Receptor
PDB id Resolution Class Description Source Keywords
3N5O 1.85 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF PUTATIVE GLUTATHIONE TRANSFERASE FROM COCCIDIOIDES IMMITIS BOUND TO GLUTATHIONE COCCIDIOIDES IMMITIS SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE SGST GLUTATHIONE TRANSFERASE PATHOGENIC FUNGUS COCCIDIOIDOMYCOSIS VALLEY FEVER MENINGITIS
Ref.: STRUCTURES OF A PUTATIVE ZETA-CLASS GLUTATHIONE S-TRANSFERASE FROM THE PATHOGENIC FUNGUS COCCIDIOID IMMITIS. ACTA CRYSTALLOGR.,SECT.F V. 67 1038 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GSH A:232;
Valid;
none;
submit data
307.323 C10 H17 N3 O6 S C(CC(...
SO4 A:233;
B:233;
B:693;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3N5O 1.85 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF PUTATIVE GLUTATHIONE TRANSFERASE FROM COCCIDIOIDES IMMITIS BOUND TO GLUTATHIONE COCCIDIOIDES IMMITIS SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE SGST GLUTATHIONE TRANSFERASE PATHOGENIC FUNGUS COCCIDIOIDOMYCOSIS VALLEY FEVER MENINGITIS
Ref.: STRUCTURES OF A PUTATIVE ZETA-CLASS GLUTATHIONE S-TRANSFERASE FROM THE PATHOGENIC FUNGUS COCCIDIOID IMMITIS. ACTA CRYSTALLOGR.,SECT.F V. 67 1038 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 3N5O - 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 211 families.
1 3N5O - GSH C10 H17 N3 O6 S C(CC(=O)N[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1FW1 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
2 2V6K - TGG C14 H21 N3 O10 S C(CC(=O)N[....
3 2JL4 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
4 3N5O - 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 : 3N5O; Ligand: GSH; Similar sites found: 470
This union binding pocket(no: 1) in the query (biounit: 3n5o.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2JAC GSH 0.00001515 0.57389 None
2 4TR1 GSH 0.0001852 0.51361 None
3 1UO5 PIH 0.001049 0.50178 None
4 2E1A MSE 0.0001462 0.47002 None
5 1PTR PRB 0.002654 0.44408 None
6 2XRH NIO 0.003305 0.43969 None
7 4F4S EFO 0.001447 0.43597 None
8 4N7C AEF 0.004477 0.43361 None
9 1ECM TSA 0.001191 0.43357 None
10 4Q3F TLA 0.004812 0.42575 None
11 1UO4 PIH 0.02918 0.41456 None
12 4K7O EKZ 0.01241 0.41316 None
13 1YFZ IMP 0.006941 0.41301 None
14 4OWK NGA 0.01698 0.40991 None
15 2DTJ THR 0.003923 0.40796 None
16 2GSR GTS 0.00009016 0.51741 0.966184
17 3F81 STT 0.003831 0.45193 1.0929
18 2WGC SIA GAL BGC 0.02705 0.42421 1.16959
19 2BLE 5GP 0.001432 0.44687 1.2766
20 3CQL NAG 0.003914 0.44278 1.2766
21 2V7T SAH 0.01736 0.41719 1.2766
22 1P9P SAH 0.001819 0.40443 1.2766
23 1EYQ NAR 0.0006344 0.44451 1.35135
24 1XE7 GUN 0.002229 0.46368 1.47783
25 1JAC AMG 0.0141 0.43121 1.50376
26 3UBW 6SP 0.0004486 0.54558 1.70213
27 1M0U GSH 0.00006382 0.53816 1.70213
28 1JN2 SFP 0.005307 0.46444 1.70213
29 3CQ5 PMP 0.001133 0.43444 1.70213
30 2W8Q SIN 0.004634 0.43292 1.70213
31 2PUL ACP 0.001983 0.40549 1.70213
32 2OFE NAG 0.01007 0.41147 2.11268
33 1Y2W NAG 0.0133 0.4061 2.11268
34 2FOI JPA 0.0001943 0.45858 2.12766
35 1Q11 TYE 0.0004677 0.45626 2.12766
36 1UF5 CDT 0.0003005 0.45123 2.12766
37 3RK0 AMP 0.0005368 0.43587 2.12766
38 2FGQ MLT 0.002877 0.43566 2.12766
39 3JQ3 ADP 0.0008521 0.43368 2.12766
40 3ICV NAG 0.01696 0.43055 2.12766
41 1FBL HTA 0.002405 0.41621 2.12766
42 4HA6 PXM 0.007661 0.41117 2.12766
43 1O9U ADZ 0.02676 0.40956 2.12766
44 2QDT I38 0.001861 0.40647 2.12766
45 5D63 FUC GLA GLA 0.01354 0.40574 2.12766
46 2BF6 SIA 0.01588 0.40214 2.12766
47 1R4W GSH 0.002332 0.43757 2.21239
48 2JBH 5GP 0.001761 0.42677 2.22222
49 1B55 4IP 0.001434 0.41503 2.36686
50 3O03 GCO 0.0005576 0.49372 2.55319
51 1T3D CYS 0.0003752 0.48319 2.55319
52 3TFC PEP 0.0005004 0.45504 2.55319
53 1AUA BOG 0.0005646 0.45288 2.55319
54 1V6A TRE 0.0008465 0.45216 2.55319
55 4COQ SAN 0.001421 0.44926 2.55319
56 3NNF AKG 0.002442 0.43882 2.55319
57 4CCO OGA 0.001507 0.43524 2.55319
58 2YVF NAD 0.003541 0.4328 2.55319
59 3QP6 HL6 0.0005822 0.42931 2.55319
60 1PX8 XYP 0.003525 0.42563 2.55319
61 1E4E PHY 0.0005733 0.4246 2.55319
62 1KC7 PPR 0.007116 0.42433 2.55319
63 4BI7 PGA 0.002101 0.42369 2.55319
64 4JP3 CIT 0.00129 0.42155 2.55319
65 2CW6 3HG 0.01864 0.41749 2.55319
66 5EQU AKG 0.01715 0.41267 2.55319
67 2P41 G1G 0.004041 0.41232 2.55319
68 3CEV ARG 0.004415 0.41078 2.55319
69 4PO2 ASN ARG LEU LEU LEU THR GLY 0.001225 0.41031 2.55319
70 2YVF FAD 0.01467 0.40766 2.55319
71 3CBG 4FE 0.002368 0.47176 2.58621
72 3CBG FER 0.00396 0.45121 2.58621
73 1G8S MET 0.006958 0.41863 2.6087
74 1YZX GSF 0.004812 0.41454 2.65487
75 1H8P PC 0.001276 0.47578 2.75229
76 1DL7 NCH 0.03538 0.41773 2.75229
77 2YD6 FLC 0.001157 0.52366 2.83019
78 1BTN I3P 0.00867 0.45922 2.83019
79 1HFA PIO 0.0004359 0.49569 2.97872
80 1Z42 HBA 0.003681 0.47951 2.97872
81 1GPJ CIT 0.0003238 0.47774 2.97872
82 1Z44 NPO 0.004691 0.46614 2.97872
83 2Y0I AKG 0.00136 0.44335 2.97872
84 1LYX PGA 0.0003186 0.43886 2.97872
85 2BO4 FLC 0.003637 0.43778 2.97872
86 1R6W 164 0.0004281 0.4291 2.97872
87 2QCX PF1 0.003534 0.42558 2.97872
88 1AX2 NDG GAL 0.003442 0.42039 2.97872
89 2XUM OGA 0.006868 0.41888 2.97872
90 2WA4 069 0.001652 0.41752 2.97872
91 1Z41 FMN 0.0009466 0.41688 2.97872
92 4J7H TLO 0.0003079 0.41221 2.97872
93 2GN2 C5P 0.02035 0.40955 2.97872
94 4KCT FDP 0.002699 0.4095 2.97872
95 3P3N AKG 0.01148 0.40895 2.97872
96 2I4O ATP 0.003921 0.40797 2.97872
97 4B7E OGA 0.009977 0.40625 2.97872
98 2VMD MBG 0.03244 0.40533 2.97872
99 4IHQ ADP 0.006552 0.4039 2.97872
100 4KCT PYR 0.006657 0.40362 2.97872
101 1Z42 FMN 0.003937 0.40332 2.97872
102 3S6T OAN 0.001963 0.40147 2.97872
103 1XHL NDP 0.005678 0.40039 2.97872
104 1QH9 LAC 0.003962 0.4295 3.01724
105 1NU4 MLA 0.0007015 0.51136 3.09278
106 1Y7P RIP 0.004982 0.43848 3.13901
107 2FHE GSH 0.002582 0.45403 3.24074
108 3QP4 HL0 0.00009771 0.45183 3.2967
109 2Q37 3AL 0.009641 0.40688 3.31492
110 3BHO B4P 0.007607 0.44527 3.36538
111 1S8F GDP 0.003144 0.40258 3.38983
112 1ZUW DGL 0.00001786 0.50655 3.40426
113 4WBD CIT 0.001566 0.46256 3.40426
114 1OIK AKG 0.0009076 0.45789 3.40426
115 1A59 CIT 0.002291 0.44702 3.40426
116 4OYA 1VE 0.004428 0.44568 3.40426
117 1E2S CSN 0.000279 0.44097 3.40426
118 1Y42 TYR 0.001425 0.43624 3.40426
119 4WBD ADP 0.003981 0.43597 3.40426
120 4N02 FNR 0.002432 0.43314 3.40426
121 2Q3M MLA 0.0102 0.43065 3.40426
122 1GSA GSH 0.0003623 0.4221 3.40426
123 3K5X P8D 0.00174 0.42166 3.40426
124 2Q1A 2KT 0.006111 0.42113 3.40426
125 1Y7I SAL 0.003328 0.421 3.40426
126 3PLN U5P 0.003985 0.41776 3.40426
127 1OMZ UD2 0.004363 0.4164 3.40426
128 1Z45 GAL 0.005007 0.41365 3.40426
129 1A59 COA 0.0006962 0.4126 3.40426
130 4RJK PYR 0.0172 0.4126 3.40426
131 2WQP WQP 0.002161 0.40849 3.40426
132 1K6M AGS 0.0002711 0.40782 3.40426
133 3CXO 1N5 0.00326 0.40782 3.40426
134 2QF7 COA 0.002674 0.40515 3.40426
135 2NCD ADP 0.01302 0.40127 3.40426
136 1UZN NAP 0.0007626 0.40106 3.40426
137 3W54 RNB 0.003592 0.40046 3.40426
138 1Q3Q ANP 0.02035 0.40005 3.40426
139 3UEC ALA ARG TPO LYS 0.009885 0.41773 3.42466
140 3A2Y TS5 0.001122 0.40985 3.5533
141 3MBG FAD 0.002488 0.40478 3.59712
142 1GSU GTX 0.005554 0.41567 3.65297
143 2AZ3 CDP 0.0005585 0.45307 3.65854
144 3I8T LBT 0.007307 0.40685 3.65854
145 3L6R MLI 0.0003482 0.48468 3.75723
146 2HVW DDN 0.001255 0.41714 3.80435
147 1NXJ GLV 0.005208 0.4079 3.82514
148 1X8X TYR 0.00005566 0.47962 3.82979
149 1XX4 BAM 0.001638 0.47036 3.82979
150 4JWX 1N4 0.00112 0.44058 3.82979
151 2F2U M77 0.0007315 0.43626 3.82979
152 4LSJ LSJ 0.0002592 0.43137 3.82979
153 2J8Z NAP 0.0006851 0.42921 3.82979
154 3SHR CMP 0.001241 0.42735 3.82979
155 1MOQ GLP 0.0003177 0.42401 3.82979
156 4QVH FLC 0.03159 0.42115 3.82979
157 2Y7G AAE 0.0008091 0.4193 3.82979
158 2VHJ ADP 0.0002919 0.41915 3.82979
159 2B7N NTM 0.005694 0.4167 3.82979
160 2BII MTV 0.0001005 0.41635 3.82979
161 3OAI MAL 0.01739 0.41238 3.82979
162 1C7R PA5 0.003035 0.41229 3.82979
163 3T1A 5MA 0.0007132 0.41225 3.82979
164 1JA9 NDP 0.01516 0.41136 3.82979
165 3PMA SCR 0.005728 0.41123 3.82979
166 4WVH ASP HIS ASP ALA HIS ALA 0.004622 0.40998 3.82979
167 3Q9T FAY 0.006125 0.40595 3.82979
168 1SJD NPG 0.0001746 0.40537 3.82979
169 1A5Z OXM 0.03109 0.40015 3.82979
170 2X2T GAL NGA 0.0008506 0.48457 3.92157
171 2F01 BTQ 0.01688 0.40771 3.93701
172 2F01 BTN 0.02502 0.40084 3.93701
173 4AIG FLX 0.0004157 0.44577 3.9801
174 1ULE GLA GAL NAG 0.001944 0.45807 4
175 3SCH TB6 0.004902 0.42539 4.0404
176 1ZZ7 S0H 0.004734 0.41466 4.0404
177 4EXO PYR 0.001114 0.46965 4.10959
178 1V2G OCA 0.00131 0.4213 4.21053
179 4LO6 SIA GAL 0.01888 0.40762 4.21053
180 3TKA CTN 0.002168 0.48823 4.25532
181 1RYI GOA 0.003642 0.48271 4.25532
182 1HQL GLA MBG 0.00109 0.46188 4.25532
183 1WTC ACP 0.003458 0.43878 4.25532
184 1P9B HDA 0.002709 0.43053 4.25532
185 1YHM AHD 0.003008 0.42858 4.25532
186 2QGI UDP 0.003227 0.42727 4.25532
187 3MTW M3R 0.0007603 0.42025 4.25532
188 1PR9 NAP 0.00236 0.41546 4.25532
189 1NZY BCA 0.001846 0.41242 4.25532
190 1VR0 3SL 0.004302 0.41123 4.25532
191 4R33 SAH 0.004173 0.40646 4.25532
192 4R33 TRP 0.004173 0.40646 4.25532
193 2VVT DGL 0.01264 0.40296 4.25532
194 1YOA FMN 0.01352 0.44087 4.40252
195 1UWZ THU 0.0006663 0.4054 4.41176
196 4B16 NAG 0.02256 0.42047 4.51128
197 1OFH ADP 0.001798 0.40971 4.5977
198 2JGS BTN 0.007036 0.4101 4.61538
199 2ZWS PLM 0.0005294 0.51805 4.68085
200 3TXO 07U 0.0001479 0.45102 4.68085
201 4LIT AKG 0.001019 0.44871 4.68085
202 2EB5 OXL 0.001514 0.44803 4.68085
203 4KGM ATP 0.0007857 0.42965 4.68085
204 1C3V PDC 0.004501 0.42108 4.68085
205 4GYW UDP 0.001924 0.41739 4.68085
206 1V5F TPP 0.03989 0.41681 4.68085
207 1V5F FAD 0.03989 0.41681 4.68085
208 2ZJ5 ADP 0.005739 0.41656 4.68085
209 2DKH 3HB 0.003479 0.41614 4.68085
210 1P72 THM 0.004929 0.41394 4.68085
211 3VPD ANP 0.001042 0.41081 4.68085
212 1WNG SAH 0.0005875 0.40907 4.68085
213 1H0C AOA 0.01847 0.40516 4.68085
214 4C6F DOR 0.005326 0.4028 4.68085
215 4C6F NCD 0.005326 0.4028 4.68085
216 1U6R IOM 0.021 0.40046 4.68085
217 2OI2 DP6 0.002602 0.41009 4.79452
218 1NF8 ISC 0.004225 0.40217 4.83092
219 1NF8 BOG 0.02273 0.40097 4.83092
220 1Y1A GSH 0.01026 0.45119 4.91803
221 3UIE ADX 0.0005209 0.43108 5
222 2V5E SCR 0.01933 0.424 5
223 3UIE ANP 0.002904 0.41303 5
224 1Q6O LG6 0.000246 0.43762 5.09259
225 4W6Z ETF 0.001596 0.47092 5.10638
226 1PEA ACM 0.002019 0.45728 5.10638
227 1NML CIT 0.0004968 0.45517 5.10638
228 1SOW OXL 0.004381 0.44901 5.10638
229 2RCN GDP 0.0005795 0.44018 5.10638
230 2NZ2 ASP 0.002144 0.4289 5.10638
231 1JIL 485 0.000231 0.42238 5.10638
232 3FPZ AHZ 0.01119 0.42114 5.10638
233 4P4T GDP 0.0005421 0.41624 5.10638
234 1ZED PNP 0.01103 0.41553 5.10638
235 2HGZ PBF 0.001107 0.4154 5.10638
236 1X54 4AD 0.001134 0.41504 5.10638
237 1T10 F6P 0.006848 0.41326 5.10638
238 4BT5 23B 0.003931 0.4128 5.10638
239 3DG6 MUC 0.001872 0.4108 5.10638
240 1ZFJ IMP 0.007228 0.4081 5.10638
241 1E7S NAP 0.003864 0.40644 5.10638
242 1SQS TLA 0.02111 0.40328 5.10638
243 2CE7 ADP 0.003083 0.40288 5.10638
244 2OBM ADP 0.02438 0.40036 5.10638
245 1JH7 UVC 0.0139 0.40005 5.29101
246 1OGD RIP 0.002899 0.42348 5.34351
247 1F5F DHT 0.001388 0.40667 5.36585
248 1Y13 BIO 0.003496 0.4099 5.52486
249 4M5P MLA 0.0008542 0.49488 5.53191
250 3L24 GOA 0.0005558 0.49379 5.53191
251 9LDT OXM 0.00147 0.48258 5.53191
252 2R00 OEG 0.001218 0.45965 5.53191
253 3MAG 3MA 0.01044 0.43805 5.53191
254 4AQL TXC 0.0001901 0.43641 5.53191
255 4CIB 7UZ 0.002022 0.43597 5.53191
256 1VBH PEP 0.003152 0.42772 5.53191
257 2P69 PLP 0.003507 0.42572 5.53191
258 4M5P 23W 0.01188 0.42035 5.53191
259 1KBJ FMN 0.0009149 0.41998 5.53191
260 1C7S CBS 0.001612 0.41792 5.53191
261 9LDB OXM 0.03125 0.41299 5.53191
262 3MCT SAH 0.0003444 0.412 5.53191
263 2JC9 ADN 0.006215 0.40976 5.53191
264 3M31 FAD 0.0001632 0.40649 5.53191
265 3MCT 3MC 0.01008 0.40105 5.53191
266 3MAG SAH 0.001148 0.40031 5.53191
267 3CH5 GDP 0.0004544 0.43859 5.55556
268 3QDW A2G 0.001361 0.47438 5.59441
269 3QDT A2G GAL 0.00256 0.45234 5.59441
270 3QDV NDG 0.002108 0.44868 5.59441
271 3QDY A2G GAL 0.003223 0.44755 5.59441
272 3QDW NDG 0.002982 0.44175 5.59441
273 3QDY CBS 0.006575 0.42591 5.59441
274 3QDV A2G 0.01817 0.41805 5.59441
275 2BZ1 TAU 0.007554 0.45477 5.61225
276 2IYG FMN 0.001182 0.42298 5.64516
277 2WCV FUC 0.002553 0.42031 5.71429
278 3JQM GTP 0.001417 0.43054 5.73248
279 1YRX FMN 0.0002392 0.44341 5.78512
280 1UCN ADP 0.003592 0.40046 5.92105
281 3S9K CIT 0.001092 0.51704 5.9322
282 4M51 BEZ 0.001421 0.46459 5.95745
283 1GVF PGH 0.000758 0.44759 5.95745
284 3CL5 SIO 0.002371 0.44633 5.95745
285 1RYD GLC 0.001845 0.44423 5.95745
286 4TSK NDP 0.001875 0.44074 5.95745
287 2Q8M AMP 0.001349 0.42083 5.95745
288 3NFZ 3NF 0.001396 0.42027 5.95745
289 4F2Q QUS 0.001155 0.41846 5.95745
290 2OWZ CIT 0.01029 0.41106 5.95745
291 4DQ2 BTX 0.002339 0.41023 5.95745
292 1O68 KIV 0.003581 0.41969 6.18182
293 4F8L GAL 0.000195 0.5418 6.2069
294 1UW1 ADP 0.001851 0.43761 6.25
295 1Y9Q MED 0.005109 0.42459 6.25
296 4K30 NLG 0.003161 0.4116 6.25
297 1H16 DTL 0.004548 0.44821 6.38298
298 3IB9 BTN 0.005976 0.43118 6.38298
299 3H22 B53 0.001321 0.4263 6.38298
300 3EYK EYK 0.01082 0.4101 6.38298
301 2Q09 DI6 0.004723 0.4096 6.38298
302 2HXT EHM 0.002434 0.40663 6.38298
303 1H16 PYR 0.02595 0.40397 6.38298
304 3WCS MAN NAG 0.008931 0.40323 6.38298
305 2J0W ADP 0.0007814 0.40649 6.4588
306 2XI7 XI7 0.0007673 0.50923 6.52174
307 4G28 0W8 0.007998 0.40042 6.71141
308 2YIV YIV 0.0004531 0.48835 6.80851
309 3GJB AKG 0.001131 0.43447 6.80851
310 1RZM E4P 0.00833 0.42117 6.80851
311 1R27 MGD 0.002821 0.41623 6.80851
312 4OB6 S2T 0.001304 0.41195 6.80851
313 3A1I UNU 0.003918 0.40798 6.80851
314 4IVG ANP 0.0003117 0.40264 6.80851
315 3EE4 MYR 0.0002688 0.41375 6.81115
316 4AF5 CIT 0.00009403 0.50154 6.84211
317 2FR6 CTN 0.0004288 0.41965 6.84932
318 3VPQ GSH 0.00007425 0.54342 6.86275
319 1R5A GTS 0.00000372 0.58583 6.88073
320 4BAS GNP 0.001416 0.40627 7.03518
321 4TMK T5A 0.00296 0.41062 7.04225
322 2PFC PLM 0.0005205 0.43638 7.10383
323 1QO0 BMD 0.001693 0.44589 7.14286
324 1V2X SAM 0.00004899 0.44382 7.2165
325 4USS GSH 0.000005888 0.58496 7.23404
326 4O8A 2OP 0.001748 0.46895 7.23404
327 2VDJ HSE 0.001439 0.46433 7.23404
328 3BRE C2E 0.00647 0.42003 7.23404
329 1TDF NAP 0.009923 0.41996 7.23404
330 2HEK GDP 0.002819 0.41353 7.23404
331 1TDF FAD 0.007014 0.41124 7.23404
332 1A69 FMB 0.01505 0.40786 7.23404
333 1Q3P GLU ALA GLN THR ARG LEU 0.001717 0.40771 7.33945
334 3EW2 BTN 0.007306 0.402 7.40741
335 2HNL GSH 0.0007363 0.41045 7.55556
336 2WUL GSH 0.004775 0.43216 7.62712
337 3U1T MLI 0.000741 0.46959 7.65957
338 2IZ1 ATR 0.003339 0.43279 7.65957
339 1SQ5 PAU 0.002991 0.42292 7.65957
340 1EYE PMM 0.001811 0.41602 7.65957
341 1KTC NGA 0.004652 0.41498 7.65957
342 1ORR NAD 0.01662 0.40109 7.65957
343 3KYF 5GP 5GP 0.004066 0.40736 7.79221
344 2VQ5 LDP 0.005775 0.44302 7.9602
345 2VQ5 HBA 0.01025 0.41701 7.9602
346 2BOI MFU 0.001709 0.43298 7.9646
347 1I0Z OXM 0.003498 0.4539 8.08511
348 2ZE3 AKG 0.002777 0.43007 8.08511
349 3B9Z CO2 0.005036 0.42487 8.08511
350 3ZF8 GDP 0.005814 0.40132 8.08511
351 3VWX GSH 0.00000003083 0.70073 8.10811
352 4G1V FAD 0.01241 0.42556 8.27068
353 3O76 GTB 0.001603 0.42216 8.61244
354 1NP0 NGT 0.01104 0.4097 8.62069
355 2Z9V PXM 0.000491 0.45539 8.93617
356 2HGS GSH 0.00163 0.41299 8.93617
357 2HGS ADP 0.0001941 0.41264 8.93617
358 1IYE PGU 0.004676 0.40217 8.93617
359 2DWU DGL 0.001529 0.42923 9.05797
360 1AXD GGL CYW GLY 0.000002779 0.60151 9.09091
361 4NPT 017 0.006215 0.4002 9.09091
362 1UJ5 5RP 0.0005271 0.43617 9.2511
363 2QLX RM4 0.004626 0.43296 9.25926
364 1Y75 NAG 0.005396 0.40728 9.32203
365 3ZGE ASP 0.001377 0.46524 9.3617
366 2JFV FLC 0.002678 0.43705 9.3617
367 2C5S AMP 0.005759 0.40615 9.3617
368 1GU3 BGC BGC BGC BGC BGC 0.003722 0.41899 9.39597
369 3K3K A8S 0.00007516 0.43809 9.47867
370 3RF4 FUN 0.0007072 0.44883 9.48276
371 3F8C HT1 0.01159 0.40345 9.52381
372 1TUV VK3 0.00749 0.43736 9.64912
373 4AGS GSH 0.00000009917 0.67498 9.78723
374 1R37 NAD 0.00002702 0.48745 9.78723
375 2Q8H TF4 0.004657 0.44769 9.78723
376 1FIQ FAD 0.0006818 0.43636 9.78723
377 1FIQ SAL 0.0006862 0.43356 9.78723
378 1FIQ MTE 0.0007427 0.42946 9.78723
379 1U3I GSH 0.001188 0.47169 9.95261
380 1QDS PGA 0.002035 0.41902 10.2128
381 1SC3 MLI 0.003773 0.44427 10.2273
382 2IMI GSH 0.0000003618 0.5744 10.4072
383 1H8G CHT 0.02813 0.42327 10.5263
384 3R51 MMA 0.0182 0.41801 10.625
385 1ZL9 GSH 0.00007686 0.54181 10.628
386 3IHB TRS 0.000006484 0.6936 10.6383
387 3IHB GLU 0.0008533 0.46677 10.6383
388 2XDQ MGX 0.004467 0.4486 10.6383
389 3I51 45C 0.0008445 0.42847 10.6383
390 1WVG CXY 0.0004509 0.4033 10.6383
391 4B4D FAD 0.0007721 0.40015 10.6383
392 3GX0 GDS 0.000001468 0.54622 10.6977
393 1N9L FMN 0.0008634 0.40946 11.0092
394 3UCJ AZM 0.001501 0.42954 11.0132
395 3L4N GSH 0.00003088 0.5541 11.0236
396 3PNA CMP 0.002756 0.41898 11.039
397 3W2W ATP 0.001386 0.42038 11.0638
398 4ME6 ADP 0.006139 0.4153 11.0638
399 1RY2 AMP 0.0016 0.41149 11.0638
400 3PNL ADP 0.0009759 0.41369 11.4894
401 1F1V DHY 0.003768 0.41354 11.4894
402 3IBH GSH 0.000002619 0.53574 11.588
403 4INB 1F6 0.0005696 0.40945 11.6438
404 1C1L GAL BGC 0.001437 0.45634 11.6788
405 3NOJ PYR 0.003892 0.42094 11.7647
406 3NCQ ATP 0.0002271 0.41651 11.7647
407 2WCI GSH 0.002824 0.44933 11.8519
408 2DVZ GLU 0.0004916 0.44295 11.9149
409 1DXY COI 0.006099 0.44183 11.9149
410 1CKM GTP 0.001569 0.42877 11.9149
411 3DGB MUC 0.001322 0.42116 11.9149
412 1CKN GTP 0.003225 0.41624 11.9149
413 1A5V Y3 0.001265 0.44468 12.0253
414 3SQG COM 0.03033 0.41367 12.3404
415 1E5F PLP 0.00232 0.40308 12.3404
416 3IK7 BOB 0.002144 0.42618 12.6126
417 2C31 ADP 0.003957 0.43609 12.766
418 2C31 TZD 0.004096 0.43609 12.766
419 3CF6 SP1 0.002157 0.4042 12.766
420 2GWD GLU 0.006851 0.40312 12.766
421 2PYU IMP 0.002649 0.43095 12.7854
422 1MQ0 BRD 0.002018 0.40961 12.8571
423 2ALG DAO 0.001469 0.44192 13.0435
424 1K0D GSH 0.00002197 0.49288 13.1915
425 3I7S PYR 0.009384 0.42528 13.1915
426 1WRA PC 0.01151 0.41468 13.1915
427 4UAL 3FV 0.0008219 0.41451 13.1915
428 1H2M OGA 0.0007819 0.46076 13.4615
429 2OHV NHL 0.003049 0.41722 13.617
430 1NNS ASP 0.005876 0.40114 13.617
431 1SS4 GSH 0.0001719 0.55746 13.7255
432 1SS4 CIT 0.01286 0.45749 13.7255
433 1JGS SAL 0.0044 0.46766 13.7681
434 2C3Q GTX 0.000009858 0.4925 14.8936
435 2NVK NAP 0.005099 0.41332 14.8936
436 3JDW ORN 0.001253 0.41256 15.3191
437 1PD2 GSH 0.00008847 0.41017 15.5779
438 5FIT AP2 0.00375 0.40412 15.6463
439 4A6F SEP 0.01224 0.43443 15.8333
440 1ZJ6 G3D 0.002782 0.409 16.0428
441 3LTW HLZ 0.007737 0.41658 16.1702
442 1WHT BZS 0.008522 0.41471 16.3399
443 3GM5 CIT 0.001614 0.44681 16.3522
444 1H2K OGA 0.01691 0.40143 17.0732
445 1V2A GTS 0.00001363 0.57019 17.1429
446 3P7I P7I 0.005781 0.41107 17.4468
447 1I1Q TRP 0.00008859 0.47872 18.2979
448 2HFK E4H 0.0009893 0.4428 18.2979
449 2AAW GTX 0.0004858 0.44181 18.4685
450 2YBQ SAH 0.001833 0.40053 18.7234
451 3BY8 MLT 0.003744 0.43719 19.0141
452 1TU7 GSH 0.000387 0.46882 19.7115
453 1T0S BML 0.0007952 0.47665 19.7674
454 4JCA CIT 0.01336 0.43244 20.3593
455 1OYJ GSH 0.000009658 0.58025 24.6753
456 1N2A GTS 0.000315 0.44111 25.8706
457 3KJQ B94 0.001119 0.42387 26.3158
458 1PN9 GTX 0.0001104 0.47755 31.5789
459 4IS0 1R4 0.0000226 0.51439 31.9149
460 4IS0 GDS 0.00003154 0.49324 31.9149
461 4RI6 GSH 0.0004888 0.51354 32.093
462 1GWC GTX 0.0001237 0.50387 32.6087
463 3F6D GTX 0.00002918 0.50805 33.79
464 4YH2 GSH 0.004937 0.45984 34.2342
465 1JLV GSH 0.000002331 0.49487 34.9282
466 4PNG GSF 0.02686 0.42029 35.8079
467 2PVQ GSH 0.0005855 0.45092 39.3035
468 4CCN OGA 0.003623 0.43122 42.8571
469 2DSA HPX 0.0002504 0.42829 44.335
470 2DSA GSH 0.0002753 0.4211 44.335
Pocket No.: 2; Query (leader) PDB : 3N5O; Ligand: GSH; Similar sites found: 18
This union binding pocket(no: 2) in the query (biounit: 3n5o.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KIV ACA 0.001613 0.43458 None
2 5AN1 GSH 0.01963 0.40746 2.28311
3 5HJM MTA 0.004496 0.40253 3.82979
4 4XFR CIT 0.006646 0.43164 4.25532
5 4XG0 CIT 0.005095 0.43694 4.91803
6 1DUG GSH 0.009674 0.41527 5.55556
7 4XFM THE 0.01147 0.41957 6.38298
8 4OD7 ACE PRO TRP ALA THR CYS ASP SER NH2 0.001707 0.43923 6.84211
9 5GZZ GSH 0.004242 0.44301 7.23404
10 5KQA GSH 0.00001258 0.57981 14.3939
11 5BSR COA 0.009313 0.43272 15.3191
12 5BSR AMP 0.009055 0.42268 15.3191
13 5LOL GSH 0.0000004537 0.6532 16.7442
14 4ZB6 GDS 0.000002736 0.51458 20.1794
15 5ECP GSH 0.0002542 0.48283 29.5964
16 2VO4 GTB 0.0001509 0.43595 33.3333
17 5A4W QCT 0.000001859 0.40594 34.9057
18 4ZBA GDS 0.00001236 0.451 41.2556
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