Receptor
PDB id Resolution Class Description Source Keywords
2YCD 1.4 Å EC: 2.-.-.- STRUCTURE OF A NOVEL GLUTATHIONE TRANSFERASE FROM AGROBACTER TUMEFACIENS. AGROBACTERIUM TUMEFACIENS TRANSFERASE SOIL BACTERIA HERBICIDE DETOXIFICATION
Ref.: A GLUTATHIONE TRANSFERASE FROM AGROBACTERIUM TUMEFA REVEALS A NOVEL CLASS OF BACTERIAL GST SUPERFAMILY. PLOS ONE V. 7 34263 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTB A:501;
Valid;
none;
submit data
442.444 C17 H22 N4 O8 S c1cc(...
PO4 A:601;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YCD 1.4 Å EC: 2.-.-.- STRUCTURE OF A NOVEL GLUTATHIONE TRANSFERASE FROM AGROBACTER TUMEFACIENS. AGROBACTERIUM TUMEFACIENS TRANSFERASE SOIL BACTERIA HERBICIDE DETOXIFICATION
Ref.: A GLUTATHIONE TRANSFERASE FROM AGROBACTERIUM TUMEFA REVEALS A NOVEL CLASS OF BACTERIAL GST SUPERFAMILY. PLOS ONE V. 7 34263 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 2YCD - GTB C17 H22 N4 O8 S c1cc(ccc1C....
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 2YCD - GTB C17 H22 N4 O8 S c1cc(ccc1C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 2YCD - GTB C17 H22 N4 O8 S c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTB; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 GTB 1 1
2 GSB 0.746667 0.714286
3 1R4 0.695122 0.982456
4 GNB 0.655172 0.916667
5 GBI 0.650602 0.683333
6 AHE 0.616438 0.637931
7 GDN 0.616279 0.887097
8 0HG 0.571429 0.7
9 GTD 0.568182 0.825397
10 GDS 0.567568 0.633333
11 GS8 0.567568 0.612903
12 GSM 0.56 0.627119
13 GSO 0.552941 0.701754
14 HGD 0.545455 0.633333
15 ABY 0.517241 0.650794
16 TGG 0.512195 0.637931
17 GVX 0.510638 0.639344
18 VWW 0.505618 0.655172
19 48T 0.5 0.666667
20 GIP 0.494624 0.742424
21 GSH 0.493333 0.631579
22 GBP 0.489362 0.742424
23 LZ6 0.475248 0.725806
24 GPS 0.473684 0.615385
25 GPR 0.473684 0.615385
26 BYG 0.439655 0.692308
27 HCG 0.402439 0.62069
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YCD; Ligand: GTB; Similar sites found: 285
This union binding pocket(no: 1) in the query (biounit: 2ycd.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.00316 0.46549 None
2 2WGC SIA GAL BGC 0.01179 0.43595 None
3 1UO5 PIH 0.02884 0.41494 None
4 4CO3 ATP 0.01187 0.41348 None
5 1Q3P GLU ALA GLN THR ARG LEU 0.002702 0.40522 None
6 4NPT 017 0.001641 0.40281 None
7 3RF4 FUN 0.005919 0.40208 None
8 2GJ3 FAD 0.01253 0.40002 None
9 3O55 FAD 0.008163 0.40136 0.8
10 1H65 GDP 0.004074 0.40653 0.869565
11 1ML6 GBX 0.01081 0.43412 0.904977
12 1NNU NAD 0.0219 0.42304 1.31004
13 1NNU TCT 0.04684 0.40794 1.31004
14 4LWM MHO 0.02525 0.42115 1.38249
15 3SJ7 NDP 0.0002767 0.46388 1.73913
16 2X61 NGA GAL SIA 0.01943 0.41395 1.73913
17 2CSN CKI 0.004215 0.4126 1.73913
18 2Z9C DTC 0.008359 0.40096 2
19 1JYQ MAZ PTR PTM ASN 0.02672 0.40373 2.08333
20 3ZPG 5GP 0.0005346 0.4848 2.17391
21 1HDR NAD 0.006175 0.4302 2.17391
22 1R6D DAU 0.007615 0.42869 2.17391
23 1R6D NAD 0.008063 0.42838 2.17391
24 1PEA ACM 0.007745 0.42086 2.17391
25 2EB5 OXL 0.006037 0.41282 2.17391
26 2YBQ UP2 0.009795 0.41063 2.17391
27 2PT9 2MH 0.009999 0.40808 2.17391
28 3M6W SAM 0.002569 0.40604 2.17391
29 1G8S MET 0.009993 0.40335 2.17391
30 1KYZ FER 0.008615 0.40327 2.17391
31 2PT9 S4M 0.007572 0.40264 2.17391
32 1UWZ THU 0.003101 0.40301 2.20588
33 1U3I GSH 0.00004865 0.53273 2.36967
34 2C80 GTX 0.00115 0.4748 2.36967
35 3TA2 AKG 0.004716 0.41502 2.54237
36 2BKA NDP 0.001653 0.4331 2.6087
37 3RFV NAI 0.002019 0.42819 2.6087
38 1GAD NAD 0.002511 0.42295 2.6087
39 1IUP ALQ 0.005085 0.41506 2.6087
40 1GRO ICT 0.01367 0.41387 2.6087
41 1Q3Q ANP 0.02601 0.4084 2.6087
42 2Q2V NAD 0.01066 0.40583 2.6087
43 1JA9 NDP 0.04427 0.40407 2.6087
44 3GE7 AFQ 0.01371 0.40138 2.6087
45 4MP8 MLI 0.01775 0.40101 2.6087
46 4MP8 NAD 0.01775 0.40101 2.6087
47 3IIS PID 0.04176 0.40575 2.64901
48 3F81 STT 0.008603 0.42599 2.73224
49 2Q1S NAI 0.001473 0.45193 3.04348
50 1V6A TRE 0.001344 0.43422 3.04348
51 2RGH FAD 0.004578 0.42839 3.04348
52 2IXB NAD 0.002625 0.42787 3.04348
53 3T31 FAD 0.009598 0.42585 3.04348
54 2BGM NAJ 0.01332 0.4211 3.04348
55 3V1U NAD 0.003848 0.41415 3.04348
56 3NYQ AMP 0.00735 0.41236 3.04348
57 1IYE PGU 0.006684 0.4116 3.04348
58 3NYQ MCA 0.007269 0.41137 3.04348
59 2DKH 3HB 0.01159 0.41066 3.04348
60 2IXB A2G 0.0111 0.41044 3.04348
61 3OIG NAD 0.02537 0.41018 3.04348
62 3B1F NAD 0.003851 0.40924 3.04348
63 2DVZ GLU 0.001133 0.40773 3.04348
64 1KBI PYR 0.006262 0.40734 3.04348
65 1KBI FMN 0.006262 0.40734 3.04348
66 1RM4 NDP 0.02961 0.40722 3.04348
67 3T31 DCQ 0.02836 0.40676 3.04348
68 1LVL FAD 0.01844 0.40585 3.04348
69 3C1O NAP 0.006322 0.40419 3.04348
70 3ICC NAP 0.0121 0.40242 3.04348
71 3O03 NAP 0.009031 0.40108 3.04348
72 1JUV NDP 0.008067 0.40301 3.10881
73 2IYG FMN 0.002366 0.4026 3.22581
74 2ALG HP6 0.001064 0.42878 3.26087
75 2ALG DAO 0.001064 0.42878 3.26087
76 4TR1 GSH 0.008747 0.41875 3.26087
77 4TMK T5A 0.0329 0.42455 3.28639
78 1RYI GOA 0.0008213 0.46256 3.47826
79 4E13 NAD 0.0009584 0.43051 3.47826
80 2AEB ABH 0.002892 0.42937 3.47826
81 4JK3 NAD 0.002276 0.42758 3.47826
82 3MAG 3MA 0.015 0.42173 3.47826
83 3S7O LBV 0.005047 0.41649 3.47826
84 1EP2 ORO 0.006701 0.41516 3.47826
85 1EP2 FMN 0.005068 0.41239 3.47826
86 1P9B IMO 0.005177 0.40757 3.47826
87 1TB4 PEJ 0.008479 0.40619 3.47826
88 3BLI ACO 0.004796 0.40557 3.47826
89 1RYI FAD 0.01812 0.40442 3.47826
90 1EP2 FAD 0.005708 0.40432 3.47826
91 1UJ2 ADP 0.007397 0.40304 3.47826
92 4KCT FDP 0.002686 0.40059 3.47826
93 1UJ2 C5P 0.008814 0.40006 3.47826
94 3FXU TSU 0.005035 0.40804 3.60656
95 4CS4 ANP 0.01545 0.40351 3.64964
96 4CS4 AXZ 0.02095 0.40351 3.64964
97 3ULK NDP 0.002354 0.41745 3.66599
98 3RO7 TDR 0.003094 0.42087 3.77358
99 3CXQ GLP 0.005373 0.40917 3.80435
100 3JYN NDP 0.003023 0.42798 3.91304
101 4FWE FAD 0.005527 0.42787 3.91304
102 1M5B BN1 0.01008 0.42635 3.91304
103 1WXI AMP 0.006029 0.42242 3.91304
104 1WVC CTP 0.0302 0.41762 3.91304
105 1E7S NAP 0.007268 0.41137 3.91304
106 1NHZ 486 0.005063 0.40467 3.91304
107 2WQP WQP 0.008033 0.40308 3.91304
108 3DAG FEG 0.007778 0.40219 3.91304
109 3L4N GSH 0.0004049 0.48606 3.93701
110 1DR1 NAP 0.002528 0.43586 4.2328
111 1DR1 HBI 0.002528 0.43586 4.2328
112 3S9K CIT 0.001502 0.48434 4.23729
113 2VBQ BSJ 0.002859 0.43018 4.24242
114 1LSS NAD 0.001734 0.42069 4.28571
115 2XDQ MGX 0.0007122 0.47873 4.34783
116 3U4C NDP 0.0002086 0.46874 4.34783
117 3PJU C2E 0.001701 0.4296 4.34783
118 1DSS NAD 0.001555 0.42953 4.34783
119 1NZY BCA 0.004219 0.41554 4.34783
120 3PVT 3HC 0.008276 0.41469 4.34783
121 2NLI LAC 0.01563 0.41375 4.34783
122 2NLI FMN 0.01563 0.41375 4.34783
123 3V91 UPG 0.02031 0.40734 4.34783
124 3CKJ CIT 0.006767 0.40602 4.34783
125 2JBH 5GP 0.001609 0.41908 4.44444
126 2VEZ G6P 0.003929 0.41953 4.73684
127 2VEZ ACO 0.003988 0.41792 4.73684
128 1Z44 NPO 0.003811 0.46229 4.78261
129 3FC4 EDO 0.003117 0.44614 4.78261
130 3NKS FAD 0.003949 0.4279 4.78261
131 4IU0 ABH 0.001461 0.4254 4.78261
132 2P1O IHP 0.00405 0.41901 4.78261
133 2P1O NLA 0.00405 0.41901 4.78261
134 1I2B UPG 0.01663 0.41552 4.78261
135 1I2B NAD 0.01663 0.41552 4.78261
136 1I2B USQ 0.01663 0.41552 4.78261
137 3FED BIX 0.001922 0.41293 4.78261
138 3D3W NAP 0.006547 0.41196 4.78261
139 3MPI GRA 0.02012 0.41122 4.78261
140 1H6C SIN 0.013 0.40859 4.78261
141 3KMZ EQO 0.005608 0.40775 4.78261
142 1RYD NDP 0.01619 0.40267 4.78261
143 4RJK PYR 0.02052 0.401 4.78261
144 3CQD ATP 0.01813 0.40064 4.78261
145 4FDV 0UK 0.005294 0.41692 4.78469
146 1V7R CIT 0.01831 0.41729 4.83871
147 3BW2 FMN 0.01115 0.40142 4.87805
148 1Q0H NDP 0.0005412 0.47418 5.21739
149 1Q0H FOM 0.0004857 0.47418 5.21739
150 1TDF FAD 0.005513 0.4306 5.21739
151 2H6B 3C4 0.0134 0.41958 5.21739
152 1TDF NAP 0.02472 0.41654 5.21739
153 2PTZ PAH 0.001423 0.41553 5.21739
154 1TIW TFB 0.01305 0.40754 5.21739
155 1TIW FAD 0.01305 0.40754 5.21739
156 2C7G ODP 0.02829 0.40548 5.21739
157 3TKA SAM 0.004433 0.40513 5.21739
158 2C7G FAD 0.03002 0.40502 5.21739
159 1WNG SAH 0.004 0.40499 5.21739
160 1DRV A3D 0.02866 0.40093 5.21739
161 3HZS M0E 0.01865 0.4039 5.26316
162 4IAE 1DX 0.01031 0.4211 5.29101
163 3PC3 P1T 0.005477 0.40162 5.31309
164 4K30 NLG 0.004363 0.40741 5.625
165 4COQ SAN 0.001229 0.44266 5.65217
166 4DEM YS4 0.01442 0.43128 5.65217
167 1D3V ABH 0.0021 0.42443 5.65217
168 4KQL 1SG 0.01744 0.4186 5.65217
169 3MMR ABH 0.003079 0.41794 5.65217
170 4DEC UDP 0.005124 0.41077 5.65217
171 4DEC 3PG 0.005124 0.41077 5.65217
172 2PWY SAH 0.004054 0.41007 5.65217
173 2HW1 ANP 0.004212 0.40598 5.65217
174 3TN7 NJP 0.009657 0.40518 5.65217
175 1LTH NAD 0.02765 0.40453 5.65217
176 1XHL NDP 0.001081 0.44468 6.08696
177 4NE2 SH2 0.001375 0.44432 6.08696
178 4NE2 ADP 0.001191 0.44432 6.08696
179 1SB8 UD2 0.006614 0.43132 6.08696
180 1SB8 NAD 0.005554 0.43132 6.08696
181 1UXG FUM 0.005536 0.42293 6.08696
182 1UXG NAD 0.005536 0.42293 6.08696
183 2BJK NAD 0.01165 0.42111 6.08696
184 3RHZ UDP 0.003398 0.40573 6.08696
185 9LDT NAD 0.01122 0.40256 6.08696
186 2EWM NAD 0.01157 0.40201 6.08696
187 9LDB NAD 0.01199 0.4014 6.08696
188 4F8L GAL 0.004278 0.4596 6.2069
189 4AGS GSH 0.0006534 0.47142 6.52174
190 2HGS ADP 0.0006675 0.43845 6.52174
191 2V6O FAD 0.0158 0.42636 6.52174
192 1V35 NAI 0.01533 0.40746 6.52174
193 1H82 FAD 0.0185 0.41488 6.95652
194 1H82 GZZ 0.0205 0.41488 6.95652
195 2PNZ UDP 0.006528 0.40517 6.95652
196 1GSA GSH 0.004525 0.40105 6.95652
197 1XE7 GUN 0.02046 0.40755 7.38916
198 2NCD ADP 0.0005935 0.44898 7.3913
199 2PUL ACP 0.00135 0.41639 7.3913
200 4QN6 LNV 0.01059 0.41027 7.3913
201 4CKU P2F 0.0281 0.40129 7.3913
202 3QDT A2G GAL 0.02122 0.40031 7.69231
203 1M0U GSH 0.0001393 0.50957 7.82609
204 1GWC GTX 0.0002967 0.47543 7.82609
205 1RZM E4P 0.004675 0.42406 7.82609
206 2AG8 NAP 0.005379 0.40192 7.82609
207 1HFS L04 0.01286 0.40136 8.125
208 4PO2 ASN ARG LEU LEU LEU THR GLY 0.001336 0.4269 8.26087
209 1OYJ GSH 0.0002686 0.49455 8.65801
210 4C12 ADP 0.01748 0.41315 8.69565
211 4CMF PXG 0.02759 0.40313 8.69565
212 3ACC 5GP 0.001153 0.40215 8.83978
213 3F8C HT1 0.006226 0.4065 9.52381
214 4GYW UDP 0.008798 0.4092 9.56522
215 2D2I NAP 0.005488 0.40658 9.56522
216 3B20 NAD 0.006358 0.40562 9.56522
217 2V5E SCR 0.006255 0.44118 9.90099
218 1T57 FMN 0.001388 0.42625 10
219 3UIE ADX 0.001696 0.41035 10
220 2Q8H TF4 0.02202 0.40598 10
221 1FIQ FAD 0.01428 0.40177 10
222 3ZS7 ATP 0.006401 0.40075 10
223 1PFK ADP 0.003643 0.40041 10
224 2E2R 2OH 0.002299 0.43402 10.4348
225 2GSD NAD 0.01259 0.40509 10.8696
226 3VPQ GSH 0.00001694 0.56118 11.2745
227 1CSI CMX 0.001491 0.44752 11.3043
228 1CSI OAA 0.001491 0.44752 11.3043
229 1G7V PAI 0.008717 0.41579 11.3043
230 1ZFJ IMP 0.04424 0.41427 11.3043
231 4QVH COA 0.005539 0.41016 11.3043
232 1FW1 GSH 0.000214 0.46482 11.5741
233 3TCT 3MI 0.03399 0.40063 11.811
234 4IZC 1GZ 0.02696 0.4032 12.1739
235 1MVN PCO 0.01652 0.41668 12.4402
236 1C0I FAD 0.004478 0.43353 12.6087
237 1C0I BE2 0.004478 0.43353 12.6087
238 2YVF NAD 0.02279 0.41348 13.0435
239 2YVF FAD 0.03578 0.4042 13.0435
240 1WVG APR 0.0004488 0.4506 13.4783
241 4QED NAP 0.002839 0.42517 13.913
242 2JAC GSH 0.001259 0.46156 14.5455
243 3Q9T FAY 0.004666 0.42599 15.2174
244 1A5Z OXM 0.02081 0.40071 15.6522
245 1ULE GLA GAL NAG 0.0007041 0.4695 16
246 3IBH GSH 0.0004486 0.47342 16.087
247 2AQJ FAD 0.03475 0.40415 16.087
248 2AMV BIN 0.02218 0.40722 16.5217
249 1ZL9 GSH 0.00004383 0.43836 16.9082
250 1SS4 GSH 0.001517 0.48907 16.9935
251 2V6K TGG 0.0003855 0.47433 17.2897
252 1QF5 RPL 0.01008 0.42031 17.3913
253 1QF5 GDP 0.01008 0.42031 17.3913
254 1TU7 GSH 0.0006413 0.44534 17.7885
255 1DXY NAD 0.04396 0.41276 18.2609
256 3IK7 BOB 0.003467 0.40105 19.3694
257 1K0D GSH 0.001345 0.44439 20
258 4USS GSH 0.0002356 0.49337 20.8696
259 2AAW GTX 0.001773 0.44519 23.4234
260 2AE2 PTO 0.01219 0.4107 24.3478
261 2AE2 NAP 0.01219 0.4107 24.3478
262 2C3Q GTX 0.0006169 0.45497 24.7826
263 4IS0 GDS 0.0006026 0.46295 25.6522
264 4IS0 1R4 0.0009966 0.46094 25.6522
265 2YJ0 COA 0.01568 0.40613 26.087
266 2YJ0 420 0.03891 0.40007 26.087
267 1R5A GTS 0.0002955 0.45558 27.0642
268 4USQ FAD 0.01266 0.4039 27.8261
269 3GST GPR 0.004807 0.43309 29.0323
270 3F6D GTX 0.0005036 0.46659 30.5936
271 3GX0 GDS 0.001119 0.40615 31.6279
272 1PN9 GTX 0.0007388 0.46105 32.0574
273 2IMI GSH 0.0002937 0.47754 32.5792
274 2GSR GTS 0.0011 0.45426 33.8164
275 1JLV GSH 0.0004942 0.44547 33.9713
276 3VWX GSH 0.0001101 0.50974 34.2342
277 3O76 GTB 0.001409 0.44571 34.4498
278 1PD2 GSH 0.00002813 0.46153 37.1859
279 1GSU GTX 0.004891 0.4161 37.4429
280 1V2A GTS 0.001479 0.41192 38.0952
281 2HNL GSH 0.002987 0.41395 38.2222
282 1O9U ADZ 0.006858 0.4308 38.8889
283 2PVQ GSH 0.0005548 0.42992 41.2935
284 1AXD GGL CYW GLY 0.00002504 0.5416 42.1053
285 1N2A GTS 0.001382 0.44144 43.2836
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