TRANSFERASES: A SNAPSHOT OF ENZYME REDUCTION AND IDENTIFICATION OF A NON-CATALYTIC LIGANDIN SITE. PLOS ONE V. 8 60324 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 54 families.
1 3LFL - GSH C10 H17 N3 O6 S C(CC(=O)N[....
2 4IS0 - 1R4 C18 H22 N4 O9 S c1cc(ccc1C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 3LFL - GSH C10 H17 N3 O6 S C(CC(=O)N[....
2 4IS0 - 1R4 C18 H22 N4 O9 S c1cc(ccc1C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3LFL - GSH C10 H17 N3 O6 S C(CC(=O)N[....
2 4IS0 - 1R4 C18 H22 N4 O9 S c1cc(ccc1C....
3 3WD6 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1R4; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 1R4 1 1
2 GTB 0.695122 0.982456
3 48T 0.694118 0.683333
4 GNB 0.597826 0.901639
5 GDN 0.595506 0.873016
6 AHE 0.592105 0.627119
7 GSM 0.558442 0.616667
8 GDS 0.545455 0.622951
9 GS8 0.545455 0.603175
10 HGD 0.544304 0.622951
11 GSB 0.54023 0.701754
12 GSO 0.534091 0.719298
13 GTD 0.532609 0.8125
14 GBI 0.505376 0.672131
15 TGG 0.494118 0.627119
16 GVX 0.479592 0.629032
17 GIP 0.479167 0.731343
18 GSH 0.474359 0.62069
19 GBP 0.474227 0.731343
20 GPR 0.459184 0.630769
21 GPS 0.459184 0.630769
22 LZ6 0.447619 0.714286
23 BYG 0.428571 0.683544
24 GAZ 0.409524 0.626866
25 0HG 0.40625 0.688525
Ligand no: 2; Ligand: GDS; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 GDS 1 1
2 GS8 0.777778 0.791667
3 GSM 0.763636 0.782609
4 AHE 0.75 0.8
5 HGD 0.736842 0.909091
6 TGG 0.677419 0.883721
7 GSH 0.672727 0.837209
8 GTS 0.627119 0.661017
9 GSF 0.616667 0.722222
10 0HH 0.608696 0.77551
11 GSB 0.608696 0.782609
12 TS4 0.605634 0.913043
13 GSO 0.6 0.765957
14 GBI 0.581081 0.705882
15 GTB 0.567568 0.633333
16 GPS 0.558442 0.654545
17 GPR 0.558442 0.654545
18 ESG 0.552632 0.622951
19 GTD 0.552632 0.603175
20 L9X 0.552632 0.622951
21 1R4 0.545455 0.622951
22 BOB 0.545455 0.745098
23 48T 0.531646 0.72
24 GVX 0.525 0.755102
25 HGS 0.516129 0.863636
26 GNB 0.512195 0.603175
27 RGS 0.507937 0.893617
28 HCG 0.507937 0.860465
29 LZ6 0.482759 0.690909
30 3GC 0.482143 0.767442
31 GSH GSH 0.476923 0.930233
32 GTX 0.459459 0.76
33 GSN 0.449275 0.730769
34 LTX 0.4375 0.745098
35 0HG 0.435897 0.692308
36 TS5 0.423077 0.826087
37 GCG 0.421053 0.847826
38 GAZ 0.420455 0.62069
39 GBX 0.415842 0.631579
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IS0; Ligand: 1R4; Similar sites found: 310
This union binding pocket(no: 1) in the query (biounit: 4is0.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.004919 0.44943 None
2 1LNX URI 0.00185 0.43736 None
3 2DTJ THR 0.001424 0.43092 None
4 2JGS BTN 0.00395 0.42621 None
5 1YRX FMN 0.001137 0.42002 None
6 2VKL MLT 0.02992 0.41885 None
7 2IYG FMN 0.00218 0.41873 None
8 1Y2W NAG 0.009673 0.4175 None
9 4JCA CIT 0.03852 0.41294 None
10 1UO4 PIH 0.0367 0.40595 None
11 1PTR PRB 0.02607 0.40311 None
12 4ME6 ADP 0.002108 0.44095 0.829876
13 3ZPG 5GP 0.01093 0.43435 1.24481
14 1OIK AKG 0.01454 0.40948 1.24481
15 3MD0 GDP 0.007975 0.40578 1.24481
16 1XE7 GUN 0.03434 0.40889 1.47783
17 1JAC AMG 0.01657 0.4326 1.50376
18 1KTC NGA 0.002902 0.42911 1.65975
19 4CCO OGA 0.01169 0.40356 1.65975
20 2P41 G1G 0.01097 0.40011 1.65975
21 2YD6 FLC 0.002442 0.51388 1.88679
22 1BTN I3P 0.004782 0.47797 1.88679
23 3UBW 6SP 0.00007759 0.60224 2.07469
24 4RPM HXC 0.00837 0.45762 2.07469
25 3HZL 6PC 0.03182 0.4106 2.07469
26 1F1V DHY 0.006998 0.4081 2.07469
27 3AQT RCO 0.02753 0.40338 2.07469
28 4AF5 CIT 0.002686 0.44266 2.10526
29 1Y1A GSH 0.01069 0.45641 2.18579
30 3WUC GLC GAL 0.002227 0.44634 2.18978
31 3F8C HT1 0.003658 0.43051 2.38095
32 1NF8 BOG 0.01802 0.42589 2.41546
33 2YIV NBN 0.001289 0.46445 2.48963
34 1XX4 BAM 0.005993 0.44762 2.48963
35 2YIV YIV 0.005437 0.4421 2.48963
36 2VDY HCY 0.007572 0.43566 2.48963
37 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.0004523 0.43452 2.48963
38 3HP9 CF1 0.01158 0.43065 2.48963
39 4C2G ALA ALA ALA ALA 0.002341 0.42754 2.48963
40 1PEA ACM 0.01294 0.4237 2.48963
41 2VDJ HSE 0.01496 0.42063 2.48963
42 3U1T MLI 0.01371 0.41628 2.48963
43 3SHR CMP 0.004183 0.4124 2.48963
44 1HQL GLA MBG 0.01839 0.41028 2.48963
45 1GAD NAD 0.001042 0.40806 2.48963
46 4MRP GSH 0.03519 0.40739 2.48963
47 4M37 SAH 0.001273 0.40579 2.48963
48 1Y7I SAL 0.01214 0.40286 2.48963
49 4N7U 2JA 0.002394 0.46784 2.63158
50 1Y7P RIP 0.007263 0.43597 2.69058
51 3GD8 BOG 0.01252 0.42441 2.69058
52 1H8P PC 0.004914 0.45199 2.75229
53 1N9L FMN 0.0007608 0.4174 2.75229
54 3QDW NDG 0.001905 0.4565 2.7972
55 3QDY CBS 0.004103 0.44089 2.7972
56 3QDV A2G 0.01293 0.43063 2.7972
57 3QDV NDG 0.007379 0.42894 2.7972
58 3QDW A2G 0.01403 0.42882 2.7972
59 3QDT A2G GAL 0.0145 0.42129 2.7972
60 3QDY A2G GAL 0.01894 0.4156 2.7972
61 3BY8 MLT 0.0145 0.41515 2.8169
62 3BHO B4P 0.01277 0.43863 2.88462
63 2Q8H TF4 0.0001772 0.52514 2.90456
64 2Q1A 2KT 0.004369 0.43312 2.90456
65 1T3D CYS 0.0112 0.42042 2.90456
66 1C3V PDC 0.00784 0.41606 2.90456
67 4HA6 PXM 0.007952 0.41579 2.90456
68 1O9U ADZ 0.02532 0.4157 2.90456
69 3D2Y AH0 ALA FGA LYS 0.0009024 0.41486 2.90456
70 1FBL HTA 0.003741 0.41432 2.90456
71 1YHM AHD 0.008817 0.41383 2.90456
72 1O68 KIV 0.007939 0.41066 2.90456
73 4B9E FAH 0.01837 0.4103 2.90456
74 1A5Z OXM 0.02965 0.40603 2.90456
75 1AUA BOG 0.03123 0.40041 2.90456
76 1F5F DHT 0.001977 0.40714 2.92683
77 2VQ5 HBA 0.01014 0.42246 2.98507
78 4AIG FLX 0.004046 0.41298 2.98507
79 2VQ5 LDP 0.04717 0.40177 2.98507
80 1II5 GLU 0.006667 0.41914 3.00429
81 3CBG 4FE 0.003806 0.46655 3.01724
82 1QH9 LAC 0.006429 0.42554 3.01724
83 3CBG FER 0.03379 0.40926 3.01724
84 3KJQ B94 0.0008932 0.4336 3.04878
85 2Q4X HMH 0.02414 0.40932 3.16742
86 1OGZ EQU 0.002343 0.41753 3.2
87 2CW6 3HG 0.001809 0.47402 3.3195
88 3E5P PPI 0.005149 0.47097 3.3195
89 4IA6 EIC 0.0141 0.42315 3.3195
90 1TDF NAP 0.006258 0.41849 3.3195
91 1TDF FAD 0.00375 0.4115 3.3195
92 5CSM TRP 0.009968 0.40648 3.3195
93 4A6F SEP 0.003726 0.46704 3.33333
94 2Y6P CTP 0.004073 0.41286 3.4188
95 2CB8 MYA 0.02147 0.41247 3.44828
96 1QO0 BMD 0.003462 0.43769 3.57143
97 1ECM TSA 0.002918 0.42363 3.66972
98 2QLX RM4 0.005664 0.43433 3.7037
99 2R00 OEG 0.001297 0.46432 3.73444
100 3MAG 3MA 0.01183 0.44039 3.73444
101 3FPZ AHZ 0.006486 0.42131 3.73444
102 3MCT 3MC 0.005622 0.417 3.73444
103 2QCX PF1 0.008125 0.41538 3.73444
104 4LIT AKG 0.008939 0.41357 3.73444
105 1H16 PYR 0.02332 0.41116 3.73444
106 4CIB 7UZ 0.01059 0.41035 3.73444
107 2JFV FLC 0.01441 0.40966 3.73444
108 2PNZ 5GP 0.009984 0.40178 3.73444
109 1P1M MET 0.001112 0.40024 3.73444
110 3GM5 CIT 0.00548 0.42867 3.77358
111 1JN2 SFP 0.002975 0.49203 3.79747
112 2XI7 XI7 0.006755 0.46281 3.80435
113 3F81 STT 0.001585 0.47693 3.82514
114 3I6B KDO 0.004313 0.42185 3.88889
115 4F4S EFO 0.01018 0.40609 3.94737
116 4G28 0W8 0.004668 0.4153 4.02685
117 3IHB TRS 0.00003324 0.64449 4.14938
118 1M2Z BOG 0.00305 0.48891 4.14938
119 1KC7 PPR 0.001326 0.46386 4.14938
120 4WBD ADP 0.005825 0.43376 4.14938
121 3IHB GLU 0.008754 0.42545 4.14938
122 3L24 GOA 0.01726 0.42423 4.14938
123 3P3N AKG 0.01615 0.4074 4.14938
124 1PR9 NAP 0.002012 0.40714 4.14938
125 2OZE AGS 0.001761 0.4049 4.14938
126 2Q2Y ADP 0.01271 0.40411 4.14938
127 2Q2Y MKR 0.01206 0.40411 4.14938
128 2WA4 069 0.005971 0.40191 4.14938
129 2F2U M77 0.007718 0.40186 4.14938
130 1E4E PHY 0.003795 0.40105 4.14938
131 2XUM OGA 0.02326 0.40019 4.14938
132 3S9K CIT 0.02175 0.42047 4.23729
133 4FGC PQ0 0.0003475 0.47506 4.24242
134 3ZGE ASP 0.0007617 0.48364 4.56432
135 4O8A 2OP 0.001197 0.48311 4.56432
136 1I0B PEL 0.008553 0.44039 4.56432
137 2Q3M MLA 0.01194 0.43238 4.56432
138 1YOE RIB 0.002918 0.42363 4.56432
139 1RZM E4P 0.01031 0.42212 4.56432
140 2VJJ RAM GLC GAL NAG NAG GLC 0.003458 0.41493 4.56432
141 1V5F FAD 0.03626 0.41109 4.56432
142 1V5F TPP 0.03626 0.41109 4.56432
143 3VHZ L2P GLC MAN SGA 0.01194 0.40583 4.56432
144 3K56 IS3 0.00371 0.40552 4.56432
145 3OAI MAL 0.03642 0.40161 4.56432
146 1Y9Q MED 0.002502 0.44406 4.6875
147 4TMK T5A 0.002525 0.40254 4.69484
148 3UEC ALA ARG TPO LYS 0.01314 0.41716 4.79452
149 2OFE NAG 0.009461 0.41794 4.92958
150 2OFD NGA 0.009948 0.41695 4.92958
151 2VWA PTY 0.02619 0.41295 4.9505
152 3ICV NAG 0.001133 0.51773 4.97925
153 4M5P MLA 0.005827 0.45674 4.97925
154 4M5P 23W 0.005418 0.44217 4.97925
155 1CKM GTP 0.002257 0.42818 4.97925
156 3W9F I3P 0.02687 0.42736 4.97925
157 3P7I P7I 0.004373 0.4216 4.97925
158 1CKN GTP 0.003959 0.41822 4.97925
159 4NAO AKG 0.0139 0.416 4.97925
160 3ITA AIC 0.03368 0.40716 4.97925
161 2NZU BG6 0.009974 0.40647 4.97925
162 3H22 B53 0.006075 0.40598 4.97925
163 3DG6 MUC 0.004845 0.40119 4.97925
164 2V5E SCR 0.01072 0.44266 5
165 2Y7P SAL 0.01232 0.40259 5.04587
166 1C1L GAL BGC 0.02194 0.40666 5.10949
167 2WCI GSH 0.006527 0.43777 5.18518
168 1B74 DGN 0.0009186 0.47969 5.39419
169 1M1B SPV 0.0004395 0.47061 5.39419
170 2W8Q SIN 0.02041 0.40813 5.39419
171 1P9B HDA 0.01309 0.40632 5.39419
172 2OI2 DP6 0.004826 0.40547 5.39419
173 3ET1 ET1 0.00954 0.40293 5.39419
174 3VCA PRO 0.01559 0.40057 5.39419
175 1EYQ NAR 0.0008531 0.44543 5.40541
176 1AX2 NDG GAL 0.03109 0.40052 5.43933
177 3L4N GSH 0.00001181 0.58431 5.51181
178 1FMB HYB 0.003916 0.40896 5.76923
179 2VMD MBG 0.00007861 0.54302 5.80913
180 4B16 NAG 0.0008085 0.5022 5.80913
181 2XDQ MGX 0.008841 0.43903 5.80913
182 2IZ1 ATR 0.003858 0.43556 5.80913
183 4KCT PYR 0.003547 0.42017 5.80913
184 2NVK NAP 0.00496 0.41929 5.80913
185 2ZJF BSU 0.004846 0.40987 5.80913
186 1PFK ADP 0.00228 0.40907 5.80913
187 3CL5 SIO 0.02124 0.40732 5.80913
188 4C6F DOR 0.006066 0.40601 5.80913
189 4C6F NCD 0.006066 0.40601 5.80913
190 3WUD GLC GAL 0.02724 0.40784 5.88235
191 3KYF 5GP 5GP 0.0008583 0.43962 6.06061
192 1T0S BML 0.01227 0.42484 6.22407
193 2Z48 A2G 0.04711 0.41047 6.22407
194 1ZGA HMK 0.006084 0.4016 6.22407
195 4K30 NLG 0.01204 0.40301 6.25
196 3PNA CMP 0.007275 0.40741 6.49351
197 1WTC ACP 0.0004651 0.48516 6.639
198 3P0K FAD 0.0003193 0.41742 6.639
199 2V9M CIT 0.01353 0.40968 6.639
200 2Q09 DI6 0.006617 0.4091 6.639
201 3UST FAD 0.003502 0.40232 6.639
202 4LO6 SIA GAL 0.02161 0.40981 6.84211
203 2WQF FMN 0.003395 0.41134 6.93069
204 4RJK PYR 0.0071 0.43644 7.05394
205 3SQG COM 0.01411 0.43631 7.05394
206 4W6Z ETF 0.01928 0.42177 7.05394
207 1UOU CMU 0.001707 0.41809 7.05394
208 3LTW HLZ 0.01345 0.41101 7.05394
209 2DWU DGL 0.007439 0.40702 7.05394
210 1NW5 SAM 0.001852 0.40035 7.05394
211 4K7O EKZ 0.002837 0.4484 7.14286
212 5MWE TCE 0.01344 0.44614 7.14286
213 1SS4 CIT 0.0005925 0.54016 7.18954
214 1SS4 GSH 0.002636 0.49216 7.18954
215 1Q3P GLU ALA GLN THR ARG LEU 0.006219 0.4102 7.33945
216 1Z42 HBA 0.002867 0.48547 7.46888
217 1Z44 NPO 0.003767 0.47692 7.46888
218 2ZWS PLM 0.006682 0.46307 7.46888
219 3UDG TMP 0.004436 0.45425 7.46888
220 4COQ SAN 0.003508 0.43743 7.46888
221 4JWX 1N4 0.001958 0.43632 7.46888
222 4MGA 27L 0.009534 0.43254 7.46888
223 1T10 F6P 0.004487 0.42664 7.46888
224 1P72 THM 0.00485 0.4197 7.46888
225 4DYO SD4 0.009585 0.40251 7.46888
226 1RY2 AMP 0.001468 0.40161 7.46888
227 2BZ1 TAU 0.002902 0.48322 7.65306
228 9LDB OXM 0.005502 0.45806 7.88382
229 1HFA PIO 0.00767 0.43261 7.88382
230 2XRH NIO 0.0004181 0.48732 8
231 2JAC GSH 0.00001579 0.58162 8.18182
232 1WGC SIA GAL BGC 0.005808 0.45682 8.18713
233 2WGC SIA GAL BGC 0.01356 0.44592 8.18713
234 2D5X L35 0.008267 0.41505 8.21918
235 1NU4 MLA 0.03834 0.41305 8.24742
236 2BO4 FLC 0.009293 0.42423 8.29876
237 5KQA GSH 0.02754 0.43102 8.33333
238 4P9Z NMI PTR 02K ASN NH2 0.00573 0.41665 8.54701
239 1ULE GLA GAL NAG 0.01646 0.41859 8.66667
240 1JGS SAL 0.00986 0.45365 8.69565
241 3CR4 PNT 0.003199 0.41702 8.69565
242 1JA9 NDP 0.00316 0.42844 8.71369
243 3N29 NSD 0.0309 0.42408 8.71369
244 1UW1 ADP 0.01211 0.40779 8.75
245 1YOA FMN 0.03454 0.42312 8.80503
246 1YOA FAD 0.0004207 0.41363 8.80503
247 1A5V Y3 0.01181 0.40827 8.86076
248 2EB5 OXL 0.00138 0.45571 9.12863
249 2OKK ABU 0.01765 0.41711 9.12863
250 2I4O ATP 0.004691 0.41043 9.12863
251 2HEK GDP 0.008583 0.40003 9.12863
252 1YFZ IMP 0.01272 0.40686 9.26829
253 1V6A TRE 0.004318 0.42737 9.54357
254 1NME 159 0.001975 0.47208 9.78261
255 3GJB AKG 0.005835 0.41133 9.95851
256 1SC3 MLI 0.003506 0.45138 10.2273
257 2BOS GLA GAL GLC NBU 0.03454 0.40272 10.2941
258 2WCV FUC 0.006569 0.40463 10.7143
259 2OWZ CIT 0.009129 0.41864 10.7884
260 4WH9 3M8 0.001431 0.49409 10.929
261 2WUL GSH 0.01659 0.41036 11.0169
262 3R51 MMA 0.01336 0.4299 11.25
263 1FIQ MTE 0.0008246 0.416 11.4155
264 1FIQ SAL 0.00127 0.41255 11.4155
265 1R6N 434 0.01084 0.43041 11.8483
266 2ALG DAO 0.005477 0.42286 11.9565
267 2HXT EHM 0.003145 0.40819 12.0332
268 4JLV ADP 0.01418 0.44038 12.4481
269 1XVB 3BR 0.01073 0.41559 12.4481
270 2O66 FLC 0.007149 0.41781 12.5926
271 4N7C AEF 0.008227 0.42672 13.0682
272 1MZV AMP 0.004608 0.41074 13.1915
273 1I1Q TRP 0.008596 0.40445 13.5417
274 3O03 GCO 0.0007095 0.49462 13.6929
275 3EYK EYK 0.01915 0.40404 13.9535
276 4M51 BEZ 0.00183 0.46513 14.1079
277 3WCS MAN NAG 0.01247 0.40237 14.1079
278 4CCN OGA 0.008053 0.42111 14.2857
279 1ZED PNP 0.01645 0.41256 14.5228
280 1Q11 TYE 0.002665 0.43067 14.9378
281 4HZO COA 0.01033 0.40583 14.9378
282 2GJ3 FAD 0.001661 0.40192 15
283 1K0D GSH 0.0001166 0.43712 15.7676
284 1VBH PEP 0.004156 0.42809 15.7676
285 3PMA SCR 0.01138 0.40404 17.2414
286 1YBH P22 0.005168 0.40876 17.4274
287 1JHG TRP 0.008803 0.41386 17.8218
288 5F05 GSH 0.0004337 0.51652 17.9245
289 4G19 GSH 0.0002875 0.48674 18.2573
290 1QZZ SAM 0.002076 0.41492 21.1618
291 2V6K TGG 0.0002763 0.46689 21.9626
292 3SJ0 DXC 0.01976 0.4088 22.5352
293 1RYI GOA 0.02326 0.43922 22.8216
294 1TUV VK3 0.04795 0.4014 23.6842
295 2FYU FDN 0.0007146 0.41833 24.359
296 2YCD GTB 0.0009966 0.46094 25.6522
297 4TR1 GSH 0.0002234 0.51628 30.4348
298 3C8E GSH 0.000005116 0.57032 31.1203
299 3N5O GSH 0.0000226 0.51439 31.9149
300 4G10 GSH 0.0000001163 0.49247 32.3651
301 4F0B GDS 0.0001608 0.46784 33.0357
302 4AGS GSH 0.00000002955 0.71116 34.4398
303 3WYW GSH 0.01405 0.44505 34.7222
304 3ISO GSH 0.02047 0.41296 36.6972
305 4ZB6 GDS 0.01393 0.41032 37.2197
306 2ON5 GSH 0.0001583 0.51903 37.3786
307 5F06 GSH 0.007014 0.45246 37.5
308 3W8S GSH 0.00003 0.56258 38.3495
309 5ECP GSH 0.03014 0.41515 39.9103
310 3GX0 GDS 0.00001306 0.51905 40
Pocket No.: 2; Query (leader) PDB : 4IS0; Ligand: GDS; Similar sites found: 195
This union binding pocket(no: 2) in the query (biounit: 4is0.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.01682 0.43378 None
2 4JCA CIT 0.01841 0.42329 None
3 3RF4 FUN 0.004041 0.41549 None
4 2BOI MFU 0.00657 0.4068 None
5 1PTR PRB 0.01853 0.40325 None
6 1OIK AKG 0.007673 0.41479 1.24481
7 3ZPG 5GP 0.02695 0.40762 1.24481
8 4EXO PYR 0.006643 0.43052 1.36986
9 1JAC AMG 0.04569 0.40248 1.50376
10 2P41 G1G 0.001243 0.43066 1.65975
11 5D63 FUC GLA GLA 0.006909 0.41681 1.65975
12 4CCO OGA 0.003943 0.41592 1.65975
13 3UER BTU 0.002106 0.41145 1.65975
14 3UER TUR 0.002106 0.41145 1.65975
15 1S8F GDP 0.003079 0.40085 1.69492
16 2YD6 FLC 0.001334 0.50223 1.88679
17 3HZL 6PC 0.009048 0.43133 2.07469
18 1F1V DHY 0.002575 0.41808 2.07469
19 3UBW 6SP 0.02018 0.40931 2.07469
20 2VAR KDF 0.002552 0.40833 2.07469
21 2VAR KDG 0.002669 0.4076 2.07469
22 4AF5 CIT 0.01331 0.4042 2.10526
23 1Y1A GSH 0.01424 0.44134 2.18579
24 1NF8 BOG 0.02176 0.40003 2.41546
25 2YIV YIV 0.002715 0.44904 2.48963
26 1E7S NAP 0.001364 0.4269 2.48963
27 1Y7I SAL 0.002424 0.42462 2.48963
28 1PEA ACM 0.01005 0.42193 2.48963
29 2YIV NBN 0.01138 0.41301 2.48963
30 1XX4 BAM 0.02111 0.41295 2.48963
31 4C2G ALA ALA ALA ALA 0.003502 0.41277 2.48963
32 1GAD NAD 0.002627 0.40935 2.48963
33 3SHR CMP 0.003846 0.40626 2.48963
34 2JC9 ADN 0.007223 0.4051 2.48963
35 1SQ5 PAU 0.008373 0.40246 2.48963
36 4N7U 2JA 0.009537 0.43019 2.63158
37 1H8P PC 0.006901 0.43719 2.75229
38 3QDV NDG 0.001709 0.45075 2.7972
39 3QDW NDG 0.001982 0.44781 2.7972
40 3QDY CBS 0.00649 0.42421 2.7972
41 3QDY A2G GAL 0.01936 0.40829 2.7972
42 3QDT A2G GAL 0.02776 0.40076 2.7972
43 3BHO B4P 0.001483 0.48023 2.88462
44 2Q1A 2KT 0.0007545 0.45922 2.90456
45 1O9U ADZ 0.01837 0.41597 2.90456
46 2QJN KDG 0.001544 0.41172 2.90456
47 1O68 KIV 0.005753 0.40917 2.90456
48 1NZY BCA 0.003173 0.40787 2.90456
49 2Q8H TF4 0.02796 0.40682 2.90456
50 1T3D CYS 0.02122 0.40054 2.90456
51 2VQ5 LDP 0.01947 0.41471 2.98507
52 1II5 GLU 0.003146 0.42569 3.00429
53 3CBG 4FE 0.00716 0.44469 3.01724
54 2X2T GAL NGA 0.02845 0.40643 3.26797
55 1GJW GLC 0.001771 0.45004 3.3195
56 2CW6 3HG 0.0213 0.41275 3.3195
57 3E5P PPI 0.04973 0.4103 3.3195
58 1TDF NAP 0.02893 0.40394 3.3195
59 4LWA Q13 0.01013 0.40211 3.3195
60 3TFC PEP 0.00877 0.40163 3.3195
61 4A6F SEP 0.008563 0.44064 3.33333
62 2Y6P CTP 0.001818 0.4188 3.4188
63 1QO0 BMD 0.0003222 0.4755 3.57143
64 2QLX RM4 0.01405 0.4088 3.7037
65 2R00 OEG 0.001036 0.46071 3.73444
66 4LIT AKG 0.0009363 0.44808 3.73444
67 1H16 DTL 0.01677 0.41796 3.73444
68 3IB9 BTN 0.01171 0.41551 3.73444
69 1H16 PYR 0.01694 0.41108 3.73444
70 3MAG 3MA 0.03473 0.40879 3.73444
71 2XI7 XI7 0.003663 0.46999 3.80435
72 3F81 STT 0.01188 0.41845 3.82514
73 4F4S EFO 0.004087 0.41529 3.94737
74 3IHB TRS 0.001189 0.48093 4.14938
75 4WBD ADP 0.002145 0.44624 4.14938
76 1KC7 PPR 0.003913 0.43428 4.14938
77 3L24 GOA 0.009188 0.431 4.14938
78 3IHB GLU 0.005189 0.42866 4.14938
79 4WBD CIT 0.01201 0.41823 4.14938
80 3SIX GDP 0.002457 0.40895 4.14938
81 4KGM ATP 0.002726 0.40726 4.14938
82 4BI7 PGA 0.006113 0.40313 4.14938
83 1SOW OXL 0.03502 0.40188 4.14938
84 4R33 TRP 0.006975 0.4018 4.14938
85 4R33 SAH 0.006975 0.4018 4.14938
86 3S9K CIT 0.002566 0.50129 4.23729
87 1RZM E4P 0.004875 0.42991 4.56432
88 3I0O SMI 0.004684 0.41834 4.56432
89 2Q3M MLA 0.02519 0.40909 4.56432
90 2GWD GLU 0.004345 0.40904 4.56432
91 3ZGE ASP 0.02461 0.40328 4.56432
92 4O8A 2OP 0.03596 0.40131 4.56432
93 4WVH ASP HIS ASP ALA HIS ALA 0.006968 0.40087 4.56432
94 3ZJQ NCA 0.01176 0.41613 4.61538
95 4TMK T5A 0.04201 0.4105 4.69484
96 3UEC ALA ARG TPO LYS 0.003387 0.43715 4.79452
97 2OFD NGA 0.007346 0.41563 4.92958
98 2OFE NAG 0.01138 0.40722 4.92958
99 3ICV NAG 0.0008332 0.51773 4.97925
100 4M5P MLA 0.001124 0.48648 4.97925
101 3CEV ARG 0.002666 0.41748 4.97925
102 2V5E SCR 0.007511 0.44361 5
103 1C1L GAL BGC 0.01003 0.41552 5.10949
104 2WCI GSH 0.005673 0.43455 5.18518
105 1GU3 BGC BGC BGC BGC BGC 0.006035 0.40832 5.36913
106 2W8Q SIN 0.007005 0.42269 5.39419
107 1B74 DGN 0.01101 0.42003 5.39419
108 3L4N GSH 0.000009322 0.57963 5.51181
109 3TKA CTN 0.00008824 0.56244 5.80913
110 4QVH FLC 0.003886 0.47365 5.80913
111 3CL5 SIO 0.00104 0.46062 5.80913
112 2XDQ MGX 0.002393 0.46005 5.80913
113 2IZ1 ATR 0.002587 0.43563 5.80913
114 2DVZ GLU 0.002358 0.41445 5.80913
115 1LTH FBP 0.01249 0.40543 5.80913
116 1GPJ CIT 0.01253 0.40536 5.80913
117 4B16 NAG 0.04196 0.40445 5.80913
118 1T0S BML 0.0003018 0.49445 6.22407
119 4K30 NLG 0.009502 0.40019 6.25
120 1G8S MET 0.008721 0.41233 6.52174
121 1WTC ACP 0.0008407 0.46485 6.639
122 3WMX THR 0.02219 0.40001 6.639
123 2D37 FMN 0.001898 0.41445 6.81818
124 2D37 NAD 0.00209 0.41445 6.81818
125 3SQG COM 0.005113 0.4523 7.05394
126 4RJK PYR 0.009615 0.44709 7.05394
127 4W6Z ETF 0.005125 0.44362 7.05394
128 3LTW HLZ 0.004931 0.42328 7.05394
129 1R27 MGD 0.00582 0.40816 7.05394
130 3BRE C2E 0.01649 0.40007 7.05394
131 3CXQ GLP 0.003966 0.42141 7.06522
132 4K7O EKZ 0.001395 0.45479 7.14286
133 1SS4 CIT 0.03913 0.42728 7.18954
134 1SS4 GSH 0.03909 0.41801 7.18954
135 2ZWS PLM 0.004905 0.46307 7.46888
136 2YVF NAD 0.007203 0.42401 7.46888
137 2YVF FAD 0.006933 0.42401 7.46888
138 4COQ SAN 0.007725 0.41466 7.46888
139 2BZ1 TAU 0.009903 0.44639 7.65306
140 1HFA PIO 0.0004315 0.50135 7.88382
141 2JAC GSH 0.00001245 0.57756 8.18182
142 1NU4 MLA 0.01639 0.4344 8.24742
143 2BO4 FLC 0.006533 0.42408 8.29876
144 5KQA GSH 0.02276 0.42935 8.33333
145 1WHT BZS 0.01563 0.40111 8.49673
146 2YLD CMO 0.005729 0.4204 8.66142
147 1ULE GLA GAL NAG 0.004091 0.44056 8.66667
148 1JGS SAL 0.002193 0.48215 8.69565
149 1YOA FMN 0.02627 0.42312 8.80503
150 1A5V Y3 0.003078 0.4261 8.86076
151 2W3L DRO 0.006037 0.44008 9.02778
152 2EB5 OXL 0.004933 0.42327 9.12863
153 2Q37 3AL 0.001282 0.44228 9.39227
154 3E81 SLB 0.00759 0.4094 9.7561
155 1NME 159 0.001729 0.46707 9.78261
156 1OCU PIB 0.0009945 0.47846 10.4938
157 2OWZ CIT 0.004195 0.42637 10.7884
158 2WUL GSH 0.01248 0.40957 11.0169
159 3R51 MMA 0.01118 0.42675 11.25
160 1KYV RBF 0.001866 0.40011 11.3208
161 1FIQ FAD 0.0008605 0.43698 11.4155
162 1FIQ SAL 0.005619 0.40409 11.4155
163 3CH5 GDP 0.002361 0.40959 11.5385
164 1WRA PC 0.0004973 0.47528 12.4481
165 1I1Q TRP 0.001672 0.42554 13.5417
166 3O03 GCO 0.006113 0.43981 13.6929
167 3U7Y FLC 0.01564 0.44281 13.8095
168 4M51 BEZ 0.01011 0.4218 14.1079
169 1V7R CIT 0.00159 0.47866 15.0538
170 1K0D GSH 0.00005135 0.487 15.7676
171 1PD2 GSH 0.0001927 0.4022 17.5879
172 5F05 GSH 0.001676 0.47747 17.9245
173 4G19 GSH 0.0001866 0.48674 18.2573
174 2V6K TGG 0.0001805 0.46195 21.9626
175 3SJ0 DXC 0.01351 0.40958 22.5352
176 1RYI GOA 0.002208 0.48796 22.8216
177 1TUV VK3 0.03534 0.40169 23.6842
178 3E6J DR2 0.002054 0.46797 24.0175
179 1Z45 GAL 0.0002618 0.46432 24.0664
180 2YCD GTB 0.0006026 0.46295 25.6522
181 4TR1 GSH 0.0001849 0.51186 30.4348
182 3C8E GSH 0.00001267 0.54132 31.1203
183 3N5O GSH 0.00003154 0.49324 31.9149
184 4G10 GSH 0.000000008053 0.57514 32.3651
185 4F0B GDS 0.00007131 0.46156 33.0357
186 4AGS GSH 0.000000003888 0.74266 34.4398
187 3WYW GSH 0.03827 0.41408 34.7222
188 3ISO GSH 0.01517 0.41296 36.6972
189 4PNG GSF 0.003838 0.46366 37.1179
190 4ZB6 GDS 0.007039 0.41645 37.2197
191 2ON5 GSH 0.0007994 0.47448 37.3786
192 5F06 GSH 0.01982 0.4216 37.5
193 3W8S GSH 0.0002493 0.50579 38.3495
194 5ECP GSH 0.02269 0.41484 39.9103
195 3GX0 GDS 0.000009585 0.50428 40
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