Receptor
PDB id Resolution Class Description Source Keywords
3A2Y 1.95 Å EC: 3.5.1.78 E. COLI GSP AMIDASE C59A COMPLEXED WITH GSP ESCHERICHIA COLI GSP AMIDASE ATP-BINDING HYDROLASE LIGASE MULTIFUNCTIONALNUCLEOTIDE-BINDING
Ref.: STRUCTURE AND MECHANISM OF ESCHERICHIA COLI GLUTATHIONYLSPERMIDINE AMIDASE BELONGING TO THE FAM CYSTEINE; HISTIDINE-DEPENDENT AMIDOHYDROLASES/PEPTI PROTEIN SCI. V. 20 557 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TS5 A:198;
Valid;
none;
submit data
434.554 C17 H34 N6 O5 S C(CCN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3A2Y 1.95 Å EC: 3.5.1.78 E. COLI GSP AMIDASE C59A COMPLEXED WITH GSP ESCHERICHIA COLI GSP AMIDASE ATP-BINDING HYDROLASE LIGASE MULTIFUNCTIONALNUCLEOTIDE-BINDING
Ref.: STRUCTURE AND MECHANISM OF ESCHERICHIA COLI GLUTATHIONYLSPERMIDINE AMIDASE BELONGING TO THE FAM CYSTEINE; HISTIDINE-DEPENDENT AMIDOHYDROLASES/PEPTI PROTEIN SCI. V. 20 557 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3A2Y - TS5 C17 H34 N6 O5 S C(CCNCCCNC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3A2Y - TS5 C17 H34 N6 O5 S C(CCNCCCNC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3A2Y - TS5 C17 H34 N6 O5 S C(CCNCCCNC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TS5; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 TS5 1 1
2 GCG 0.863636 0.976744
3 TS4 0.767123 0.913043
4 GSH 0.573529 0.880952
5 HGS 0.535211 0.863636
6 HCG 0.486486 0.904762
7 3GC 0.462687 0.809524
8 GSM 0.454545 0.822222
9 GTS 0.441558 0.606557
10 GDS 0.423077 0.826087
11 GS8 0.423077 0.755102
12 AHE 0.4125 0.840909
13 VB1 0.410256 0.840909
14 HGD 0.407407 0.787234
15 GSF 0.4 0.660714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3A2Y; Ligand: TS5; Similar sites found: 445
This union binding pocket(no: 1) in the query (biounit: 3a2y.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1N9L FMN 0.0001673 0.43832 None
2 2FWP CIT 0.006702 0.40001 None
3 3O03 NAP 0.0004017 0.43881 1.01523
4 3SJU NDP 0.0005541 0.43997 1.43369
5 3U4C NDP 0.0003082 0.44627 1.52284
6 3KMZ EQO 0.0006058 0.43237 1.52284
7 1NVV GNP 0.002227 0.41039 1.52284
8 1VDC FAD 0.0007296 0.45411 2.03046
9 4KQI RBZ 0.0002361 0.45363 2.03046
10 4KQI NIO 0.0002361 0.45363 2.03046
11 1M5B BN1 0.001976 0.44381 2.03046
12 3D2Y AH0 ALA FGA LYS 0.000232 0.43343 2.03046
13 3GEG NAD 0.001204 0.42315 2.03046
14 2OYS FMN 0.000826 0.41857 2.03046
15 1K27 MTM 0.002742 0.41566 2.03046
16 1DAK ADP 0.01034 0.40273 2.03046
17 1DAK DPU 0.01034 0.40273 2.03046
18 3DCM SAM 0.002406 0.40042 2.08333
19 1PEA ACM 0.0004873 0.48455 2.53807
20 2E2R 2OH 0.0001167 0.46942 2.53807
21 2HNK SAH 0.0001045 0.44771 2.53807
22 1EDO NAP 0.005505 0.43263 2.53807
23 1U7Z PMT 0.001177 0.4306 2.53807
24 4I4Z 2NE 0.0009492 0.42992 2.53807
25 4O1M NAD 0.001307 0.42482 2.53807
26 2HGZ PBF 0.0009649 0.42173 2.53807
27 1GSA GSH 0.003577 0.42145 2.53807
28 4FDV 0UK 0.001932 0.42129 2.53807
29 1GSA ADP 0.0009804 0.41788 2.53807
30 1OYB HBA 0.00162 0.41694 2.53807
31 3NYQ MCA 0.002578 0.41665 2.53807
32 3NYQ AMP 0.002789 0.41665 2.53807
33 4TMK T5A 0.03563 0.41367 2.53807
34 1KBJ FMN 0.00182 0.41354 2.53807
35 3SFI 3SF 0.005957 0.41194 2.53807
36 1VKO NAD 0.01822 0.41119 2.53807
37 2WIC GNP 0.001926 0.41017 2.53807
38 3WBF API 0.005068 0.40697 2.53807
39 4M4Q 21A 0.002945 0.40443 2.53807
40 2CSN CKI 0.00329 0.40429 2.53807
41 1SSQ CYS 0.01307 0.40366 2.53807
42 1LYX PGA 0.0008539 0.40295 2.53807
43 1PGP 6PG 0.008351 0.40223 2.53807
44 3V91 UPG 0.01642 0.40098 2.53807
45 2H8Z 8CM 0.005446 0.40071 2.53807
46 2H8Z FMN 0.005446 0.40071 2.53807
47 4IAE 1DX 0.01647 0.40208 2.6455
48 4CO3 ATP 0.005843 0.41324 2.67857
49 2HMT NAI 0.006135 0.41782 2.77778
50 1NVU GTP 0.02081 0.4013 3.01205
51 3SJ7 NDP 0.00008932 0.4659 3.04569
52 1FL2 FAD 0.001285 0.43748 3.04569
53 4OYA 1VE 0.008835 0.43643 3.04569
54 2GSD NAD 0.001051 0.435 3.04569
55 1UXG FUM 0.002252 0.426 3.04569
56 1UXG NAD 0.002252 0.426 3.04569
57 3F3E LEU 0.002305 0.4245 3.04569
58 2XVF FAD 0.002354 0.42416 3.04569
59 1ZK4 NAP 0.01391 0.42043 3.04569
60 1ZK4 AC0 0.01391 0.42043 3.04569
61 4K5S FAD 0.002366 0.41931 3.04569
62 3DNT ATP 0.001153 0.41721 3.04569
63 2AQJ TRP 0.01037 0.41557 3.04569
64 1P4C FMN 0.01338 0.41556 3.04569
65 1XVV CCQ 0.004597 0.41524 3.04569
66 2DT5 NAD 0.002441 0.41485 3.04569
67 3FPZ AHZ 0.01971 0.41406 3.04569
68 3CBG SAH 0.0007662 0.41333 3.04569
69 4U9W COA 0.0009675 0.41313 3.04569
70 1KGQ SCO 0.02114 0.41176 3.04569
71 1G79 FMN 0.003971 0.41093 3.04569
72 1KGQ NPI 0.02261 0.40975 3.04569
73 2BII MTV 0.001942 0.40919 3.04569
74 2J7T 274 0.003205 0.40914 3.04569
75 2QV7 ADP 0.0009211 0.40688 3.04569
76 4IOK ADP 0.003345 0.40556 3.04569
77 3WO0 ALA 0.007003 0.40512 3.04569
78 3WO0 ADP 0.007003 0.40512 3.04569
79 2AQJ FAD 0.01968 0.40496 3.04569
80 4P53 NAI 0.003873 0.40472 3.04569
81 4KCF AKM 0.002736 0.4039 3.04569
82 4LWA Q13 0.01008 0.40219 3.04569
83 3PC3 P1T 0.002542 0.40148 3.04569
84 3DDC GNP 0.00003299 0.47605 3.06748
85 1V2X SAM 0.0005067 0.42392 3.09278
86 1DR1 NAP 0.005142 0.41129 3.1746
87 1DR1 HBI 0.005142 0.41129 3.1746
88 1CBF SAH 0.000798 0.40856 3.50877
89 2C7G FAD 0.0004357 0.4693 3.5533
90 3D3W NAP 0.0002505 0.45268 3.5533
91 3EAU PDN 0.003452 0.44575 3.5533
92 3EAU NDP 0.003452 0.44575 3.5533
93 3AXB PRO 0.0008909 0.44574 3.5533
94 3AXB FAD 0.000634 0.44574 3.5533
95 3FS8 ACO 0.004466 0.43995 3.5533
96 3FXU TSU 0.0003062 0.43952 3.5533
97 1IG3 VIB 0.0005731 0.43796 3.5533
98 3TN7 NJP 0.0007103 0.43599 3.5533
99 1OAA OAA 0.00202 0.43301 3.5533
100 3TO7 COA 0.00164 0.43124 3.5533
101 2C7G ODP 0.004065 0.42973 3.5533
102 1LTH NAD 0.004526 0.42631 3.5533
103 2Q2V NAD 0.001778 0.42393 3.5533
104 3FS8 TDR 0.01064 0.42258 3.5533
105 1R6D DAU 0.005761 0.42214 3.5533
106 2XVE FAD 0.008376 0.42135 3.5533
107 1R6D NAD 0.006328 0.42129 3.5533
108 1NYT NAP 0.00111 0.42125 3.5533
109 2YC5 6BC 0.002695 0.41963 3.5533
110 1JQ5 NAD 0.03859 0.41655 3.5533
111 4MWV BCZ 0.003778 0.41637 3.5533
112 2VJJ RAM GLC GAL NAG NAG GLC 0.007287 0.41611 3.5533
113 2RHW C0E 0.01253 0.41423 3.5533
114 1X1T NAD 0.01825 0.41228 3.5533
115 4QN7 G39 0.004234 0.41225 3.5533
116 2NU8 COA 0.002304 0.41141 3.5533
117 2HW1 ANP 0.001361 0.41098 3.5533
118 4N02 FNR 0.0112 0.41065 3.5533
119 3N5O GSH 0.001122 0.40985 3.5533
120 1PR9 NAP 0.004459 0.40905 3.5533
121 3ZF8 GDP 0.0002336 0.40845 3.5533
122 1WXI AMP 0.00699 0.40828 3.5533
123 4Q3S X7A 0.003358 0.40624 3.5533
124 2J0W ADP 0.001274 0.40578 3.5533
125 3OZG SSI 0.001016 0.40504 3.5533
126 3I28 34N 0.01251 0.40482 3.5533
127 4E13 NAD 0.002224 0.40351 3.5533
128 2VBQ BSJ 0.0006453 0.44166 3.63636
129 1ZJ6 G3D 0.0007434 0.4013 3.74332
130 1P9P SAH 0.002579 0.40308 3.83142
131 3E5H GNP 0.000167 0.4489 3.93258
132 3R35 4CO 0.004619 0.40598 3.97351
133 3A2Q ACA ACA 0.0003628 0.42443 4.0568
134 2BNF UTP 0.000284 0.46019 4.06091
135 4L1F FAD 0.000318 0.45315 4.06091
136 4USQ FAD 0.0005733 0.44358 4.06091
137 3ZV6 NAD 0.0009514 0.44357 4.06091
138 3ZV6 4HB 0.001014 0.44357 4.06091
139 3OND NAD 0.001862 0.43816 4.06091
140 3OND ADN 0.001862 0.43816 4.06091
141 2Q1W NAD 0.000717 0.43725 4.06091
142 1PL6 572 0.001055 0.43237 4.06091
143 2D2I NAP 0.0005857 0.42947 4.06091
144 2C31 ADP 0.007859 0.42745 4.06091
145 2C31 TZD 0.008117 0.42745 4.06091
146 3B20 NAD 0.0007754 0.42684 4.06091
147 3OIG NAD 0.005992 0.42588 4.06091
148 3B1J NAD 0.001342 0.4244 4.06091
149 1SOW NAD 0.001965 0.42102 4.06091
150 4G1V FAD 0.02192 0.41814 4.06091
151 2NLI LAC 0.009638 0.41754 4.06091
152 1F8F NAD 0.009995 0.4141 4.06091
153 1HDR NAD 0.008312 0.41345 4.06091
154 2R14 TXD 0.003155 0.4121 4.06091
155 1R37 NAD 0.004135 0.41147 4.06091
156 4CKU P2F 0.009229 0.41084 4.06091
157 1UNB PN1 0.00912 0.40979 4.06091
158 1IIM TTP 0.006099 0.40847 4.06091
159 4MP8 MLI 0.006501 0.40742 4.06091
160 4MP8 NAD 0.006501 0.40742 4.06091
161 2R14 FMN 0.003021 0.40716 4.06091
162 2YB9 HA0 0.004002 0.40697 4.06091
163 1UBY DMA 0.001379 0.4046 4.06091
164 2PP3 LGT 0.01925 0.40266 4.06091
165 3IU9 T07 0.02223 0.40215 4.06091
166 3SSO SAH 0.002561 0.40137 4.06091
167 1PL6 NAD 0.002916 0.4012 4.06091
168 2NLI FMN 0.02337 0.40062 4.06091
169 3K56 IS3 0.001089 0.40054 4.06091
170 1UAY ADN 0.001065 0.40032 4.06091
171 2GJ3 FAD 0.001715 0.40932 4.16667
172 1HFS L04 0.00404 0.40941 4.375
173 1QJC PNS 0.007697 0.41752 4.43038
174 1KOL NAD 0.00007846 0.47872 4.56853
175 2BGM NAJ 0.001235 0.452 4.56853
176 3E8N ATP 0.0006332 0.45146 4.56853
177 3E8N VRA 0.0006332 0.45146 4.56853
178 1XHL NDP 0.0005883 0.44044 4.56853
179 1RM4 NDP 0.002858 0.43887 4.56853
180 2BNE U5P 0.0009766 0.43428 4.56853
181 2YVF FAD 0.004137 0.43309 4.56853
182 2YVF NAD 0.004303 0.43309 4.56853
183 2YBQ UP2 0.001299 0.43276 4.56853
184 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.001817 0.43172 4.56853
185 1QPB TPP 0.0007477 0.42907 4.56853
186 1MVN PCO 0.004811 0.42793 4.56853
187 2HGS ADP 0.000537 0.42709 4.56853
188 1GV0 NAD 0.001683 0.42078 4.56853
189 3MCT SAH 0.0008072 0.41892 4.56853
190 4JK3 NAD 0.001747 0.41876 4.56853
191 4PLG NAI 0.004266 0.41437 4.56853
192 4PLG OXM 0.004266 0.41437 4.56853
193 2OD9 A1R NCA 0.003214 0.41047 4.56853
194 2NXW TPP 0.004123 0.40908 4.56853
195 1WNG SAH 0.001547 0.40708 4.56853
196 2F2U M77 0.00369 0.40696 4.56853
197 4GZP G39 0.007786 0.40649 4.56853
198 1RYI FAD 0.01008 0.40593 4.56853
199 2QQF A1R 0.002977 0.40586 4.56853
200 1RYI GOA 0.01208 0.40287 4.56853
201 3RKR NAP 0.0005764 0.40134 4.56853
202 2C1Q BTN 0.001264 0.43667 4.7619
203 3NCQ ATP 0.0004969 0.42629 5.04202
204 1SB8 UD2 0.0002642 0.47528 5.07614
205 1SB8 NAD 0.000268 0.47117 5.07614
206 2AMV BIN 0.0004406 0.46462 5.07614
207 1Z45 NAD 0.0003692 0.44496 5.07614
208 1YB5 NAP 0.001031 0.43405 5.07614
209 2QA1 FAD 0.002365 0.42177 5.07614
210 1FIQ FAD 0.002392 0.42037 5.07614
211 1JQI FAD 0.003037 0.41883 5.07614
212 4QN6 LNV 0.004437 0.41372 5.07614
213 4DEM YS4 0.02163 0.41335 5.07614
214 3VGL ANP 0.004604 0.41311 5.07614
215 1M9H NAD 0.002315 0.41284 5.07614
216 3TKA SAM 0.0013 0.41167 5.07614
217 1I0Z NAI 0.00317 0.41069 5.07614
218 3CH5 GDP 0.004724 0.40812 5.07614
219 1KYQ NAD 0.001287 0.4078 5.07614
220 2R5T ANP 0.002058 0.40653 5.07614
221 1K97 CIR 0.03185 0.40623 5.07614
222 1K97 ASP 0.03185 0.40623 5.07614
223 3QUR FM4 0.004756 0.40551 5.07614
224 3QUR ADP 0.004756 0.40551 5.07614
225 1HYE NAP 0.002504 0.40527 5.07614
226 4AF0 IMP 0.0165 0.40089 5.07614
227 3LZW NAP 0.001952 0.44479 5.58376
228 1WVG APR 0.0002509 0.44443 5.58376
229 3RFV NAI 0.0003597 0.44221 5.58376
230 1V9N NDP 0.0005619 0.44117 5.58376
231 3LZW FAD 0.0009504 0.44025 5.58376
232 1REO FAD 0.003186 0.42133 5.58376
233 1GPJ CIT 0.00000953 0.42008 5.58376
234 2YPO PHE 0.001786 0.41984 5.58376
235 2AHR NAP 0.001995 0.41944 5.58376
236 3RFV 15L 0.001907 0.41438 5.58376
237 3UH0 TSB 0.0015 0.41316 5.58376
238 1H2B NAJ 0.003663 0.41223 5.58376
239 1H6C NDP 0.004969 0.41185 5.58376
240 2RH4 EMO 0.008248 0.41108 5.58376
241 1RYD NDP 0.005408 0.41045 5.58376
242 1UOU CMU 0.0005263 0.40936 5.58376
243 1H6C SIN 0.006819 0.40869 5.58376
244 1P72 ADP 0.00414 0.40774 5.58376
245 1GS5 NLG 0.005736 0.40497 5.58376
246 1GS5 ANP 0.005736 0.40497 5.58376
247 4RJK TPP 0.004078 0.4039 5.58376
248 4RJK TDL 0.004907 0.40371 5.58376
249 4GYW UDP 0.006235 0.40362 5.58376
250 3IPQ 965 0.005382 0.40224 5.58376
251 2OWZ F6P 0.01051 0.4015 5.58376
252 3ICR FAD 0.02457 0.40142 5.58376
253 4PO2 ASN ARG LEU LEU LEU THR GLY 0.002907 0.40124 5.58376
254 3JYN NDP 0.0001501 0.4639 6.09137
255 2B4Q NAP 0.0004942 0.44032 6.09137
256 1IM8 SAI 0.0002397 0.43736 6.09137
257 3K37 BCZ 0.006667 0.43271 6.09137
258 1TDF FAD 0.002457 0.43253 6.09137
259 1TDF NAP 0.006393 0.43116 6.09137
260 1H9G COA MYR 0.0008085 0.42784 6.09137
261 4FR3 0V4 0.007488 0.42773 6.09137
262 4FR3 LYS ARG ARG LYS SEP VAL 0.007488 0.42773 6.09137
263 3BAZ NAP 0.00085 0.42541 6.09137
264 4Q0P 0MK 0.01724 0.42219 6.09137
265 3FC4 EDO 0.008614 0.41594 6.09137
266 2IMP NAI 0.02467 0.40995 6.09137
267 4DA6 GA2 0.01337 0.40902 6.09137
268 4C0X FMN 0.003152 0.40649 6.09137
269 2XK9 XK9 0.008348 0.40003 6.09137
270 3ZOD FMN 0.001892 0.4145 6.28272
271 3ZOD HQE 0.001892 0.4145 6.28272
272 1MQ0 BRD 0.0006913 0.40357 6.42857
273 2QQ0 ANP 0.004912 0.405 6.52174
274 2QQ0 TMP 0.005376 0.40355 6.52174
275 2QQ0 ADP 0.005376 0.40355 6.52174
276 1JA9 NDP 0.0007761 0.46758 6.59898
277 3KO8 NAD 0.0004586 0.44444 6.59898
278 4AT0 FAD 0.002842 0.43095 6.59898
279 3IOI 1GW 0.001098 0.43039 6.59898
280 1T57 FMN 0.0004718 0.42907 6.59898
281 9LDT NAD 0.001709 0.42193 6.59898
282 2DTX BMA 0.003739 0.41867 6.59898
283 9LDB NAD 0.00223 0.41766 6.59898
284 4G87 UD1 0.007411 0.41332 6.59898
285 1Q3Q ANP 0.01239 0.41036 6.59898
286 1T8U UAP SGN IDS SGN 0.006474 0.40853 6.59898
287 2O4J VD4 0.002899 0.40781 6.59898
288 1L2T ATP 0.00347 0.40024 6.59898
289 1VQ2 DDN 0.02734 0.40038 6.73575
290 1H82 GZZ 0.001669 0.44903 7.1066
291 1H82 FAD 0.001465 0.44903 7.1066
292 1ZK7 FAD 0.001179 0.44404 7.1066
293 4W6Z 8ID 0.001034 0.4365 7.1066
294 3T31 FAD 0.004529 0.42785 7.1066
295 3T31 DCQ 0.004935 0.42785 7.1066
296 1GAD NAD 0.00119 0.42178 7.1066
297 3CQD ATP 0.002829 0.42113 7.1066
298 4LTN NAI 0.00574 0.41896 7.1066
299 1Q0H FOM 0.005261 0.41871 7.1066
300 1Q0H NDP 0.005825 0.41871 7.1066
301 3I3X U22 0.009195 0.4187 7.1066
302 3PVT 3HC 0.003548 0.4174 7.1066
303 3IAE D7K 0.002499 0.41583 7.1066
304 1DSS NAD 0.001712 0.41449 7.1066
305 1CX9 NHP 0.02094 0.41295 7.1066
306 4HA6 FAD 0.007582 0.41073 7.1066
307 4QVH COA 0.002674 0.40983 7.1066
308 1ECC PCP 0.001985 0.40885 7.1066
309 3LM9 ADP 0.0004176 0.40726 7.1066
310 3O9P MHI 0.02194 0.40611 7.1066
311 3LM9 FRU 0.003076 0.40375 7.1066
312 1B8U OAA 0.006058 0.40288 7.1066
313 1RHC F42 ACN 0.00527 0.40257 7.1066
314 3NTD FAD 0.02533 0.40174 7.1066
315 1YAG ATP 0.001389 0.41435 7.2
316 2BTO GTP 0.006941 0.40738 7.40741
317 2V6O FAD 0.0002458 0.49093 7.61421
318 4KWI NAP 0.0006734 0.44824 7.61421
319 4KWI 1TJ 0.0007196 0.44824 7.61421
320 2XCG XCG 0.000721 0.4343 7.61421
321 2J07 FAD 0.003571 0.42791 7.61421
322 2J07 HDF 0.003571 0.42791 7.61421
323 1HV9 UD1 0.001601 0.42432 7.61421
324 1V8K ANP 0.001767 0.42139 7.61421
325 1NZY BCA 0.001571 0.41896 7.61421
326 1HV9 COA 0.008649 0.41195 7.61421
327 3D2M COA 0.04253 0.40688 7.61421
328 1FWY UD1 0.005573 0.40422 7.61421
329 1EXB NDP 0.00505 0.43539 7.76699
330 2NVK FAD 0.000281 0.46393 8.12183
331 3Q9T FAY 0.001493 0.43279 8.12183
332 1G0N NDP 0.002633 0.42342 8.12183
333 1G0N PHH 0.004617 0.41718 8.12183
334 1ZFJ IMP 0.02481 0.41625 8.12183
335 4BJZ FAD 0.01503 0.41579 8.12183
336 4BJZ P3A 0.01503 0.41579 8.12183
337 1O0S NAI 0.002821 0.40343 8.12183
338 2TPL HPP 0.003964 0.40139 8.12183
339 4I9A NCN 0.003288 0.40873 8.33333
340 3S9K CIT 0.02268 0.42977 8.47458
341 2R0N TGC 0.009585 0.44207 8.62944
342 1V5F FAD 0.0232 0.43022 8.62944
343 1V5F TPP 0.0232 0.43022 8.62944
344 1DLJ NAI 0.005094 0.42266 8.62944
345 4C12 ADP 0.005704 0.42231 8.62944
346 4EA7 JB2 0.01047 0.41838 8.62944
347 4EA7 COA 0.01047 0.41838 8.62944
348 1KY8 NAP 0.02092 0.4177 8.62944
349 2ORV 4TA 0.001819 0.4119 8.62944
350 1R18 SAH 0.00159 0.41048 8.62944
351 2GYI HYA 0.01873 0.40834 8.62944
352 1BDB NAD 0.02577 0.40604 8.62944
353 4C12 UML 0.005665 0.40142 8.62944
354 1NW5 SAM 0.002285 0.4012 8.62944
355 3QO8 SSA 0.001317 0.40068 8.62944
356 1UDB UFG 0.0007205 0.4571 9.13706
357 1UDB NAD 0.0007205 0.4571 9.13706
358 1RM0 D6P 0.002352 0.43506 9.13706
359 2DKH 3HB 0.002691 0.42413 9.13706
360 1RM0 NAI 0.00483 0.42016 9.13706
361 1DXY NAD 0.001343 0.41988 9.13706
362 1LVL FAD 0.006977 0.41213 9.13706
363 1IYE PGU 0.003578 0.41008 9.13706
364 1LDM NAD 0.01754 0.40951 9.13706
365 1D7O TCL 0.03064 0.40694 9.13706
366 1D7O NAD 0.03064 0.40694 9.13706
367 4KQL 1SG 0.01946 0.40643 9.13706
368 2CKM AA7 0.009266 0.40551 9.13706
369 2AEB ABH 0.006874 0.40262 9.13706
370 2C9O ADP 0.00646 0.40184 9.13706
371 1V35 NAI 0.01173 0.40156 9.13706
372 2F01 BTQ 0.03026 0.40034 9.44882
373 4NTD FAD 0.0002441 0.46269 9.64467
374 3CIP ATP 0.0004827 0.456 9.64467
375 1GR0 NAD 0.005706 0.43438 9.64467
376 1TIW FAD 0.001882 0.42897 9.64467
377 1TIW TFB 0.001882 0.42897 9.64467
378 3TI8 LNV 0.00457 0.41534 9.64467
379 4O8A FAD 0.004468 0.40652 9.64467
380 2JAR UMP 0.002103 0.40045 9.64467
381 1G8S MET 0.002173 0.43898 10.1523
382 4CS4 ANP 0.001263 0.4344 10.1523
383 3L0E G58 0.0005428 0.43409 10.1523
384 4CS4 AXZ 0.002573 0.42894 10.1523
385 3K7M FAD 0.004155 0.42857 10.1523
386 2RGH FAD 0.004029 0.41846 10.1523
387 4L6C 0BT 0.00121 0.41465 10.1523
388 4JTA NAP 0.01862 0.41192 10.1523
389 4IVG ANP 0.01647 0.40247 10.1523
390 1E7S NAP 0.006813 0.40098 10.1523
391 4FWE FAD 0.0004459 0.45841 10.6599
392 3ICC NAP 0.001142 0.42976 10.6599
393 1TV5 FMN 0.003277 0.42291 10.6599
394 2RDT 2RD 0.00956 0.42155 10.6599
395 2RDT FMN 0.007996 0.41798 10.6599
396 3WE0 FAD 0.002718 0.42801 11.1675
397 1J5P NAD 0.001855 0.41634 11.1675
398 2AE2 NAP 0.004741 0.41575 11.1675
399 2AE2 PTO 0.004741 0.41575 11.1675
400 1SAY PYR 0.04183 0.41268 11.1675
401 4IZC 1GZ 0.003628 0.42807 11.6751
402 1R27 MGD 0.004006 0.41429 11.6751
403 1TU3 GNP 0.0002892 0.44222 11.6959
404 3WSJ MK1 0.01107 0.40772 12.069
405 1ME8 RVP 0.00128 0.46374 12.1827
406 2Q1S NAI 0.0006172 0.45295 12.1827
407 4CMF PXG 0.008257 0.41436 12.1827
408 2HV8 GTP 0.002993 0.40418 12.2093
409 2PT9 S4M 0.0004274 0.43612 13.0841
410 2PT9 2MH 0.0009568 0.43526 13.0841
411 4F4S EFO 0.00003675 0.42405 13.1579
412 2VEZ G6P 0.005563 0.40171 13.1579
413 3S7O LBV 0.0006385 0.4377 13.198
414 1EP2 FMN 0.0006457 0.43298 13.198
415 1EP2 ORO 0.001457 0.42843 13.198
416 1I2B USQ 0.007582 0.4189 13.198
417 1I2B NAD 0.007582 0.4189 13.198
418 1I2B UPG 0.007582 0.4189 13.198
419 2QIA U20 0.009255 0.41432 13.198
420 2PTR 2SA 0.002786 0.40843 13.198
421 3MPI GRA 0.01634 0.40482 13.198
422 3MPI FAD 0.02942 0.40469 13.198
423 1NXJ TLA 0.0006912 0.41289 13.6612
424 1C0I FAD 0.001262 0.44289 13.7056
425 1C0I BE2 0.001262 0.44289 13.7056
426 1YBH FAD 0.0008682 0.44289 14.2132
427 3NKS ACJ 0.00008023 0.44197 14.2132
428 1FS5 TLA 0.0004474 0.43795 14.2132
429 1K6M AGS 0.0008933 0.4193 14.2132
430 2P2V CSF 0.01048 0.41026 14.2132
431 3NKS FAD 0.006821 0.40663 14.2132
432 2WPU KYT 0.03807 0.40293 14.4654
433 2GJN NIS 0.002139 0.41409 16.2437
434 2GJN FMN 0.002235 0.41033 16.2437
435 1EZV SMA 0.003099 0.40676 16.3636
436 3CKZ ZMR 0.006363 0.41181 16.7513
437 4B7J G39 0.004849 0.40769 16.7513
438 4NAT ADP 0.01537 0.41963 16.875
439 4NAT 2W5 0.0031 0.41963 16.875
440 3HAZ NAD 0.0007397 0.43389 17.2589
441 2G86 UMP 0.008579 0.41291 17.7665
442 2NPX FAD 0.008539 0.40292 19.2893
443 4QED NAP 0.001509 0.42253 20.3046
444 1NNU NAD 0.01004 0.4274 30
445 1NNU TCT 0.01004 0.4274 30
Pocket No.: 2; Query (leader) PDB : 3A2Y; Ligand: TS5; Similar sites found: 2
This union binding pocket(no: 2) in the query (biounit: 3a2y.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GU8 796 0.03748 0.40386 2.03046
2 5EZ7 FAD 0.01667 0.41142 7.61421
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