Receptor
PDB id Resolution Class Description Source Keywords
4OB6 1.7 Å EC: 3.1.1.1 COMPLEX STRUCTURE OF ESTERASE RPPE S159A/W187H AND SUBSTRATE CPA PSEUDOMONAS A/B HYDROLASE FOLD ESTERASE HSL-LIKE FAMILY HYDROLASE
Ref.: CRYSTAL STRUCTURES OF PSEUDOMONAS PUTIDA ESTERASE R FUNCTIONAL ROLE OF RESIDUES 187 AND 287 IN SUBSTRAT AND CHIRAL RECOGNITION BIOCHEM.BIOPHYS.RES.COMMUN. V. 446 1145 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
S2T A:401;
A:402;
A:403;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
228.629 C10 H9 Cl O4 CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OB6 1.7 Å EC: 3.1.1.1 COMPLEX STRUCTURE OF ESTERASE RPPE S159A/W187H AND SUBSTRATE CPA PSEUDOMONAS A/B HYDROLASE FOLD ESTERASE HSL-LIKE FAMILY HYDROLASE
Ref.: CRYSTAL STRUCTURES OF PSEUDOMONAS PUTIDA ESTERASE R FUNCTIONAL ROLE OF RESIDUES 187 AND 287 IN SUBSTRAT AND CHIRAL RECOGNITION BIOCHEM.BIOPHYS.RES.COMMUN. V. 446 1145 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4OU4 - S2T C10 H9 Cl O4 CC(=O)O[C@....
2 4OB6 - S2T C10 H9 Cl O4 CC(=O)O[C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4OU4 - S2T C10 H9 Cl O4 CC(=O)O[C@....
2 4OB6 - S2T C10 H9 Cl O4 CC(=O)O[C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4OU4 - S2T C10 H9 Cl O4 CC(=O)O[C@....
2 4OB6 - S2T C10 H9 Cl O4 CC(=O)O[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: S2T; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 S2T 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OB6; Ligand: S2T; Similar sites found: 675
This union binding pocket(no: 1) in the query (biounit: 4ob6.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.001049 0.4973 None
2 4B8V NDG NAG NAG NAG 0.0007083 0.43453 None
3 1MXI SAH 0.00009125 0.43388 None
4 2ALG DAO 0.0006948 0.42582 None
5 2ALG HP6 0.0006948 0.42582 None
6 3KMT SAH 0.001215 0.41321 None
7 2QCX PF1 0.001013 0.44432 1.14068
8 4LSJ LSJ 0.00009123 0.45752 1.16279
9 1E5F PLP 0.0004666 0.42308 1.17302
10 2QV7 ADP 0.001945 0.40146 1.17302
11 3PXP MYR 0.0004231 0.42698 1.36986
12 4KQI RBZ 0.00006641 0.47957 1.46628
13 4KQI NIO 0.00006641 0.47957 1.46628
14 3TXO 07U 0.0002683 0.42704 1.46628
15 3OIG NAD 0.00722 0.42622 1.46628
16 2F2U M77 0.001177 0.42378 1.46628
17 2YVF NAD 0.01307 0.41684 1.46628
18 2YVF FAD 0.01261 0.41684 1.46628
19 3DNT ATP 0.001886 0.41383 1.46628
20 4IOK ADP 0.004264 0.40559 1.46628
21 1HEX NAD 0.006199 0.40096 1.46628
22 4O1M NAD 0.006515 0.40284 1.5873
23 3CQD ATP 0.002083 0.43032 1.61812
24 3GEG NAD 0.003486 0.41031 1.61943
25 2GJ3 FAD 0.005535 0.40616 1.66667
26 2A0W DIH 0.009536 0.40079 1.7301
27 3V1U NAD 0.001823 0.41771 1.7316
28 1ME8 RVP 0.001424 0.46612 1.75953
29 3NYQ AMP 0.001353 0.43268 1.75953
30 4IVG ANP 0.00502 0.42668 1.75953
31 3NYQ MCA 0.001958 0.42525 1.75953
32 3GWT 066 0.002291 0.42134 1.75953
33 2EJU SAH 0.001067 0.41504 1.75953
34 1WVG APR 0.002257 0.41429 1.75953
35 1HV9 UD1 0.00781 0.40235 1.75953
36 3FSJ D7K 0.03569 0.40196 1.75953
37 1HV9 COA 0.01797 0.40144 1.75953
38 3I0O ADP 0.0002504 0.44946 1.76991
39 3I0O SMI 0.002071 0.43121 1.76991
40 2BGM NAJ 0.00604 0.42801 1.79856
41 2B4Q NAP 0.003469 0.41318 1.81159
42 1RHC F42 ACN 0.002134 0.42114 1.81818
43 4CKU P2F 0.001138 0.45094 1.82371
44 1QS8 IVA VAL VAL STA ALA STA 0.0005796 0.43062 1.82371
45 4D7M TDC 0.003911 0.40698 1.84332
46 3QQA TCH 0.002112 0.41028 1.85185
47 1H65 GDP 0.002233 0.40757 1.85185
48 3F8D FAD 0.04167 0.41395 1.85759
49 1T26 NAI 0.04362 0.40762 1.86335
50 1T26 GBD 0.04362 0.40762 1.86335
51 3RFV NAI 0.002775 0.414 1.87266
52 1FS5 TLA 0.005769 0.40142 1.8797
53 2DTX BMA 0.0003465 0.46303 1.89394
54 4NVP 7CH 0.004681 0.41441 1.91388
55 1HYE NAP 0.001019 0.42357 1.91693
56 2Q2V NAD 0.001259 0.43388 1.96078
57 1NUS APC 0.006836 0.41328 1.98413
58 1NUS NMN 0.008478 0.41328 1.98413
59 2Q1A 2KT 0.002089 0.41045 2.04778
60 1IM8 SAI 0.0001203 0.4532 2.04918
61 2PT9 2MH 0.00009633 0.47801 2.05279
62 2PT9 S4M 0.00004621 0.47659 2.05279
63 2Q28 ADP 0.001208 0.41519 2.05279
64 2H6T IVA VAL VAL STA ALA STA 0.001479 0.40786 2.05882
65 1KHT AMP 0.0003513 0.4038 2.08333
66 1DSS NAD 0.0003045 0.44639 2.1021
67 3SFI 3SF 0.003785 0.42339 2.11864
68 1NHZ 486 0.003734 0.4013 2.14286
69 4CMF PXG 0.01536 0.40696 2.17391
70 3C1O NAP 0.004572 0.40141 2.18069
71 2DVZ GLU 0.0008267 0.40047 2.2293
72 4WX0 HXD 0.0001846 0.43712 2.28137
73 2PWY SAH 0.001166 0.42144 2.32558
74 2V6O FAD 0.003036 0.44972 2.34604
75 4N02 FNR 0.001783 0.44659 2.34604
76 2YGN PCF 0.000508 0.4431 2.34604
77 4KQL 1SG 0.005081 0.43393 2.34604
78 4AF0 IMP 0.003921 0.42933 2.34604
79 4LCQ URQ 0.001326 0.42747 2.34604
80 3A1I UNU 0.0009461 0.42741 2.34604
81 2XCG XCG 0.00148 0.42713 2.34604
82 2BII MTV 0.00116 0.42153 2.34604
83 1UMP SQA 0.001675 0.41907 2.34604
84 3DG6 MUC 0.0004828 0.41844 2.34604
85 4TSK NDP 0.01084 0.41754 2.34604
86 1PEA ACM 0.01177 0.41667 2.34604
87 4J7H TLO 0.002035 0.40902 2.34604
88 1PGP 6PG 0.006967 0.40883 2.34604
89 3A2Q ACA ACA 0.001406 0.40864 2.34604
90 3T1A 5MA 0.001989 0.40544 2.34604
91 1O6B ADP 0.006678 0.41742 2.36686
92 2OI2 DP6 0.000905 0.4052 2.39726
93 2YBQ UP2 0.00948 0.40364 2.39726
94 1V35 NAI 0.0002427 0.47145 2.43161
95 4CFS HQD 0.005476 0.41603 2.43902
96 3EE4 MYR 0.002497 0.40583 2.47678
97 3IL6 B83 0.0005183 0.42832 2.49221
98 1WM1 PTB 0.003207 0.41297 2.52366
99 1I52 CTP 0.000755 0.43815 2.54237
100 1KGQ SCO 0.01768 0.41824 2.55474
101 1KGQ NPI 0.01694 0.41824 2.55474
102 2VAR KDF 0.001062 0.40136 2.55591
103 1I2L DCS 0.0005335 0.40392 2.60223
104 3MAG 3MA 0.001622 0.47597 2.60586
105 1G8S MET 0.0005382 0.4633 2.6087
106 2HGZ PBF 0.0002971 0.44497 2.61438
107 2YC5 6BC 0.0008474 0.44304 2.63158
108 1E4E ADP 0.00008451 0.45407 2.6393
109 1RYI FAD 0.0006733 0.45398 2.6393
110 2BLE 5GP 0.00177 0.45148 2.6393
111 1RYI GOA 0.0009311 0.45053 2.6393
112 3ZPG 5GP 0.003638 0.44888 2.6393
113 2IXB A2G 0.001149 0.44152 2.6393
114 2IXB NAD 0.0007664 0.43935 2.6393
115 3PC3 P1T 0.0005817 0.42859 2.6393
116 1H6C NDP 0.002352 0.42827 2.6393
117 4GYW UDP 0.001662 0.42797 2.6393
118 1RYD NDP 0.002498 0.42725 2.6393
119 1Y42 TYR 0.002166 0.42441 2.6393
120 1H6C SIN 0.003604 0.42319 2.6393
121 1YAG ATP 0.001154 0.4216 2.6393
122 1QPB TPP 0.001674 0.42067 2.6393
123 1QPB PYM 0.001674 0.42067 2.6393
124 1CSI OAA 0.009807 0.40612 2.6393
125 1CSI CMX 0.009807 0.40612 2.6393
126 3ZRR PXG 0.002183 0.40601 2.6393
127 3M31 FAD 0.003113 0.40589 2.6393
128 1QW9 KHP 0.004144 0.40454 2.6393
129 2Q8H TF4 0.01606 0.4043 2.6393
130 2PUL ACP 0.001627 0.40417 2.6393
131 3LPF Z77 0.004781 0.40374 2.6393
132 3RO7 TDR 0.03307 0.41337 2.64151
133 3ROE THM 0.01192 0.4043 2.64151
134 3ULK NDP 0.003567 0.40203 2.64766
135 2OHV NHL 0.0004123 0.40263 2.65152
136 1R6D NAD 0.002909 0.43875 2.67062
137 1R6D DAU 0.0118 0.41314 2.67062
138 4CO3 ATP 0.00998 0.40774 2.67857
139 3MCT SAH 0.001221 0.41701 2.6936
140 3H22 B53 0.000732 0.41092 2.6936
141 4PLG OXM 0.0001569 0.47396 2.69461
142 4PLG NAI 0.0001569 0.47396 2.69461
143 1CKM GTP 0.002173 0.40609 2.72727
144 4IMG NGF 0.0006423 0.42499 2.73038
145 1OMZ UD2 0.01675 0.40057 2.73038
146 3L0E G58 0.0004556 0.44164 2.7668
147 2XK9 XK9 0.006565 0.4076 2.79503
148 3QV9 QV7 0.0008683 0.44715 2.80561
149 3PJU C2E 0.004381 0.40515 2.81124
150 2E2R 2OH 0.003354 0.41882 2.86885
151 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.006573 0.42153 2.88462
152 1BDB NAD 0.009106 0.42832 2.88809
153 3TO7 COA 0.009985 0.40482 2.89855
154 1LVL FAD 0.0002447 0.47357 2.93255
155 1TDF NAP 0.001447 0.46209 2.93255
156 1TDF FAD 0.0007504 0.45726 2.93255
157 1Q3Q ANP 0.001589 0.45188 2.93255
158 2ZB3 NDP 0.0004611 0.44468 2.93255
159 2AMV BIN 0.002512 0.43886 2.93255
160 2EFJ SAH 0.000329 0.43082 2.93255
161 1TFZ 869 0.0006555 0.42468 2.93255
162 3VET TOY 0.02075 0.42451 2.93255
163 2PZM NAD 0.01287 0.42382 2.93255
164 3VET ADP 0.03032 0.41074 2.93255
165 1JIL 485 0.001679 0.41008 2.93255
166 4C3Y ANB 0.03792 0.40287 2.93255
167 3B20 NAD 0.00388 0.4056 2.94985
168 2P41 SAH 0.00115 0.41389 2.95082
169 1L2T ATP 0.001354 0.41908 2.97872
170 1I0Z OXM 0.0001854 0.51266 3.003
171 2HW1 ANP 0.00126 0.41652 3.02013
172 1LDM NAD 0.01357 0.41741 3.03951
173 1XIU REA 0.0008741 0.4159 3.04348
174 2QIA U20 0.00625 0.42479 3.05344
175 2Z9V PXM 0.0001851 0.46798 3.06122
176 1P9P SAH 0.0005467 0.43154 3.06513
177 3V91 UPG 0.008794 0.41519 3.09278
178 1D3V ABH 0.002312 0.4139 3.09598
179 1SB8 UD2 0.0006037 0.46572 3.125
180 1SB8 NAD 0.01294 0.42707 3.125
181 1GSA GSH 0.0005898 0.42416 3.16456
182 2Y7G AAE 0.0004749 0.42281 3.19149
183 1TRD PGH 0.0001335 0.43078 3.2
184 2Q1S NAI 0.0007369 0.45456 3.22581
185 2YB9 HA0 0.0007695 0.43784 3.22581
186 4DEC UDP 0.0006364 0.43626 3.22581
187 4DEC 3PG 0.0006364 0.43626 3.22581
188 2NXW TPP 0.001071 0.43522 3.22581
189 9LDT NAD 0.001039 0.43435 3.22581
190 1LCP PLU 0.0007581 0.43177 3.22581
191 2RGH FAD 0.002881 0.42805 3.22581
192 1KBJ FMN 0.001106 0.42572 3.22581
193 3I28 34N 0.005044 0.42407 3.22581
194 1VJT NAD 0.0007853 0.42188 3.22581
195 3HAZ FAD 0.002295 0.42131 3.22581
196 3HAZ NAD 0.002846 0.41642 3.22581
197 3P3N AKG 0.006611 0.41559 3.22581
198 1GV0 NAD 0.003051 0.41528 3.22581
199 9LDB NAD 0.003359 0.41504 3.22581
200 3WO0 ALA 0.0055 0.41282 3.22581
201 3WO0 ADP 0.0055 0.41282 3.22581
202 1U5R ATP 0.00106 0.41065 3.22581
203 4M37 SAH 0.001668 0.41019 3.22581
204 4C6F NCD 0.0004152 0.40926 3.22581
205 4C6F DOR 0.0004152 0.40926 3.22581
206 1KOL NAD 0.007298 0.40805 3.22581
207 1KBI FMN 0.004642 0.40421 3.22581
208 1KBI PYR 0.004642 0.40421 3.22581
209 3DAG FEG 0.004939 0.40172 3.22581
210 1P4C FMN 0.03421 0.40164 3.22581
211 1V1A KDG 0.0002045 0.44384 3.23625
212 2G2Y MLI 0.003481 0.45587 3.24675
213 2DWU DGL 0.0001828 0.41329 3.26087
214 1EDO NAP 0.002501 0.45079 3.27869
215 1H9G COA MYR 0.001105 0.42737 3.29218
216 1FM9 570 0.01615 0.40565 3.30882
217 3K3K A8S 0.00007763 0.45776 3.31754
218 3Q3C NAD 0.01785 0.40578 3.34448
219 3NCQ ATP 0.0009241 0.42136 3.36134
220 3FPZ AHZ 0.03804 0.40488 3.37423
221 3S9K CIT 0.01135 0.43339 3.38983
222 1MZV AMP 0.0004304 0.44047 3.40426
223 4HIA FMN 0.01333 0.41428 3.40909
224 2AEB ABH 0.003213 0.40862 3.41615
225 1C4U IH1 0.0006665 0.42336 3.4749
226 2FEQ 34P 0.001212 0.4109 3.4749
227 1NNU TCT 0.01016 0.43066 3.49345
228 1NNU NAD 0.01112 0.42897 3.49345
229 1I2B UPG 0.0004434 0.47295 3.51906
230 1I2B NAD 0.0004434 0.47295 3.51906
231 1I2B USQ 0.0004434 0.47295 3.51906
232 3F3E LEU 0.0003976 0.45827 3.51906
233 3OND ADN 0.002527 0.43701 3.51906
234 3OND NAD 0.002527 0.43701 3.51906
235 3E8N VRA 0.003313 0.42767 3.51906
236 4DEM YS4 0.01477 0.42366 3.51906
237 2TPL HPP 0.001981 0.41638 3.51906
238 3PNL ADP 0.001618 0.41447 3.51906
239 1VR0 3SL 0.0002011 0.41412 3.51906
240 2YHW BM3 0.004058 0.4106 3.51906
241 4LHM AZZ 0.006487 0.41024 3.51906
242 3TKA SAM 0.00213 0.40831 3.51906
243 1XMV ADP 0.01979 0.40321 3.51906
244 4AQL TXC 0.002008 0.40319 3.51906
245 1OWB NAD 0.00727 0.40168 3.51906
246 2PTZ PAH 0.002037 0.40075 3.51906
247 1KYZ FER 0.006378 0.4005 3.51906
248 1VE3 SAM 0.0003303 0.43309 3.52423
249 1FL2 FAD 0.0008266 0.44937 3.54839
250 3ZV6 NAD 0.03489 0.40064 3.55872
251 3ZV6 4HB 0.03628 0.40064 3.55872
252 1UXG FUM 0.0007987 0.44768 3.55987
253 1UXG NAD 0.0007987 0.44768 3.55987
254 2OD9 A1R NCA 0.001676 0.42509 3.57143
255 2QQF A1R 0.002938 0.41006 3.57143
256 3CF6 SP1 0.001511 0.40529 3.59281
257 3FSY SCA 0.005942 0.41206 3.61446
258 1VQ2 DDN 0.001354 0.40921 3.62694
259 2VBQ BSJ 0.0009197 0.4404 3.63636
260 3DCM SAM 0.0004954 0.42902 3.64583
261 1L3I SAH 0.003779 0.40754 3.64583
262 1V2G OCA 0.000549 0.41079 3.68421
263 1R6W 164 0.001896 0.40184 3.72671
264 2FH5 GTP 0.0006335 0.42521 3.73832
265 1HFS L04 0.001544 0.42919 3.75
266 1L1Q 9DA 0.0008863 0.42 3.76344
267 4FWE FAD 0.0002304 0.47461 3.81232
268 4RJK PYR 0.001527 0.45869 3.81232
269 3UXL CFI 0.0009722 0.44769 3.81232
270 1Q0H NDP 0.002536 0.43695 3.81232
271 2IMP NAI 0.00721 0.436 3.81232
272 1Q0H FOM 0.003 0.43222 3.81232
273 2J0W ADP 0.0004073 0.42756 3.81232
274 1FEC FAD 0.02271 0.41406 3.81232
275 3AYI HCI 0.03438 0.40935 3.81232
276 3AYI FAD 0.03333 0.40935 3.81232
277 2VOH CIT 0.001364 0.45253 3.82166
278 1EP2 ORO 0.0006511 0.44616 3.83142
279 1EP2 FMN 0.002554 0.41535 3.83142
280 1SG4 CO8 0.000773 0.43312 3.84615
281 3CXO 3LR 0.002236 0.41896 3.85542
282 1D6H COA 0.0008864 0.45138 3.87597
283 1D09 PAL 0.04634 0.41033 3.92157
284 3PE6 ZYH 0.004307 0.42391 3.9604
285 3OZG SSI 0.001103 0.41005 4
286 1WXI AMP 0.01049 0.40497 4
287 1F1V DHY 0.003005 0.41325 4.02477
288 3BW2 FMN 0.0003683 0.4499 4.06504
289 1QO0 BMD 0.0008239 0.4552 4.08163
290 1NZY BCA 0.0003107 0.44949 4.08922
291 1N1G BCP 0.002426 0.42543 4.09836
292 3O7B SAH 0.001075 0.41492 4.09836
293 3GE7 AFQ 0.0004956 0.44936 4.10557
294 1X54 4AD 0.000305 0.44455 4.10557
295 1ZK7 FAD 0.00161 0.44303 4.10557
296 1XVV CCQ 0.002032 0.43295 4.10557
297 3ZY6 GFB 0.0005775 0.4287 4.10557
298 2J8Z NAP 0.001418 0.42639 4.10557
299 3HU3 AGS 0.01106 0.41987 4.10557
300 3PLN U5P 0.003621 0.41531 4.10557
301 1UKW FAD 0.005927 0.41264 4.10557
302 2C5S AMP 0.004389 0.40675 4.10557
303 4AXD ANP 0.008952 0.4046 4.10557
304 2YPO PHE 0.0006271 0.44119 4.11255
305 2G86 UMP 0.01088 0.41226 4.11392
306 2WUF KEM 0.000007216 0.50192 4.12371
307 3RHZ UDP 0.001891 0.40622 4.12979
308 2BKA NDP 0.001606 0.42436 4.13223
309 1UDB UFG 0.005223 0.42679 4.14201
310 1UDB NAD 0.04817 0.4005 4.14201
311 3QP6 HL6 0.0007736 0.41096 4.15094
312 1RM4 NDP 0.02432 0.40429 4.1543
313 1GS5 NLG 0.0003062 0.45734 4.26357
314 1GS5 ANP 0.0003062 0.45734 4.26357
315 1ZBQ NAD 0.02116 0.4024 4.28135
316 2WCV FUC 0.0004202 0.40455 4.28571
317 1MVN PCO 0.01953 0.40662 4.30622
318 3ICC NAP 0.001458 0.43013 4.31373
319 3SHR CMP 0.00004077 0.47956 4.34783
320 3F81 STT 0.002659 0.4556 4.37158
321 2FWP CIT 0.00819 0.40034 4.37158
322 1XHL NDP 0.004425 0.41176 4.3771
323 1C1L GAL BGC 0.0006813 0.46667 4.37956
324 1JA9 PYQ 0.003468 0.41181 4.37956
325 1JA9 NDP 0.02363 0.4096 4.37956
326 1H2B NAJ 0.0004428 0.45123 4.39883
327 1KEW TYD 0.004898 0.44976 4.39883
328 1KEW NAD 0.005223 0.44917 4.39883
329 1TUF AZ1 0.0005068 0.43646 4.39883
330 2NP9 YE1 0.001065 0.43532 4.39883
331 2P1O IHP 0.001107 0.43188 4.39883
332 2P1O NLA 0.001107 0.43188 4.39883
333 1QF5 RPL 0.003474 0.43145 4.39883
334 1QF5 GDP 0.003474 0.43145 4.39883
335 1V5F TPP 0.02943 0.42854 4.39883
336 1V5F FAD 0.02943 0.42854 4.39883
337 1FP2 SAH 0.0002939 0.42498 4.39883
338 1I9G SAM 0.005236 0.42254 4.39883
339 2DKH FAD 0.006033 0.40784 4.39883
340 2DKH 3HB 0.008871 0.40784 4.39883
341 2YYJ 4HP 0.03465 0.4076 4.39883
342 2YYJ FAD 0.03465 0.4076 4.39883
343 1WDA BAG 0.005207 0.40382 4.39883
344 2HGS GSH 0.001326 0.4031 4.39883
345 2QA1 FAD 0.006558 0.40875 4.4
346 4COQ SAN 0.001255 0.44721 4.45344
347 2Z9C DTC 0.004677 0.4026 4.5
348 2R40 EPH 0.0006328 0.44178 4.51128
349 2R40 20E 0.002761 0.40946 4.51128
350 3S2Y FMN 0.002123 0.40444 4.52261
351 1OAA OAA 0.0008519 0.45206 4.6332
352 1ULE GLA GAL NAG 0.02619 0.40009 4.66667
353 2CKM AA7 0.0003697 0.49747 4.69208
354 2AQJ TRP 0.0004823 0.47398 4.69208
355 2AQJ FAD 0.0005047 0.47398 4.69208
356 3WE0 FAD 0.0009534 0.45012 4.69208
357 4M5P FMN 0.0005081 0.4307 4.69208
358 2NCD ADP 0.005473 0.41337 4.69208
359 1K6M AGS 0.001847 0.41239 4.69208
360 1B9I PXG 0.002878 0.40713 4.69208
361 2F5T MAL 0.0004496 0.42834 4.72103
362 1RZM PEP 0.00006343 0.48694 4.73373
363 2VEZ G6P 0.001707 0.42479 4.73684
364 2VEZ ACO 0.002691 0.41594 4.73684
365 1XRO LEU 0.007658 0.42583 4.77816
366 4OJ8 2TQ 0.001365 0.41715 4.77816
367 3UEC ALA ARG TPO LYS 0.007625 0.41895 4.79452
368 1GT6 OLA 0.004238 0.41693 4.83271
369 1Q11 TYE 0.0006155 0.44671 4.83871
370 1LYX PGA 0.0005109 0.41721 4.83871
371 1DQX BMP 0.01243 0.40115 4.86891
372 3K56 IS3 0.0005337 0.41632 4.88722
373 1WNG SAH 0.001173 0.41565 4.90566
374 1M5B BN1 0.00235 0.44489 4.94297
375 4E13 NAD 0.0002127 0.44431 4.947
376 2OYS FMN 0.0009666 0.42066 4.95868
377 2XVE FAD 0.001448 0.45658 4.98534
378 1H82 FAD 0.003593 0.4373 4.98534
379 1H82 GZZ 0.004056 0.4373 4.98534
380 1ZFJ IMP 0.01416 0.43006 4.98534
381 2XVF FAD 0.002425 0.42775 4.98534
382 4CNK FAD 0.02742 0.40584 4.98534
383 3MBG FAD 0.005113 0.40117 5.03597
384 1LBT T80 0.01003 0.402 5.04732
385 3IBH GSH 0.000675 0.42422 5.15021
386 4TMK T5A 0.006758 0.40475 5.16432
387 2RDT FMN 0.008146 0.42121 5.16796
388 2RDT 2RD 0.02389 0.40826 5.16796
389 1QY1 PRZ 0.0007954 0.4237 5.17241
390 1IYE PGU 0.0003594 0.45181 5.17799
391 3H86 AP5 0.02432 0.40061 5.20833
392 4UAL 3FV 0.0001269 0.44537 5.2506
393 3O03 NAP 0.001558 0.42183 5.27859
394 1SOW NAD 0.003979 0.41352 5.27859
395 1ZGA HMK 0.0008974 0.40722 5.27859
396 3QM1 ZYC 0.004785 0.41876 5.28302
397 2J7T 274 0.0008937 0.4339 5.29801
398 2PR5 FMN 0.00001026 0.46326 5.30303
399 4JWX 1N4 0.002092 0.42503 5.35714
400 2AE2 NAP 0.004096 0.42204 5.38462
401 2AE2 PTO 0.004096 0.42204 5.38462
402 1JCM 137 0.006688 0.40109 5.40541
403 3F8C HT1 0.0007948 0.44877 5.55556
404 2QLX RM4 0.005586 0.42511 5.55556
405 1GR0 NAD 0.0001474 0.5054 5.57185
406 1YBH FAD 0.0003402 0.46334 5.57185
407 1YB5 NAP 0.0006275 0.44678 5.57185
408 2R14 FMN 0.0009097 0.4305 5.57185
409 3MPI GRA 0.01136 0.41455 5.57185
410 2WQP WQP 0.003223 0.4101 5.57185
411 4OYA 1VE 0.04682 0.40785 5.57185
412 3GD4 FAD 0.04356 0.40667 5.57185
413 1YBH P22 0.01084 0.40627 5.57185
414 2R14 TXD 0.00629 0.4047 5.57185
415 1F3L SAH 0.0009292 0.42319 5.60748
416 2ZL4 ALA ALA ALA ALA 0.01149 0.41234 5.61225
417 1G0N PHH 0.0003941 0.46315 5.65371
418 1G0N NDP 0.002439 0.42876 5.65371
419 1JUV NDP 0.002386 0.41496 5.69948
420 4GLJ RHB 0.007059 0.40403 5.72391
421 1U7Z PMT 0.0001229 0.4725 5.75221
422 1T0I FMN 0.0003273 0.43323 5.75916
423 1AUX AGS 0.0007016 0.41926 5.78778
424 1NF8 ISC 0.0009606 0.40292 5.7971
425 1DR1 HBI 0.007722 0.40816 5.82011
426 1DR1 NAP 0.007722 0.40816 5.82011
427 1XLI GLT 0.006348 0.40699 5.83756
428 1C0I FAD 0.0004758 0.46419 5.8651
429 1C0I BE2 0.0004758 0.46419 5.8651
430 2NVK FAD 0.0004946 0.45926 5.8651
431 4CS4 AXZ 0.003319 0.4286 5.8651
432 4CS4 ANP 0.002761 0.42555 5.8651
433 1JQI CAA 0.001025 0.42525 5.8651
434 2C31 ADP 0.01093 0.42496 5.8651
435 1JQI FAD 0.002679 0.42493 5.8651
436 2C31 TZD 0.01354 0.42157 5.8651
437 2QS8 MET 0.002854 0.41206 5.8651
438 2BJK NAD 0.01775 0.40624 5.8651
439 4IAE 1DX 0.01686 0.40493 5.8651
440 2J9D ADP 0.007919 0.41012 5.88235
441 4KU7 PCG 0.007676 0.4092 5.88235
442 2Y7P SAL 0.001113 0.43622 5.9633
443 1NVV GNP 0.0005666 0.43644 6.0241
444 1NVU GTP 0.003767 0.43494 6.0241
445 4QED NAP 0.004102 0.41043 6.04839
446 3ZEI AWH 0.002508 0.41709 6.12903
447 2ZQO NGA 0.01206 0.40067 6.15385
448 4DYO SD4 0.0004536 0.44565 6.15836
449 4NES UDP 0.0004734 0.42526 6.15836
450 2NLI FMN 0.009611 0.41524 6.15836
451 2NLI LAC 0.009611 0.41524 6.15836
452 1WL4 COA 0.009336 0.41072 6.15836
453 3DER ALA LYS 0.00184 0.4106 6.15836
454 1SQ5 PAU 0.002714 0.42042 6.16883
455 1SQ5 ADP 0.001147 0.41901 6.16883
456 3ITJ FAD 0.01517 0.4244 6.21302
457 2BNF UTP 0.003314 0.42356 6.22407
458 1Y9Q MED 0.001795 0.4404 6.25
459 3IU9 T07 0.008493 0.42261 6.25
460 1JYQ MAZ PTR PTM ASN 0.007136 0.42049 6.25
461 1T8U A3P 0.001108 0.41654 6.25
462 1T8U UAP SGN IDS SGN 0.007792 0.40904 6.25
463 3QDT A2G GAL 0.002968 0.44503 6.29371
464 2F01 BTN 0.01745 0.41343 6.29921
465 2F01 BTQ 0.01926 0.41163 6.29921
466 3BY8 MLT 0.0005182 0.47207 6.33803
467 2C1Q BTN 0.002885 0.42698 6.34921
468 2ZSC BTN 0.0008061 0.41043 6.38298
469 1LSS NAD 0.002209 0.40774 6.42857
470 4AT0 FAD 0.000543 0.46387 6.45161
471 1O9U ADZ 0.006011 0.43809 6.45161
472 2PTR 2SA 0.00153 0.42212 6.45161
473 2IYG FMN 0.001401 0.4158 6.45161
474 4MZ7 DTP 0.003693 0.41215 6.45161
475 4MZ7 DGT 0.003775 0.41179 6.45161
476 3MMR ABH 0.003001 0.40972 6.45161
477 4EPM AMP 0.003906 0.40229 6.45161
478 4QCK ASD 0.00508 0.40127 6.45161
479 3W54 RNB 0.001466 0.40122 6.45161
480 3BF8 MLA 0.02602 0.40029 6.45161
481 3PFG TLO 0.0079 0.4108 6.46388
482 3PFG SAM 0.0079 0.4108 6.46388
483 1I7L ATP 0.0006225 0.43138 6.47249
484 1SS4 CIT 0.01861 0.41868 6.53595
485 1SS4 GSH 0.03274 0.41533 6.53595
486 1PR9 NAP 0.0003864 0.45348 6.55738
487 3D3W NAP 0.006893 0.40319 6.55738
488 2P2V CSF 0.00684 0.42123 6.59722
489 1UF5 CDT 0.002984 0.40835 6.60066
490 1YRX FMN 0.00153 0.40961 6.61157
491 2B82 ADN 0.002737 0.40439 6.63507
492 2BNE U5P 0.0009837 0.43863 6.639
493 3Q9T FAY 0.0004553 0.4572 6.74487
494 2HXT EHM 0.0002159 0.42951 6.74487
495 2PP3 LGT 0.0005773 0.42481 6.74487
496 4U9W COA 0.000672 0.42324 6.76329
497 3N5O GSH 0.001304 0.41195 6.80851
498 1WUR 8DG 0.002182 0.40977 6.81818
499 4INB 1F6 0.00009723 0.45427 6.84932
500 3FC2 IBI 0.0002337 0.45734 6.86567
501 1YOA FMN 0.01076 0.44242 6.91824
502 1EXB NDP 0.005451 0.43776 6.92771
503 1HDR NAD 0.00366 0.4314 6.96721
504 1TUV VK3 0.00892 0.42961 7.01754
505 1TU3 GNP 0.001648 0.41933 7.01754
506 2J07 HDF 0.0008238 0.45753 7.03812
507 2J07 FAD 0.0008238 0.45753 7.03812
508 4A8H PUW 0.001513 0.42747 7.03812
509 1O7N IND 0.001688 0.4138 7.03812
510 1P9B IMO 0.002229 0.41287 7.03812
511 4Q3R XA2 0.004964 0.40164 7.03812
512 3JYN NDP 0.001477 0.43123 7.07692
513 4A8T PAO 0.001073 0.46198 7.07965
514 1MQ0 BRD 0.0005417 0.41613 7.14286
515 1Y52 BTN 0.01215 0.40435 7.14286
516 3PNA CMP 0.01601 0.40226 7.14286
517 3WBF NAP 0.001728 0.42316 7.21311
518 3WBF API 0.004007 0.41465 7.21311
519 3LZW FAD 0.00158 0.43612 7.22892
520 3LZW NAP 0.00628 0.42803 7.22892
521 4FR3 LYS ARG ARG LYS SEP VAL 0.01857 0.41462 7.26496
522 4FR3 0V4 0.01857 0.41462 7.26496
523 3KP6 SAL 0.004795 0.4302 7.28477
524 4DQ2 BTX 0.0002953 0.45194 7.31707
525 1R27 MGD 0.001344 0.43654 7.33138
526 1Z44 NPO 0.02167 0.42582 7.33138
527 1POC GEL 0.001645 0.40624 7.46269
528 4NAT 2W5 0.0002236 0.46798 7.5
529 4NAT ADP 0.001372 0.46798 7.5
530 4K30 NLG 0.0004168 0.45361 7.5
531 2FR6 URI 0.0003441 0.43246 7.53425
532 2FR6 CTN 0.0005358 0.42564 7.53425
533 1ZK4 AC0 0.009989 0.42993 7.56972
534 1ZK4 NAP 0.009989 0.42993 7.56972
535 1GAD NAD 0.003817 0.40737 7.57576
536 2H6B 3C4 0.01053 0.41663 7.6
537 4QDF 30Q 0.0006974 0.43559 7.62463
538 3DGB MUC 0.0007501 0.42584 7.62463
539 1ECC PCP 0.001042 0.42323 7.62463
540 4QDC ASD 0.001649 0.42169 7.62463
541 3NKS FAD 0.003611 0.42102 7.62463
542 2GGH NLQ 0.004771 0.41631 7.62463
543 3NKS ACJ 0.001612 0.4043 7.62463
544 3KO8 NAD 0.0001327 0.46972 7.69231
545 2ZX2 RAM 0.01305 0.41192 7.69231
546 3RF4 FUN 0.001659 0.42914 7.75862
547 1ML4 PAL 0.002991 0.40736 7.79221
548 2XDQ MGX 0.001128 0.47397 7.91789
549 1R18 SAH 0.001437 0.41633 7.92952
550 4JB1 NAP 0.04352 0.4006 7.94118
551 3DDC GNP 0.003052 0.40945 7.97546
552 4R33 SAH 0.003454 0.41712 8.09524
553 4R33 TRP 0.003454 0.41712 8.09524
554 2OWZ F6P 0.001732 0.40545 8.13253
555 1T0S BML 0.000762 0.47297 8.13953
556 1A8R GTP 0.002803 0.40213 8.1448
557 3I51 45C 0.0001912 0.42602 8.14815
558 2VHJ ADP 0.0006138 0.4257 8.1571
559 3QVL 5HY 0.002297 0.44129 8.16327
560 3FXU TSU 0.0003883 0.44071 8.19672
561 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0002599 0.44323 8.21114
562 1OYB FMN 0.000166 0.4015 8.21114
563 3SJ7 NDP 0.006322 0.40201 8.33333
564 4JP3 CIT 0.001435 0.4317 8.3682
565 3ZOD HQE 0.0009976 0.42901 8.37696
566 3ZOD FMN 0.0009976 0.42901 8.37696
567 4BMO FMN 0.003228 0.40855 8.40336
568 3TA2 AKG 0.001178 0.42941 8.47458
569 1SAZ ACP 0.005096 0.44133 8.5044
570 2C7G ODP 0.005018 0.42984 8.5044
571 3PVT 3HC 0.002155 0.42974 8.5044
572 2C7G FAD 0.01336 0.41308 8.5044
573 1BUC CAA 0.002748 0.40953 8.5044
574 1C3V NDP 0.003717 0.41337 8.57143
575 1J5P NAD 0.003286 0.41127 8.69565
576 1X1T NAD 0.0006159 0.47776 8.79765
577 4USQ FAD 0.001881 0.42847 8.79765
578 1NJR XYL 0.00008627 0.47024 8.80282
579 2XBP ATP 0.008741 0.41404 8.84956
580 2QDT I38 0.001078 0.41039 8.92193
581 4BAS GNP 0.003464 0.4007 9.04523
582 1ZJ6 G3D 0.0008429 0.40336 9.09091
583 3ZZS TRP 0.003951 0.41725 9.23077
584 3RK0 AMP 0.0006614 0.40623 9.2827
585 1DXY NAD 0.00177 0.41977 9.30931
586 1A27 NAP 0.0003276 0.45181 9.34256
587 1A27 EST 0.001064 0.4106 9.34256
588 1REO FAD 0.0004824 0.45741 9.38416
589 1E2S CSN 0.0005869 0.41501 9.38416
590 1LTH NAD 0.003638 0.43854 9.40439
591 1B8U OAA 0.008461 0.40102 9.42249
592 2CSN CKI 0.004001 0.4051 9.42761
593 1R37 NAD 0.00487 0.41259 9.51009
594 1TOI HCI 0.0006921 0.43807 9.67742
595 2GSD NAD 0.002229 0.42685 9.67742
596 3GDN FAD 0.02577 0.40803 9.67742
597 3GDN HBX 0.03428 0.40803 9.67742
598 3CEV ARG 0.0004065 0.40596 9.699
599 4MP8 MLI 0.00537 0.41431 9.73451
600 4MP8 NAD 0.00537 0.41431 9.73451
601 2NX1 RP5 0.0003883 0.44587 9.73783
602 1CBF SAH 0.00155 0.4049 9.82456
603 2IMF TOM 0.0009652 0.4262 9.85222
604 2IMF GSH 0.0009652 0.4262 9.85222
605 4C0X AQN 0.002122 0.4226 9.85222
606 4C0X FMN 0.001776 0.41971 9.85222
607 3TFC PEP 0.00002994 0.4308 9.97067
608 1M7Y PPG 0.004705 0.40818 9.97067
609 1KYV RBF 0.001844 0.40449 10.0629
610 4EKV BTN 0.009002 0.40117 10.0629
611 1A8S PPI 0.0001389 0.51689 10.2564
612 4CCO OGA 0.0001213 0.47546 10.2639
613 4HZO COA 0.00003569 0.42761 10.2639
614 4K5S FAD 0.003637 0.41626 10.2639
615 4K5S PM0 0.00867 0.41626 10.2639
616 4KCF AKM 0.0006157 0.43155 10.5572
617 2GDZ NAD 0.001535 0.42653 10.5572
618 4KCF FMN 0.01212 0.40052 10.5572
619 1T57 FMN 0.0004275 0.4354 10.6796
620 4NM5 ADP 0.00143 0.41641 10.8504
621 3T31 FAD 0.001434 0.45211 10.984
622 3T31 DCQ 0.001568 0.45211 10.984
623 4G87 UD1 0.00269 0.43457 11.1437
624 3VPD ANP 0.0008454 0.42275 11.3879
625 1DLJ NAI 0.004053 0.43045 11.4369
626 4W6Z 8ID 0.002087 0.42913 11.4369
627 1DLJ UGA 0.004922 0.42703 11.4369
628 2HU5 GLY PHE 0.006555 0.40027 11.4369
629 3FC4 EDO 0.004497 0.43102 11.7302
630 3BL6 FMC 0.001527 0.40952 11.7391
631 4G4S LDZ 0.001388 0.40883 11.9048
632 1N6B DMZ 0.003087 0.42367 12.0235
633 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.002544 0.43018 12.3167
634 4NTD FAD 0.0004321 0.45809 12.3529
635 2V7T SAH 0.008008 0.43812 12.3746
636 1OFH ADP 0.002444 0.41301 12.5806
637 1GRO ICT 0.01063 0.41105 12.61
638 1YGC 905 0.001715 0.40976 12.6984
639 2RHW C0E 0.0009163 0.463 12.7208
640 3ZS7 ATP 0.002091 0.41044 12.9032
641 4LXH C1E 0.007387 0.40422 12.9964
642 2JAR UMP 0.00183 0.40673 13
643 4F4S EFO 0.001304 0.4334 13.1579
644 4O8A FAD 0.001033 0.43444 13.1965
645 1TIW TFB 0.00212 0.43114 13.1965
646 1TIW FAD 0.00212 0.43114 13.1965
647 4BG1 IVL 0.003205 0.40192 13.1965
648 4BG1 OGA 0.003205 0.40192 13.1965
649 4HA6 FAD 0.001252 0.44542 13.783
650 4C12 ADP 0.009075 0.4178 13.783
651 3LTW HLZ 0.00008738 0.49784 14.2857
652 1LLF F23 0.00004912 0.53363 14.3695
653 3TN7 NJP 0.001162 0.4325 14.3969
654 4HZD COA 0.01003 0.40161 14.539
655 1N9L FMN 0.0005984 0.40664 14.6789
656 1KDK DHT 0.0003631 0.43797 15.2542
657 3CKJ CIT 0.003003 0.41124 15.8055
658 1EZV SMA 0.002416 0.41475 16.129
659 2Q37 3AL 0.001509 0.43701 16.5746
660 3E5H GNP 0.002387 0.41177 16.8539
661 2X61 CH 0.003365 0.42437 17.0543
662 4JUI EGR 0.000368 0.40575 17.3021
663 1FIQ FAD 0.0003542 0.45631 19.0616
664 1FIQ SAL 0.0006112 0.4445 19.0616
665 1FIQ MTE 0.001205 0.4305 19.0616
666 2E1A MSE 0.0006089 0.4406 20
667 1V2X SAM 0.0005731 0.42676 20.6186
668 4G28 0W8 0.0001097 0.41915 23.5294
669 3MB5 SAM 0.01151 0.41206 23.9216
670 3R35 4CO 0.004428 0.41049 27.1523
671 1MVQ MMA 0.003979 0.41225 27.5424
672 2HV8 GTP 0.001003 0.4256 27.907
673 2ZSH GA3 0.0007928 0.42111 29.912
674 4GQB 0XU 0.004797 0.42909 36.3636
675 3EBL GA4 0.0002509 0.47653 38.1232
Pocket No.: 2; Query (leader) PDB : 4OB6; Ligand: S2T; 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: 4ob6.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4OB6; Ligand: S2T; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4ob6.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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