Receptor
PDB id Resolution Class Description Source Keywords
3EJ0 1.96 Å EC: 3.6.1.1 CRYSTAL STRUCTURE OF INORGANIC PYROPHOSPHATASE FROM BURKHOLD PSEUDOMALLEI WITH BOUND N-(PYRIDIN-3-YLMETHYL) ANILINE, H32F ORM BURKHOLDERIA PSEUDOMALLEI 1710B STRUCTURAL GENOMICS SSGCID BUPSA.00023.A PYROPHOSPHATASEHYDROLASE SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOU
Ref.: THE ROLE OF MEDICAL STRUCTURAL GENOMICS IN DISCOVER DRUGS FOR INFECTIOUS DISEASES. PLOS COMPUT BIOL V. 5 00530 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
11X A:176;
A:177;
Valid;
Valid;
none;
none;
submit data
184.237 C12 H12 N2 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EJ0 1.96 Å EC: 3.6.1.1 CRYSTAL STRUCTURE OF INORGANIC PYROPHOSPHATASE FROM BURKHOLD PSEUDOMALLEI WITH BOUND N-(PYRIDIN-3-YLMETHYL) ANILINE, H32F ORM BURKHOLDERIA PSEUDOMALLEI 1710B STRUCTURAL GENOMICS SSGCID BUPSA.00023.A PYROPHOSPHATASEHYDROLASE SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOU
Ref.: THE ROLE OF MEDICAL STRUCTURAL GENOMICS IN DISCOVER DRUGS FOR INFECTIOUS DISEASES. PLOS COMPUT BIOL V. 5 00530 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3EJ0 - 11X C12 H12 N2 c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3EJ0 - 11X C12 H12 N2 c1ccc(cc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3EJ0 - 11X C12 H12 N2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 11X; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 11X 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3ej0.bio2) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found: 433
This union binding pocket(no: 2) in the query (biounit: 3ej0.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.00001813 0.50893 None
2 2XBP ATP 0.001132 0.47902 None
3 3GD8 GOL 0.0007452 0.46091 None
4 1B66 BIO 0.001265 0.4474 None
5 1NU4 MLA 0.009916 0.43095 None
6 4CO3 ATP 0.0143 0.42497 None
7 2C1Q BTN 0.01352 0.42289 None
8 3GEG NAD 0.008679 0.41902 None
9 1UO5 PIH 0.03273 0.40361 None
10 1NPL MAN 0.001611 0.4023 None
11 2ALG DAO 0.01434 0.40051 None
12 2ALG HP6 0.01434 0.40051 None
13 2OFE NAG 0.007237 0.40019 None
14 2NT8 ATP 0.001017 0.46149 1.02041
15 2PY4 DUP 0.03162 0.40627 1.14943
16 2JBZ COA 0.003497 0.45615 1.3986
17 2BJK NAD 0.003461 0.46144 1.53061
18 2PT9 S4M 0.01151 0.41083 1.53061
19 4BAS GNP 0.008572 0.41008 1.53061
20 2F01 BTN 0.01826 0.43398 1.5748
21 2PMP C5P 0.003544 0.4162 1.875
22 2D4N DUP 0.0006448 0.46273 1.97368
23 3K37 BCZ 0.0007702 0.50676 2.04082
24 1LTH NAD 0.0006011 0.497 2.04082
25 2A0W DIH 0.0005096 0.48125 2.04082
26 1OTH PAO 0.001375 0.45992 2.04082
27 1Z34 2FD 0.008374 0.44208 2.04082
28 1KW6 BPY 0.01778 0.43271 2.04082
29 4W97 UCA 0.005228 0.42426 2.04082
30 4B7J G39 0.01069 0.42123 2.04082
31 1NZY BCA 0.01082 0.41478 2.04082
32 1LTH OXM 0.004364 0.40761 2.04082
33 1DSS NAD 0.01687 0.40356 2.04082
34 1MQ0 BRD 0.00342 0.41684 2.14286
35 2FWP CIT 0.01771 0.40904 2.18579
36 2FWP ICR 0.03133 0.40218 2.18579
37 2BS5 BGC GAL FUC 0.006945 0.42042 2.22222
38 1OD6 PNS 0.007946 0.44316 2.5
39 2ZWS PLM 0.0003591 0.50629 2.55102
40 1D09 PAL 0.001907 0.49987 2.55102
41 1EDO NAP 0.0009477 0.4984 2.55102
42 3CKZ ZMR 0.001063 0.47573 2.55102
43 1RY2 AMP 0.0005724 0.46762 2.55102
44 3OZG SSI 0.0002326 0.46754 2.55102
45 4I9A NCN 0.0008085 0.46589 2.55102
46 3HZS M0E 0.003071 0.45449 2.55102
47 1V35 NAI 0.003794 0.45026 2.55102
48 4QN7 G39 0.003784 0.44389 2.55102
49 4CMF PXG 0.009631 0.43843 2.55102
50 2WIC GNP 0.002728 0.43568 2.55102
51 1LVL FAD 0.009166 0.4344 2.55102
52 3V1U NAD 0.004262 0.42966 2.55102
53 4U36 TNR 0.005375 0.42373 2.55102
54 2EFJ SAH 0.004087 0.41802 2.55102
55 2JFV FLC 0.003902 0.41143 2.55102
56 3TCT 3MI 0.03843 0.41126 2.55102
57 4LH0 GLV 0.0326 0.40534 2.55102
58 2P41 SAH 0.0105 0.40276 2.55102
59 3LEO GSH 0.001505 0.45398 2.58065
60 3PAK MAN 0.006555 0.40841 2.7027
61 1Y1A GSH 0.005223 0.45227 2.73224
62 3QDY CBS 0.006146 0.40941 2.7972
63 2O66 FLC 0.004222 0.404 2.96296
64 3I8T LBT 0.0009291 0.42881 3.04878
65 1JQ5 NAD 0.0009796 0.52151 3.06122
66 2X61 CH 0.0002276 0.50417 3.06122
67 2X61 NGA GAL SIA 0.0005837 0.50103 3.06122
68 4M7F BM3 0.00001792 0.48744 3.06122
69 3FSY SCA 0.0006943 0.47904 3.06122
70 3CXO 1N5 0.001305 0.45957 3.06122
71 2VJJ RAM GLC GAL NAG NAG GLC 0.003542 0.45851 3.06122
72 1V1A KDG 0.0008073 0.45282 3.06122
73 3D3W NAP 0.003906 0.43837 3.06122
74 3MPI GRA 0.01096 0.43804 3.06122
75 1PR9 NAP 0.005088 0.43574 3.06122
76 1V1A ADP 0.004084 0.43484 3.06122
77 3LZW FAD 0.007773 0.43293 3.06122
78 1WL4 COA 0.01054 0.43157 3.06122
79 3U4C NDP 0.005237 0.43006 3.06122
80 3CXO 3LR 0.006673 0.42541 3.06122
81 2X0K PPV 0.00126 0.42194 3.06122
82 3CL7 HYN 0.005932 0.42187 3.06122
83 2AE2 NAP 0.01675 0.41953 3.06122
84 2AE2 PTO 0.01675 0.41953 3.06122
85 2IZ1 ATR 0.003057 0.41586 3.06122
86 3K3K A8S 0.005866 0.41531 3.06122
87 1FP2 SAH 0.004096 0.41361 3.06122
88 1SBZ FMN 0.01721 0.41077 3.06122
89 2NX1 PEP 0.01746 0.4056 3.06122
90 9LDB NAD 0.02306 0.40389 3.06122
91 2FGQ MLT 0.00152 0.40304 3.06122
92 2OHV NHL 0.005027 0.40248 3.06122
93 1I7L ATP 0.0164 0.40117 3.06122
94 9LDT NAD 0.02743 0.4005 3.06122
95 4EKV BTN 0.001837 0.4556 3.14465
96 3RKR NAP 0.006651 0.40019 3.43511
97 4NVP 7CH 0.0001078 0.51369 3.57143
98 1NXJ TLA 0.00002165 0.51172 3.57143
99 4TMK T5A 0.002878 0.49208 3.57143
100 4AP9 1PS 0.0004021 0.46461 3.57143
101 1ML4 PAL 0.0008893 0.45671 3.57143
102 1T26 GBD 0.01226 0.45445 3.57143
103 1T26 NAI 0.01226 0.45445 3.57143
104 1DLJ UGA 0.01032 0.43701 3.57143
105 4F2Q QUS 0.001158 0.43622 3.57143
106 2GSD NAD 0.005796 0.43551 3.57143
107 1M5B BN1 0.01532 0.4332 3.57143
108 2ZX7 ZX7 0.008747 0.42214 3.57143
109 1C0I FAD 0.01943 0.42086 3.57143
110 1C0I BE2 0.01943 0.42086 3.57143
111 1NXJ GLV 0.002086 0.41783 3.57143
112 1DLJ NAI 0.03355 0.41269 3.57143
113 2EWM NAD 0.01716 0.40967 3.57143
114 3DAG FEG 0.03791 0.40416 3.57143
115 5YAS FAC 0.00607 0.4018 3.57143
116 2PJL 047 0.01351 0.4172 3.64372
117 1JA9 NDP 0.000428 0.5152 3.64964
118 1JA9 PYQ 0.000524 0.4742 3.64964
119 4C0X AQN 0.01031 0.41958 3.94089
120 4C0X FMN 0.008461 0.41811 3.94089
121 2CCV A2G 0.005149 0.42608 3.9604
122 1LDM NAD 0.001029 0.49386 4.08163
123 4HZD COA 0.001075 0.4686 4.08163
124 4G1V FAD 0.006685 0.46819 4.08163
125 2PNZ UDP 0.0008465 0.46022 4.08163
126 2NS1 ADP 0.001505 0.46012 4.08163
127 2AMV BIN 0.003897 0.45697 4.08163
128 3FPZ AHZ 0.01232 0.44853 4.08163
129 4A0M NAD 0.009829 0.43993 4.08163
130 2NZ2 ASP 0.0003993 0.4363 4.08163
131 1KOL NAD 0.00721 0.43232 4.08163
132 3BAZ NAP 0.005285 0.42559 4.08163
133 1LYX PGA 0.00261 0.42168 4.08163
134 1OAA OAA 0.01823 0.42049 4.08163
135 3IOI 1GW 0.01197 0.41786 4.08163
136 3GE7 AFQ 0.01621 0.41308 4.08163
137 4W6Z 8ID 0.02068 0.41043 4.08163
138 2YBQ UP2 0.0239 0.40857 4.08163
139 3NOJ PYR 0.003071 0.40664 4.08163
140 1LDM OXM 0.005286 0.40424 4.08163
141 1KC7 PPR 0.0009606 0.40402 4.08163
142 1ZK7 FAD 0.04475 0.40373 4.08163
143 2J7T 274 0.02079 0.40351 4.08163
144 3ZRR PXG 0.0113 0.40322 4.08163
145 1R5A GTS 0.005037 0.40245 4.08163
146 3WCS MAN NAG GAL 0.006663 0.40016 4.08163
147 2XD9 XD9 0.002414 0.50349 4.19162
148 1DUC DUD 0.01011 0.40614 4.47761
149 1JOT GAL A2G 0.00546 0.40367 4.51128
150 1KDK DHT 0.003895 0.42647 4.51977
151 2D37 FMN 0.01797 0.40372 4.54545
152 4OYA 1VE 0.0007467 0.51762 4.59184
153 4KCF AKM 0.0002578 0.51248 4.59184
154 4QDC ASD 0.00006691 0.51096 4.59184
155 2IMP NAI 0.0007151 0.5096 4.59184
156 1VQ2 DDN 0.0004811 0.50827 4.59184
157 1P4C FMN 0.000635 0.50545 4.59184
158 1G6O ADP 0.001374 0.48169 4.59184
159 2OWZ F6P 0.001256 0.47022 4.59184
160 3SUC ATP 0.001469 0.46598 4.59184
161 4LTN NAI 0.002312 0.4659 4.59184
162 4IVG ANP 0.002877 0.46318 4.59184
163 4A3R CIT 0.002501 0.45202 4.59184
164 4KCF FMN 0.002881 0.45154 4.59184
165 2XZ3 MAL 0.001813 0.45042 4.59184
166 1MG1 MAL 0.001604 0.44299 4.59184
167 3M0J OAF 0.004145 0.43723 4.59184
168 4PLG OXM 0.007728 0.43201 4.59184
169 4PLG NAI 0.007728 0.43201 4.59184
170 4B4D FAD 0.002696 0.43152 4.59184
171 1OWB NAD 0.006303 0.42848 4.59184
172 1R0X ATP 0.01066 0.42129 4.59184
173 1Z44 NPO 0.01585 0.42024 4.59184
174 2OWZ CIT 0.005524 0.41996 4.59184
175 1Q3Q ANP 0.03079 0.41858 4.59184
176 1RYI GOA 0.02233 0.41636 4.59184
177 2TPL HPP 0.01027 0.413 4.59184
178 1VDC FAD 0.03316 0.41145 4.59184
179 2IXB NAD 0.01643 0.41051 4.59184
180 4NTX AMR 0.002532 0.40995 4.59184
181 1QPB PYM 0.01386 0.40869 4.59184
182 1HEX NAD 0.01578 0.40755 4.59184
183 4KS1 2H8 0.03848 0.40526 4.59184
184 1RYI FAD 0.03596 0.40497 4.59184
185 1EP2 ORO 0.0265 0.40447 4.59184
186 4NTD FAD 0.03318 0.40393 4.59184
187 1QPB TPP 0.0212 0.40056 4.59184
188 1XVV CCQ 0.002826 0.45409 4.65686
189 1PEA ACM 0.001463 0.44453 4.67532
190 3EM1 TYD 0.006997 0.41798 4.79452
191 1NME 159 0.008385 0.40077 4.79452
192 4F8L GAL 0.004375 0.44956 4.82759
193 1YOE RIB 0.0009095 0.46363 4.96894
194 2GJ3 FAD 0.0007971 0.46838 5
195 1MVN PCO 0.0001682 0.52636 5.10204
196 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.0002358 0.51382 5.10204
197 1FS5 TLA 0.0002937 0.48282 5.10204
198 1MVN FMN 0.0008261 0.4774 5.10204
199 3K3G MMU 0.0001077 0.46414 5.10204
200 4KQL 1SG 0.003987 0.46407 5.10204
201 1TDF NAP 0.005601 0.46204 5.10204
202 3O03 GCO 0.0003302 0.45865 5.10204
203 1TDF FAD 0.003176 0.45855 5.10204
204 1RP0 AHZ 0.00713 0.45571 5.10204
205 3VKX T3 0.0009255 0.4503 5.10204
206 4LBP 1WG 0.002057 0.44799 5.10204
207 1F8F NAD 0.008578 0.44385 5.10204
208 1X54 4AD 0.004452 0.42728 5.10204
209 1D3V ABH 0.005113 0.42622 5.10204
210 1I2B USQ 0.02265 0.42368 5.10204
211 1I2B NAD 0.02265 0.42368 5.10204
212 1I2B UPG 0.02265 0.42368 5.10204
213 1PL6 572 0.009491 0.42356 5.10204
214 4MOB ADP 0.00003017 0.42345 5.10204
215 3O03 NAP 0.008673 0.41764 5.10204
216 3WBF NAP 0.01272 0.41299 5.10204
217 3WBF API 0.01628 0.41299 5.10204
218 1A5Z OXM 0.007586 0.41209 5.10204
219 1OIK C26 0.005526 0.41045 5.10204
220 1PL6 NAD 0.009485 0.40987 5.10204
221 3UR0 SVR 0.03205 0.40982 5.10204
222 2R40 20E 0.01252 0.40777 5.10204
223 1RRC ADP 0.01179 0.40581 5.10204
224 1R6D DAU 0.02864 0.40542 5.10204
225 1R6D NAD 0.02935 0.40542 5.10204
226 1U7Z PMT 0.02836 0.40207 5.10204
227 3LTW HLZ 0.006845 0.4012 5.10204
228 1FS5 16G 0.0119 0.40045 5.10204
229 4R3L COA 0.006507 0.40854 5.20231
230 1TU3 GNP 0.01847 0.40183 5.26316
231 4N02 FNR 0.0007781 0.4917 5.32213
232 1B55 4IP 0.005529 0.40824 5.32544
233 4OK9 HIS 0.003679 0.42196 5.36913
234 1I9G SAM 0.0001687 0.51703 5.61225
235 1BDB NAD 0.0004582 0.51516 5.61225
236 4TSK NDP 0.001422 0.48259 5.61225
237 2BNF UTP 0.0007351 0.47971 5.61225
238 2WR8 SAH 0.001312 0.46469 5.61225
239 1FA2 DOM 0.000915 0.46352 5.61225
240 4MWV BCZ 0.003896 0.44557 5.61225
241 1UXG FUM 0.005795 0.43877 5.61225
242 1UXG NAD 0.005795 0.43877 5.61225
243 4IU0 ABH 0.002496 0.43476 5.61225
244 4CML 52N 0.004431 0.43116 5.61225
245 3S2Y FMN 0.00409 0.42003 5.61225
246 2DDH FAD 0.01375 0.4163 5.61225
247 2DDH HXD 0.00613 0.4163 5.61225
248 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.02213 0.41392 5.61225
249 2DTX BMA 0.02439 0.41105 5.61225
250 1TIW FAD 0.02847 0.40701 5.61225
251 1TIW TFB 0.02847 0.40701 5.61225
252 2W1A TSA 0.005484 0.40359 5.61225
253 4NE2 SH2 0.02952 0.40336 5.61225
254 1CF2 NAP 0.01373 0.40075 5.61225
255 3BHO B4P 0.02653 0.40052 5.61225
256 3NBK PNS 0.02261 0.40543 5.64972
257 4DN8 BMA 0.001407 0.42996 5.76923
258 3Q3C NAD 0.03871 0.41111 6.02007
259 4HGP KDO 0.0003398 0.49118 6.11111
260 2QIA U20 0.0006898 0.49461 6.12245
261 3VHZ L2P GLC MAN SGA 0.001085 0.49451 6.12245
262 1X1T NAD 0.001277 0.49343 6.12245
263 1LCP PLU 0.0006584 0.46497 6.12245
264 1W55 C 0.004197 0.45376 6.12245
265 2YYJ 4HP 0.01064 0.45272 6.12245
266 2YYJ FAD 0.01064 0.45272 6.12245
267 3VHZ SOG 0.007422 0.45106 6.12245
268 2TOH HBI 0.00199 0.44244 6.12245
269 1N6B DMZ 0.005405 0.43909 6.12245
270 2Q2V NAD 0.005579 0.43394 6.12245
271 1C3M MAN MAN 0.001386 0.43301 6.12245
272 1ZFJ IMP 0.0341 0.43276 6.12245
273 1YBH FAD 0.01106 0.42689 6.12245
274 2DUA OXL 0.003363 0.42556 6.12245
275 1YBH CIE 0.01264 0.42423 6.12245
276 1QF5 RPL 0.01978 0.42209 6.12245
277 1QF5 GDP 0.01978 0.42209 6.12245
278 1QW9 KHP 0.007355 0.41933 6.12245
279 1FIQ FAD 0.01249 0.4193 6.12245
280 4FDV 0UK 0.01735 0.41061 6.12245
281 3NKS FAD 0.02316 0.41018 6.12245
282 5T0A A3P 0.004385 0.4088 6.12245
283 1YBH P22 0.005931 0.40221 6.12245
284 2BNE U5P 0.001368 0.46199 6.22407
285 3IU9 T07 0.0001155 0.53549 6.63265
286 1V5F FAD 0.0007365 0.53257 6.63265
287 1V5F TPP 0.0007365 0.53257 6.63265
288 1DKU AP2 0.00009138 0.50503 6.63265
289 1WVC CTP 0.004023 0.47477 6.63265
290 3MB5 SAM 0.002578 0.46542 6.63265
291 1O7N IND 0.0004983 0.46473 6.63265
292 1O9U ADZ 0.003718 0.43417 6.63265
293 1G7V PAI 0.01337 0.4231 6.63265
294 3NYQ AMP 0.01026 0.42204 6.63265
295 3NYQ MCA 0.009662 0.42204 6.63265
296 1R27 MGD 0.01254 0.42137 6.63265
297 2W8Q SIN 0.007151 0.41166 6.63265
298 3W2W ATP 0.004822 0.40835 6.63265
299 4O1M NAD 0.01765 0.40791 6.63265
300 1V6A TRE 0.003533 0.40712 6.63265
301 1JSH SIA GAL 0.002007 0.43882 6.81818
302 4INB 1F6 0.00204 0.43476 6.84932
303 3RF4 FUN 0.002645 0.40472 6.89655
304 2P8B NSK 0.009612 0.4641 7.14286
305 1OMZ UD2 0.006277 0.44205 7.14286
306 4C25 13P 0.002829 0.44188 7.14286
307 2YFT DQR 0.002471 0.42497 7.14286
308 4B8V NDG NAG NAG NAG 0.00698 0.42178 7.14286
309 2QA1 FAD 0.01589 0.41564 7.14286
310 3RO7 TDR 0.01218 0.41252 7.14286
311 2CSN CKI 0.01973 0.40058 7.14286
312 1UFY MLI 0.001459 0.40383 7.37705
313 1L1Q 9DA 0.00817 0.4092 7.52688
314 3TA2 AKG 0.00665 0.42548 7.62712
315 3TA2 ATP 0.01362 0.41705 7.62712
316 1NVU GTP 0.000006394 0.59244 7.65306
317 1RM4 NDP 0.0001609 0.52946 7.65306
318 4FR3 LYS ARG ARG LYS SEP VAL 0.001842 0.48502 7.65306
319 4FR3 0V4 0.001842 0.48502 7.65306
320 2JEN GLC GLC BGC XYS BGC XYS 0.005014 0.46499 7.65306
321 3FS8 ACO 0.005949 0.46307 7.65306
322 1QJC PNS 0.003359 0.46206 7.65306
323 1QCA FUA 0.006864 0.45465 7.65306
324 4C0C WVH 0.003604 0.45417 7.65306
325 2H6B 3C4 0.007629 0.44628 7.65306
326 3FS8 TDR 0.01932 0.4362 7.65306
327 1FM9 570 0.01129 0.43097 7.65306
328 1G0N NDP 0.0132 0.42239 7.65306
329 1SOW NAD 0.009943 0.42148 7.65306
330 1XMV ADP 0.03867 0.41044 7.65306
331 3IB8 AMP 0.006816 0.40449 7.65306
332 1NW5 SAM 0.01181 0.4024 7.65306
333 2P4T NAP 0.002083 0.45053 8.06452
334 3EYK EYK 0.0003242 0.4282 8.13953
335 3HQJ COA 0.000131 0.48289 8.16327
336 2BLE 5GP 0.00179 0.47934 8.16327
337 4GLJ RHB 0.00066 0.47416 8.16327
338 3TO7 COA 0.001012 0.47338 8.16327
339 4R33 SAH 0.013 0.41852 8.16327
340 4R33 TRP 0.013 0.41852 8.16327
341 4GYW UDP 0.01375 0.4163 8.16327
342 3ZUY TCH 0.003799 0.41006 8.16327
343 1O6B ADP 0.002487 0.46166 8.28402
344 4BMO FMN 0.01061 0.41238 8.40336
345 4IAE 1DX 0.003354 0.45962 8.46561
346 1SS4 GSH 0.003131 0.45963 8.49673
347 1SS4 CIT 0.001732 0.43043 8.49673
348 1B9I PXG 0.01078 0.40908 8.67347
349 2Q1S NAI 0.03664 0.40626 8.67347
350 3A8U PLP 0.01472 0.40471 8.67347
351 1F7L COA 0.00006389 0.52175 9.09091
352 1RSD PSB 0.00815 0.48274 9.09091
353 2RDT 2RD 0.0002894 0.52199 9.18367
354 4AF0 IMP 0.0002689 0.50965 9.18367
355 2RDT FMN 0.00314 0.46463 9.18367
356 4Q3R XA2 0.002577 0.43918 9.18367
357 4AF0 MOA 0.004121 0.42874 9.18367
358 2R14 TXD 0.0111 0.41813 9.18367
359 1WVG APR 0.01769 0.40265 9.18367
360 1YOA FMN 0.03416 0.40263 9.43396
361 4JCA CIT 0.02603 0.40093 9.58084
362 1P9P SAH 0.001251 0.44762 9.69388
363 2XVE FAD 0.01135 0.44215 9.69388
364 1R37 NAD 0.005349 0.43594 9.69388
365 2YC5 6BC 0.00721 0.43122 9.69388
366 3WE0 FAD 0.04064 0.40414 9.69388
367 4COQ SAN 0.00614 0.40318 9.69388
368 4LFL TG6 0.006535 0.4005 9.87654
369 5DRN 5CT 0.0037 0.43861 10.1852
370 3OIG NAD 0.0008702 0.49435 10.2041
371 3OIG IMJ 0.0004531 0.48286 10.2041
372 2AEB ABH 0.001095 0.46632 10.2041
373 1GSA GSH 0.002572 0.45804 10.2041
374 1GSA ADP 0.006788 0.44396 10.2041
375 2XK9 XK9 0.004144 0.44094 10.2041
376 3HU3 AGS 0.01378 0.43806 10.2041
377 3B1F NAD 0.005137 0.42131 10.2041
378 2ZJ3 G6P 0.01102 0.40367 10.2041
379 2HMT NAI 0.0006692 0.49112 10.4167
380 1KHT AMP 0.004892 0.40296 10.4167
381 6FIV 3TL 0.002845 0.42014 10.6195
382 1SSQ CYS 0.0005232 0.49464 10.7143
383 4AAW R84 0.01015 0.43576 10.7143
384 3CEV ARG 0.003448 0.40906 10.7143
385 3ZZS TRP 0.01872 0.4124 10.7692
386 4WNB 4BN 0.007936 0.40595 10.8527
387 3F81 STT 0.01493 0.40546 10.929
388 2NLI FMN 0.0005886 0.49561 11.2245
389 2NLI LAC 0.0005886 0.49561 11.2245
390 2VMD MBG 0.000006665 0.44892 11.2245
391 3H86 AP5 0.000184 0.51581 11.4583
392 1H8G CHT 0.01478 0.42184 11.5789
393 4RJK PYR 0.02519 0.40963 11.7347
394 1IZC PYR 0.01212 0.40529 11.7347
395 1A59 COA 0.01001 0.40363 11.7347
396 4Q3F TLA 0.0008505 0.43347 11.9658
397 2QS8 MET 0.002931 0.43828 12.2449
398 1EXB NDP 0.004743 0.46558 12.6214
399 2BGM NAJ 0.0004402 0.50688 12.7551
400 3ZOD FMN 0.00451 0.43009 12.7551
401 3ZOD HQE 0.00451 0.43009 12.7551
402 2BGM MAX 0.005014 0.42504 12.7551
403 1I36 NAP 0.01243 0.40482 12.7551
404 2V5E SCR 0.00361 0.44375 12.8713
405 3K9W ADE 0.02353 0.44055 13.369
406 3K9W 4PS 0.02353 0.44055 13.369
407 2PN6 GLN 0.003222 0.47379 13.7755
408 4DQ2 BTX 0.01682 0.40761 13.7755
409 2HGZ PBF 0.01452 0.40496 13.7755
410 3VOZ 04A 0.00003285 0.40423 14.2857
411 1YAG ATP 0.01469 0.40325 14.4
412 4DA6 GA2 0.0008606 0.49134 14.7959
413 4N4J HG1 0.0012 0.47167 14.7959
414 2GDZ NAD 0.0263 0.40016 15.3061
415 4UBP HAE 0.0001045 0.49052 15.8416
416 4LNL 2BO 0.004631 0.41364 16.5165
417 4LNL 2BK 0.004631 0.41364 16.5165
418 4LNL PLG 0.007192 0.40352 16.5165
419 1GEX PLP HSA 0.01341 0.40793 16.8367
420 3WO0 ALA 0.005352 0.4382 17.3469
421 3WO0 ADP 0.005352 0.4382 17.3469
422 4LCQ URQ 0.00123 0.45785 17.8571
423 2ZI8 SDT 0.001899 0.44952 17.8571
424 1MDZ DCS 0.006905 0.42978 17.8571
425 1MDZ PLP 0.006569 0.42955 17.8571
426 1RYD NDP 0.03833 0.40009 17.8571
427 1TUF AZ1 0.01591 0.40324 18.3673
428 3S9K CIT 0.003807 0.45326 18.6441
429 2V6O FAD 0.02234 0.43362 18.8776
430 1OFH ADP 0.0001315 0.49541 19.3878
431 2F5T MAL 0.008632 0.40635 19.898
432 4M6T SAM 0.02276 0.41149 22.4044
433 1A69 FMB 0.03493 0.41842 22.9592
Pocket No.: 3; Query (leader) PDB : 3EJ0; Ligand: 11X; 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: 3ej0.bio3) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found: 10
This union binding pocket(no: 4) in the query (biounit: 3ej0.bio3) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5L53 NAP 0.014 0.42222 2.55102
2 4D3F NAP 0.03846 0.40415 4.08163
3 1MI3 NAD 0.04184 0.40357 8.16327
4 4CLR NAP 0.0175 0.42526 10.7143
5 5K6A NAP 0.01738 0.41734 10.7143
6 5JDI NAP 0.01875 0.41627 10.7143
7 4CM9 NAP 0.0277 0.40009 10.7143
8 4NS3 NAD 0.01485 0.42477 11.2245
9 4WAS NAP 0.04494 0.41444 15.3061
10 4YWV SSN 0.02506 0.40464 20.4082
Pocket No.: 5; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3ej0.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found: 51
This union binding pocket(no: 6) in the query (biounit: 3ej0.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WLT ASP 0.0001367 0.40655 1.02041
2 1WDA BAG 0.009208 0.40787 1.53061
3 1SAZ ACP 0.000003506 0.52859 1.83727
4 2JE7 XMM 0.00003456 0.44267 2.04082
5 1E4I NFG 0.000221 0.41006 3.06122
6 5D6C 57S 0.00155 0.48735 3.57143
7 2HVK TBA 0.0005587 0.4789 3.57143
8 1JN2 SFP 0.0005353 0.44234 3.57143
9 1TV5 ORO 0.0009521 0.42585 3.57143
10 5T63 ALA ALA ALA ALA 0.0003073 0.42359 3.57143
11 1TV5 N8E 0.001467 0.4128 3.57143
12 1FX8 BOG 0.003809 0.40201 3.57143
13 1JH7 UVC 0.00001277 0.41018 3.7037
14 1ULE GLA GAL NAG 0.042 0.40273 4
15 2NZ2 CIR 0.00006217 0.42742 4.08163
16 1GJW GLC 0.01204 0.4235 4.08163
17 4LTN FMN 0.000403 0.43171 4.59184
18 4E28 9MZ 0.01904 0.40857 4.59184
19 4M7J KDA KDO KDO 0.03233 0.40562 4.59184
20 1Y0L HAN 0.02142 0.43102 4.62963
21 1A5Z FBP 0.0004795 0.42545 5.10204
22 2GN2 C5P 0.000924 0.4241 5.10204
23 2ZO9 MLI 0.006383 0.40768 5.10204
24 1UGX GAL MGC 0.0000541 0.42044 5.26316
25 4PNO U5P 0.00005741 0.47912 5.55556
26 2VKL MLT 0.01827 0.43476 5.55556
27 2ET1 GLV 0.000001063 0.42261 5.61225
28 1W55 GPP 0.00000193 0.42314 6.12245
29 1BTN I3P 0.01165 0.46087 6.60377
30 2Q8H TF4 0.02084 0.42444 6.63265
31 1Y7P RIP 0.01569 0.4241 6.63265
32 1WKL ADP 0.0000001958 0.42022 7.29927
33 2JEN GLC GLC XYS XYS 0.000075 0.45688 7.65306
34 3FSJ D7K 0.002963 0.42032 7.65306
35 1DXY COI 0.0004015 0.40868 7.65306
36 2Q37 3AL 0.002581 0.44213 8.28729
37 2W24 LYS 0.00009978 0.41156 8.66667
38 3UEC ALA ARG TPO LYS 0.0174 0.41586 8.90411
39 3PHQ KDO 0.04273 0.42662 10.2041
40 1JQN DCO 0.0000185 0.41605 10.7143
41 3DUR KDO 0.005985 0.42595 10.7438
42 1C1L GAL BGC 0.03356 0.40216 10.9489
43 4HZX G39 0.0007656 0.41819 11.2245
44 3SHR CMP 0.006325 0.41004 11.7347
45 2PAR TMP 0.001781 0.40997 11.7347
46 5DTF 5CT 0.003574 0.45981 12.7551
47 5DS8 GLY 5CT GLY ALA 0.005006 0.44867 12.7551
48 3FN0 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.00808 0.42572 13.7755
49 1QO0 BMD 0.01622 0.41179 14.7959
50 1GXU 2HP 0.0001559 0.43314 15.3846
51 3ZPG 5GP 0.01175 0.43731 19.898
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