Receptor
PDB id Resolution Class Description Source Keywords
1ELI 2 Å EC: 1.5.3.1 COMPLEX OF MONOMERIC SARCOSINE OXIDASE WITH THE INHIBITOR PY CARBOXYLATE BACILLUS SP. FLAVOPROTEIN OXIDASE OXIDOREDUCTASE
Ref.: MONOMERIC SARCOSINE OXIDASE: 1. FLAVIN REACTIVITY A SITE BINDING DETERMINANTS. BIOCHEMISTRY V. 39 8813 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:804;
B:814;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
FAD A:400;
B:400;
Invalid;
Invalid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
PO4 A:803;
B:812;
B:813;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
PYC A:801;
B:811;
B:815;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 1.37 mM
110.091 C5 H4 N O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ELI 2 Å EC: 1.5.3.1 COMPLEX OF MONOMERIC SARCOSINE OXIDASE WITH THE INHIBITOR PY CARBOXYLATE BACILLUS SP. FLAVOPROTEIN OXIDASE OXIDOREDUCTASE
Ref.: MONOMERIC SARCOSINE OXIDASE: 1. FLAVIN REACTIVITY A SITE BINDING DETERMINANTS. BIOCHEMISTRY V. 39 8813 2000
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L9D - PYC C5 H4 N O2 c1cc([nH]c....
2 1EL5 Kd = 17.4 mM DMG C4 H9 N O2 CN(C)CC(=O....
3 2GF3 - FOA C5 H4 O3 c1cc(oc1)C....
4 1EL7 Kd = 1.46 mM MTD C3 H5 O2 Te C[Te]CC(=O....
5 1EL9 Kd = 2.6 mM MTG C3 H5 O2 S CSCC(=O)[O....
6 3M12 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 1EL8 Kd = 2.13 mM MSF C3 H5 O2 Se C[Se]CC(=O....
8 3QSS Kd = 4.9 mM MTG C3 H5 O2 S CSCC(=O)[O....
9 3QSE Kd > 10 mM SAR C3 H7 N O2 CNCC(=O)O
10 1ELI Kd = 1.37 mM PYC C5 H4 N O2 c1cc([nH]c....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L9D - PYC C5 H4 N O2 c1cc([nH]c....
2 1EL5 Kd = 17.4 mM DMG C4 H9 N O2 CN(C)CC(=O....
3 2GF3 - FOA C5 H4 O3 c1cc(oc1)C....
4 1EL7 Kd = 1.46 mM MTD C3 H5 O2 Te C[Te]CC(=O....
5 1EL9 Kd = 2.6 mM MTG C3 H5 O2 S CSCC(=O)[O....
6 3M12 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 1EL8 Kd = 2.13 mM MSF C3 H5 O2 Se C[Se]CC(=O....
8 3QSS Kd = 4.9 mM MTG C3 H5 O2 S CSCC(=O)[O....
9 3QSE Kd > 10 mM SAR C3 H7 N O2 CNCC(=O)O
10 1ELI Kd = 1.37 mM PYC C5 H4 N O2 c1cc([nH]c....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L9D - PYC C5 H4 N O2 c1cc([nH]c....
2 1EL5 Kd = 17.4 mM DMG C4 H9 N O2 CN(C)CC(=O....
3 2GF3 - FOA C5 H4 O3 c1cc(oc1)C....
4 1EL7 Kd = 1.46 mM MTD C3 H5 O2 Te C[Te]CC(=O....
5 1EL9 Kd = 2.6 mM MTG C3 H5 O2 S CSCC(=O)[O....
6 3M12 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 1EL8 Kd = 2.13 mM MSF C3 H5 O2 Se C[Se]CC(=O....
8 3QSS Kd = 4.9 mM MTG C3 H5 O2 S CSCC(=O)[O....
9 3QSE Kd > 10 mM SAR C3 H7 N O2 CNCC(=O)O
10 1ELI Kd = 1.37 mM PYC C5 H4 N O2 c1cc([nH]c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PYC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PYC 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ELI; Ligand: PYC; Similar sites found: 563
This union binding pocket(no: 1) in the query (biounit: 1eli.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3DMH SAM 0.001683 0.44627 1.31234
2 3DMH GMP 0.005183 0.40744 1.31234
3 4DCM SAM 0.008955 0.42684 1.33333
4 1X7D NAD 0.0008368 0.43634 1.42857
5 3GMB FAD 0.0000574 0.46529 1.54242
6 1OBB NAD 0.00349 0.42272 1.54242
7 1UAY ADN 0.002494 0.45808 1.65289
8 3LST SAH 0.01696 0.42036 1.72414
9 3TKA SAM 0.003929 0.42979 1.72911
10 2AIQ BEN 0.02993 0.41906 1.7316
11 1KPH SAH 0.001748 0.44204 1.74216
12 1KPG SAH 0.001766 0.44184 1.74216
13 2F1K NAP 0.00197 0.42723 1.79211
14 5X62 SAH 0.0009452 0.46972 1.79949
15 5KOK SAH 0.001388 0.45377 1.79949
16 1GQ2 NAP 0.002351 0.41857 1.79949
17 1Z45 NAD 0.003277 0.41033 1.79949
18 1GY8 NAD 0.002873 0.41007 1.79949
19 1F8G NAD 0.0004262 0.46896 1.82292
20 1L7E NAI 0.0005931 0.45534 1.82292
21 3A4T SFG 0.0002445 0.47955 1.82482
22 4PIO SAH 0.001749 0.41835 1.85759
23 4PIO AVI 0.003106 0.41123 1.85759
24 2A92 NAI 0.002822 0.40796 1.86916
25 1EBF NAD 0.001246 0.44168 1.95531
26 3H9E NAD 0.0005695 0.44928 2.02312
27 4M37 SAH 0.0001182 0.50254 2.05656
28 4M38 SAH 0.0001126 0.49882 2.05656
29 1VJT NAD 0.002474 0.44232 2.05656
30 4G74 FAD 0.0002661 0.43545 2.05656
31 4M00 SUC 0.0171 0.42598 2.05656
32 4N49 SAM 0.0103 0.411 2.05656
33 2ZWA SAH 0.01132 0.40633 2.05656
34 2B9W FAD 0.00004112 0.40602 2.05656
35 4ZNO SUC 0.0016 0.48651 2.08955
36 3C6K SPD 0.001789 0.41061 2.09974
37 3C6K MTA 0.001789 0.41061 2.09974
38 2Q1W NAD 0.0008186 0.42826 2.1021
39 2Q1S NAI 0.0005155 0.426 2.12202
40 2EG5 SAH 0.003936 0.44826 2.15054
41 2BZG SAH 0.006107 0.42774 2.15517
42 2PT9 S4M 0.001575 0.43422 2.18069
43 3OU2 SAH 0.007291 0.40648 2.29358
44 3JWH SAH 0.003561 0.45478 2.30415
45 1VQW FAD 0.00001097 0.49521 2.31362
46 2GVC FAD 0.00001212 0.4936 2.31362
47 2Y6Q FAD 0.00001724 0.49154 2.31362
48 5DNK SAH 0.0009624 0.48884 2.31362
49 2GV8 FAD 0.00001658 0.48503 2.31362
50 3PT9 SAH 0.0003818 0.48375 2.31362
51 1D4D FAD 0.000009414 0.45885 2.31362
52 4KRG SAH 0.002386 0.45064 2.31362
53 1O0S NAI 0.0009524 0.45005 2.31362
54 3QVP FAD 0.00002505 0.44521 2.31362
55 5THY SAH 0.002634 0.43757 2.31362
56 5THZ SAH 0.004338 0.42164 2.31362
57 2Y6Q I7T 0.00006348 0.42163 2.31362
58 1P31 EPU 0.008517 0.421 2.31362
59 2Q28 ADP 0.01074 0.41318 2.31362
60 1R55 097 0.02658 0.41781 2.33645
61 2DT5 NAD 0.0007993 0.43713 2.36967
62 1DSS NAD 0.0001194 0.48086 2.4024
63 1VDC FAD 0.0000866 0.41636 2.4024
64 4KOA NDP 0.01455 0.41327 2.4024
65 1TPY SAH 0.001743 0.44209 2.43902
66 3GU3 SAH 0.0109 0.43419 2.46479
67 2I7C AAT 0.00132 0.41545 2.4735
68 5FA8 SAM 0.006137 0.41513 2.48447
69 1F3L SAH 0.001748 0.44204 2.49221
70 2HNK SAH 0.002712 0.437 2.51046
71 3EVG SAH 0.007701 0.42304 2.54545
72 3LCC SAH 0.001121 0.46621 2.55319
73 2WET FAD 0.00002732 0.45186 2.57069
74 5MQ6 NDP 0.003386 0.42628 2.57069
75 2FN1 PYR 0.03457 0.41457 2.57069
76 1E1M FAD 0.00003121 0.41163 2.57069
77 1E1M NAP 0.00003121 0.41163 2.57069
78 4D3F NAP 0.01413 0.40208 2.58065
79 3G2O SAM 0.0006759 0.47222 2.67559
80 4ZCC FAD 0.00001642 0.42723 2.67857
81 4ZCC NAI 0.00001642 0.42723 2.67857
82 1Z3C SA8 0.001483 0.42375 2.68456
83 3BGD SAH 0.002355 0.43309 2.69231
84 3BGD PM6 0.004689 0.40919 2.69231
85 3LZW FAD 0.000009116 0.48085 2.71084
86 3LZW NAP 0.0000279 0.4004 2.71084
87 3O7W SAM 0.01137 0.4254 2.72109
88 4XUC SAM 0.001743 0.41103 2.75229
89 4XUC 43G 0.001743 0.41103 2.75229
90 3OFK SAH 0.00007165 0.50295 2.77778
91 1L1E SAH 0.001209 0.45271 2.78746
92 4ONQ SFG 0.01485 0.40971 2.80112
93 3ICT ADP 0.00001207 0.57972 2.82776
94 3ICS ADP 0.00002184 0.56668 2.82776
95 2QA1 FAD 0.000005162 0.49988 2.82776
96 4C4A SAH 0.0001866 0.49351 2.82776
97 2YG3 FAD 0.000005173 0.47963 2.82776
98 3ICS FAD 0.00001063 0.47854 2.82776
99 3ICR FAD 0.00000868 0.47828 2.82776
100 3ICT FAD 0.00001559 0.47597 2.82776
101 5WGR FAD 0.00001721 0.46237 2.82776
102 4D7E FAD 0.00004975 0.46132 2.82776
103 3WGT FAD 0.000000006181 0.5378 2.88184
104 3WGT QSC 0.000000006826 0.53165 2.88184
105 3ZNN FAD 0.000000004765 0.50417 2.88184
106 3ZNN 4WL 0.000000004765 0.50417 2.88184
107 2D2I NAP 0.001648 0.43653 2.89474
108 1P77 ATR 0.0004701 0.51741 2.94118
109 4PNE SAH 0.005508 0.41716 2.98013
110 3Q3C NAD 0.005656 0.41382 3.01003
111 1V6A TRE 0.001993 0.48567 3.01205
112 5M58 SAH 0.02071 0.40008 3.04348
113 3AB1 FAD 0.0000112 0.46829 3.05556
114 2IVD FAD 0.00001684 0.47803 3.08483
115 3OJO NAD 0.0004595 0.4637 3.08483
116 3LXD FAD 0.00002433 0.45631 3.08483
117 1HYH NAD 0.0007722 0.43196 3.08483
118 1WDK NAD 0.005794 0.41621 3.08483
119 3U31 NAD 0.003476 0.42892 3.10345
120 2CVZ NDP 0.008126 0.40199 3.11419
121 3LKZ SFG 0.005057 0.42814 3.11526
122 3KLJ FAD 0.00000425 0.51051 3.11688
123 1DL5 SAH 0.003692 0.41604 3.15457
124 1XDS SAM 0.005041 0.44294 3.20856
125 1QZZ SAM 0.009184 0.43001 3.20856
126 1L5Y BEF 0.04387 0.40328 3.22581
127 5KVA SAM 0.0009483 0.4537 3.23741
128 5JE0 AZ8 0.0009964 0.42772 3.23887
129 5JE0 SAH 0.0009964 0.42772 3.23887
130 3GEG NAD 0.006116 0.40454 3.23887
131 3B20 NAD 0.003656 0.42186 3.24484
132 3B1J NAD 0.001732 0.42113 3.24484
133 2YX1 SFG 0.000976 0.47825 3.27381
134 4RL4 PPV 0.03985 0.40142 3.30189
135 1HDG NAD 0.0008337 0.44573 3.31325
136 5E1M SAH 0.0007286 0.46255 3.3195
137 4E5N NAD 0.004169 0.40386 3.33333
138 2CDU ADP 0.000003634 0.58426 3.3419
139 2R4J 13P 0.00000004073 0.49677 3.3419
140 2R4J FAD 0.00000004073 0.49677 3.3419
141 3X0D SAH 0.000175 0.49477 3.3419
142 2CDU FAD 0.00001371 0.48121 3.3419
143 1ZGS XMM 0.00901 0.45134 3.3419
144 1SOW NAD 0.002848 0.40781 3.35366
145 1ZGA SAH 0.005126 0.44258 3.36134
146 2ZIF SAM 0.001743 0.44926 3.367
147 1PL6 NAD 0.004957 0.42527 3.37079
148 2V3A FAD 0.00002748 0.46431 3.38542
149 4R81 FMN 0.01539 0.40898 3.39806
150 5LOG SAH 0.002635 0.44107 3.43348
151 1A5Z NAD 0.000296 0.4759 3.44828
152 1KYQ NAD 0.00001145 0.56063 3.59897
153 2RGJ FAD 0.000005115 0.50753 3.59897
154 4AZW SAM 0.002575 0.44153 3.59897
155 1N2X SAM 0.003487 0.42573 3.65448
156 3WV8 ATP 0.00000864 0.55432 3.66972
157 5I7A 68Q 0.006151 0.42425 3.68098
158 2PV7 NAD 0.005784 0.40552 3.69128
159 5GM1 SAH 0.006922 0.41286 3.7037
160 2DFV NAD 0.008795 0.40058 3.7464
161 2YYY NAP 0.004189 0.40863 3.79009
162 2AG8 NAP 0.0009388 0.45762 3.80228
163 3VC1 SAH 0.007699 0.41087 3.84615
164 1LVL NAD 0.000003038 0.56898 3.85604
165 1KNR FAD 0.000005895 0.47826 3.85604
166 2HK9 ATR 0.001695 0.47611 3.85604
167 1BZL FAD 0.0002367 0.47157 3.85604
168 3NTA FAD 0.0000311 0.46245 3.85604
169 3NTD FAD 0.00003182 0.46211 3.85604
170 3NT6 FAD 0.00006077 0.45242 3.85604
171 1LVL FAD 0.00002294 0.44605 3.85604
172 1LTH NAD 0.001815 0.43475 3.85604
173 3P2E SAH 0.005278 0.42405 3.85604
174 3NJ4 NAD 0.0218 0.40063 3.85604
175 2DPM SAM 0.007641 0.41386 3.87324
176 4R6W SAH 0.002212 0.41196 3.87597
177 3I53 SAH 0.01581 0.40264 3.91566
178 1XTP SAI 0.001427 0.45713 3.93701
179 3A27 SAM 0.002284 0.44763 4.04412
180 3WLE NAD 0.002376 0.40166 4.10557
181 2IZ1 ATR 0.0006326 0.51549 4.11311
182 1RSG FAD 0.000003835 0.47493 4.11311
183 2E5V FAD 0.000005173 0.46767 4.11311
184 1YY5 FAD 0.000004213 0.46589 4.11311
185 4AZT SAM 0.002281 0.44766 4.11311
186 2ZXI FAD 0.0001171 0.44531 4.11311
187 4MOP 2H5 0.00001129 0.42727 4.11311
188 3K7M FAD 0.00001005 0.42622 4.11311
189 3QOX SAH 0.004224 0.42214 4.11311
190 4YMH SAH 0.00151 0.44838 4.16667
191 2VT3 ATP 0.00003732 0.55492 4.18605
192 3RKR NAP 0.03545 0.40741 4.19847
193 2XOC ADE 0.007464 0.45712 4.21456
194 3VYW SAM 0.003323 0.43305 4.22078
195 4OBW SAM 0.0009606 0.46512 4.28016
196 1WY7 SAH 0.012 0.40522 4.34783
197 4II2 ATP 0.000006675 0.55369 4.37018
198 1XHC FAD 0.00000845 0.48867 4.37018
199 4IV9 FAD 0.000008923 0.47224 4.37018
200 4EMI FAD 0.00002107 0.46829 4.37018
201 4UP3 FAD 0.00003242 0.45352 4.37018
202 1MV8 NAD 0.0005605 0.44957 4.37018
203 1N4W FAD 0.00002595 0.44519 4.37018
204 1PS9 FAD 0.00005987 0.44032 4.37018
205 1MUU NAD 0.001319 0.43744 4.37018
206 1I8T FAD 0.0001716 0.43309 4.37018
207 1PS9 NAP 0.002932 0.42015 4.37018
208 4UP3 NDP 0.00918 0.41035 4.37018
209 1EZ4 NAD 0.006218 0.40676 4.37018
210 2FK8 SAM 0.001113 0.45431 4.40252
211 1ZH8 NAP 0.00262 0.41938 4.41176
212 2EFJ SAH 0.004109 0.43942 4.42708
213 4NTC FAD 0.00001302 0.46199 4.47761
214 3DUW SAH 0.0006063 0.47017 4.4843
215 2UYQ SAM 0.001496 0.49157 4.51613
216 2VYN NAD 0.0005803 0.44263 4.53172
217 1GAD NAD 0.002456 0.4233 4.54545
218 1QO8 FAD 0.000003758 0.47521 4.59364
219 2O07 MTA 0.001773 0.42621 4.60526
220 2O07 SPD 0.002083 0.418 4.60526
221 1G60 SAM 0.00308 0.43798 4.61538
222 1ZMD NAI 0.00001193 0.5225 4.62725
223 4K5S FAD 0.000003108 0.51556 4.62725
224 3SSO SAH 0.0001588 0.49214 4.62725
225 5EB4 FAD 0.000004558 0.48126 4.62725
226 4YRY FAD 0.000007881 0.46504 4.62725
227 3L9W GSH 0.0002225 0.45911 4.62725
228 2X3N FAD 0.00009908 0.44786 4.62725
229 3L9W AMP 0.0004265 0.44185 4.62725
230 1ZMD FAD 0.00004218 0.43789 4.62725
231 4K5S PM0 0.0000195 0.42941 4.62725
232 4YRY NAD 0.00001896 0.41925 4.62725
233 5MZI FAD 0.00001486 0.40783 4.62725
234 5MZI FYK 0.00001628 0.40423 4.62725
235 4JK3 NAD 0.0007003 0.44561 4.6332
236 2FKA BEF 0.001002 0.51033 4.65116
237 1KYZ SAH 0.01619 0.40796 4.65753
238 3QJ4 FAD 0.00001635 0.47209 4.67836
239 3FGZ BEF 0.02765 0.415 4.6875
240 1BXK NAD 0.006418 0.40127 4.78873
241 1RJD SAM 0.02232 0.40141 4.79042
242 1CER NAD 0.0009254 0.44065 4.83384
243 1R18 SAH 0.003309 0.42986 4.84582
244 4X9M FAD 0.000000006322 0.57653 4.88432
245 4TXI FAD 0.000003857 0.51607 4.88432
246 3OZ2 FAD 0.000002326 0.49112 4.88432
247 2Z3Y F2N 0.000001424 0.48414 4.88432
248 2JB2 FAD 0.00001006 0.47468 4.88432
249 2BRY FAD 0.000004775 0.47293 4.88432
250 4KRI SAH 0.0005104 0.46946 4.88432
251 2JB2 PHE 0.00001076 0.46912 4.88432
252 4EIP K2C 0.00004402 0.4671 4.88432
253 4EIP FAD 0.00004402 0.42668 4.88432
254 5AOA PPI 0.01758 0.4211 4.8951
255 5GZ6 7C3 0.004199 0.42225 4.90798
256 5GZ6 NDP 0.006158 0.42104 4.90798
257 5JE8 NAD 0.0002621 0.46665 4.96689
258 1XXR MAN 0.01364 0.42634 4.96894
259 3A25 SAM 0.002319 0.44732 4.98339
260 3QV1 NAD 0.001471 0.43547 5.04451
261 1J49 NAD 0.003653 0.41098 5.1051
262 5O4J PJL 0.001562 0.41518 5.10949
263 5O4J SAH 0.001664 0.41176 5.10949
264 5O4J 9KH 0.001664 0.41176 5.10949
265 5E9W SAH 0.001369 0.47579 5.12821
266 1X14 NAD 0.00001504 0.555 5.14139
267 4USQ FAD 0.000002044 0.5183 5.14139
268 3GDN FAD 0.000004153 0.47325 5.14139
269 3G5S FAD 0.00002808 0.46703 5.14139
270 4BV6 FAD 0.000009674 0.46581 5.14139
271 2RAB FAD 0.000007462 0.45715 5.14139
272 3GDN HBX 0.000003208 0.44545 5.14139
273 3WE0 FAD 0.00004232 0.43971 5.14139
274 3GD4 NAD 0.001958 0.43655 5.14139
275 1ZK7 FAD 0.00004991 0.42919 5.14139
276 5MPT SAH 0.005851 0.42861 5.14139
277 1LDN NAD 0.001758 0.41826 5.14139
278 1UP7 NAD 0.006434 0.40875 5.14139
279 2AQJ TRP 0.0000248 0.40521 5.14139
280 2AQJ FAD 0.00002563 0.40243 5.14139
281 3GD4 FAD 0.00003414 0.40106 5.14139
282 3T31 FAD 0.00005739 0.40025 5.14139
283 2OOR NAD 0.0003983 0.47024 5.17241
284 5E72 SAM 0.004052 0.42599 5.20231
285 5D4V SAH 0.0005623 0.46367 5.22388
286 3F8D FAD 0.0001165 0.47065 5.26316
287 1QAN SAH 0.0003861 0.47084 5.32787
288 3L4S NAD 0.003379 0.40501 5.35714
289 3L4S 3PG 0.003664 0.4014 5.35714
290 1VBO MAN MAN MAN 0.01669 0.42659 5.36913
291 1VBO MAN 0.01131 0.42539 5.36913
292 3IHG FAD 0.000005068 0.52412 5.39846
293 4HA6 FAD 0.000001577 0.48188 5.39846
294 4Z24 FAD 0.000003706 0.4751 5.39846
295 3FG2 FAD 0.00006962 0.46539 5.39846
296 4C3Y FAD 0.00002996 0.45111 5.39846
297 3Q9T FAY 0.00008741 0.44697 5.39846
298 5TUF FAD 0.0003421 0.44256 5.39846
299 5AYV NAP 0.001939 0.43674 5.39846
300 4C3Y ANB 0.00003625 0.43089 5.39846
301 1Q0S SAH 0.002551 0.42849 5.40541
302 2NXE SAM 0.0001795 0.49899 5.51181
303 3EGV SAH 0.0004241 0.48623 5.51181
304 2XVF FAD 0.000151 0.44145 5.60345
305 2IID PHE 0.000007914 0.4274 5.62249
306 2IID FAD 0.000007914 0.4274 5.62249
307 5J60 FAD 0.000002109 0.49239 5.625
308 4J36 FAD 0.000002168 0.52138 5.65553
309 2DKH FAD 0.000004109 0.51106 5.65553
310 2NVK NAP 0.001078 0.49782 5.65553
311 5VN0 NAI 0.00004943 0.49272 5.65553
312 2DKH 3HB 0.000003769 0.4889 5.65553
313 2GMH FAD 0.000003543 0.48105 5.65553
314 1X87 NAD 0.0001994 0.47933 5.65553
315 1Q1R FAD 0.00002218 0.47061 5.65553
316 5VN0 FAD 0.00003319 0.46148 5.65553
317 2NVK FAD 0.00001867 0.45671 5.65553
318 4J36 1HR 0.00001253 0.45436 5.65553
319 1PN0 FAD 0.000009869 0.44295 5.65553
320 1PN0 IPH 0.00001026 0.43997 5.65553
321 5MBX FAD 0.000004474 0.4336 5.65553
322 5MBX SP5 0.000004474 0.4336 5.65553
323 4M52 FAD 0.00009386 0.43032 5.65553
324 2A8X FAD 0.0001702 0.4189 5.65553
325 3VY6 BGC BGC 0.0001468 0.53949 5.67376
326 3AYI FAD 0.000005724 0.43871 5.68655
327 3AYI HCI 0.000005715 0.43594 5.68655
328 5BUK FAD 0.000004629 0.46435 5.77778
329 3GDH SAH 0.0006855 0.45267 5.80913
330 2EJU SAH 0.0009528 0.46529 5.82011
331 4JNA FAD 0.000009991 0.46115 5.88235
332 5EOW FAD 0.000003103 0.51166 5.9126
333 5G3U FDA 0.000003642 0.49459 5.9126
334 3E1T FAD 0.000003631 0.47118 5.9126
335 2HQM FAD 0.000004816 0.47096 5.9126
336 1BW9 NAD 0.0007871 0.45726 5.9126
337 5G3U ITW 0.00001214 0.45167 5.9126
338 4JDR FAD 0.00003076 0.44957 5.9126
339 1GPE FAD 0.00002102 0.44007 5.9126
340 3LAD FAD 0.00006742 0.43515 5.9126
341 1C1X NAD 0.002687 0.4217 5.9126
342 1BXG NAD 0.002836 0.42074 5.9126
343 5AHO TLA 0.003026 0.46289 5.95238
344 3CTY FAD 0.000002239 0.4754 5.95611
345 1RP0 AHZ 0.00002325 0.48663 5.98592
346 5TQZ GLC 0.00533 0.4575 6
347 2PXX SAH 0.001737 0.44932 6.04651
348 3H8V ATP 0.0001289 0.50568 6.16438
349 4REP FAD 0.00002119 0.46359 6.16967
350 3B1F NAD 0.003177 0.43064 6.16967
351 2XYQ SAH 0.003889 0.43687 6.2069
352 3V1Y NAD 0.0002759 0.46217 6.23145
353 5MGZ SAH 0.005643 0.42597 6.35593
354 3CIF NAD 0.0003262 0.45254 6.40669
355 3CIF G3H 0.001756 0.40858 6.40669
356 1G55 SAH 0.00142 0.45332 6.41399
357 1Y8Q ATP 0.00001225 0.5267 6.42674
358 2C7G ODP 0.0000399 0.40573 6.42674
359 2C7G FAD 0.00004243 0.40229 6.42674
360 5L95 AMP 0.0003812 0.47936 6.45161
361 1V59 NAD 0.0000004141 0.65376 6.48536
362 1V59 FAD 0.00006057 0.42596 6.48536
363 2ZFU SAH 0.009601 0.41239 6.51163
364 4EMJ FAD 0.00002579 0.4606 6.54206
365 5DX0 SFG 0.0009858 0.4427 6.59026
366 5DWQ SFG 0.001249 0.44163 6.59026
367 5DXA SFG 0.003112 0.42787 6.59026
368 5DX8 SFG 0.003576 0.42526 6.59026
369 5DX1 SFG 0.004169 0.41661 6.59026
370 1I1N SAH 0.006656 0.40305 6.63717
371 4CNK FAD 0.00001477 0.47361 6.64962
372 5TUK FAD 0.00008565 0.47917 6.6838
373 1NAA 6FA 0.000004098 0.46958 6.6838
374 2JJQ SAH 0.003839 0.4488 6.6838
375 1NAA ABL 0.000002595 0.44224 6.6838
376 3BXO SAM 0.005245 0.44208 6.69456
377 1FL2 FAD 0.00001148 0.47271 6.77419
378 3EGI ADP 0.0001833 0.53963 6.79612
379 1H82 FAD 0.000002262 0.43905 6.99153
380 1H82 GZZ 0.000003029 0.42206 6.99153
381 4POO SAM 0.001356 0.44013 7
382 1ZQ9 SAM 0.00001606 0.54772 7.01754
383 4NTD FAD 0.00004048 0.45851 7.05882
384 2AOT SAH 0.0008175 0.47726 7.19178
385 1JQD SAH 0.003878 0.40747 7.19178
386 1JQD HSM 0.006709 0.4054 7.19178
387 2RGH FAD 0.0000001278 0.53301 7.19794
388 3S5W FAD 0.000004264 0.51852 7.19794
389 5HSA FAS 0.000001636 0.48886 7.19794
390 4USR FAD 0.000002961 0.47909 7.19794
391 5KMS FAD 0.00001768 0.47728 7.19794
392 1SQF SAM 0.003267 0.44039 7.19794
393 3S5W NAP 0.01332 0.41845 7.19794
394 1REO FAD 0.000004134 0.4878 7.20165
395 2P41 SAH 0.006187 0.42747 7.21311
396 5LD5 NAD 0.001318 0.44397 7.26257
397 2VDV SAM 0.003977 0.44804 7.31707
398 2PX8 SAH 0.01672 0.40436 7.43494
399 5TS5 FAD 0.000002437 0.48618 7.43802
400 2RGO FAD 0.00000004515 0.56483 7.45501
401 5EZ7 FAD 0.000000268 0.5283 7.45501
402 1COY FAD 0.000008232 0.46885 7.45501
403 5UAO FAD 0.000109 0.44366 7.45501
404 1COY AND 0.00001874 0.41211 7.45501
405 1DXY NAD 0.004064 0.41433 7.50751
406 2B4R AES 0.0003654 0.44745 7.53623
407 2B4R NAD 0.0005176 0.43862 7.53623
408 3VSE SAH 0.0004969 0.49806 7.53769
409 5FUI APY 0.006737 0.42814 7.57576
410 3C3Y SAH 0.009045 0.41659 7.59494
411 5BVA FAD 0.000006308 0.45995 7.71208
412 4M73 SAH 0.0009673 0.41554 7.71513
413 4M73 M72 0.001502 0.40652 7.71513
414 3MB5 SAM 0.0006231 0.458 7.84314
415 1DJN ADP 0.000029 0.51543 7.96915
416 1MO9 KPC 0.00002272 0.50348 7.96915
417 1MO9 FAD 0.00002844 0.49902 7.96915
418 1O94 ADP 0.00005564 0.49886 7.96915
419 4MIG G3F 0.0000304 0.42488 7.96915
420 5HJM MTA 0.007181 0.42118 7.96915
421 3FZG SAM 0.004463 0.44153 8
422 1ZEM NAD 0.005477 0.40902 8.01527
423 2BQP GLC 0.001631 0.48501 8.11966
424 2G5C NAD 0.001319 0.42573 8.18505
425 1I9G SAM 0.0001722 0.49057 8.21429
426 5TTJ FAD 0.000008732 0.47665 8.22622
427 3CGB FAD 0.00003719 0.46276 8.22622
428 5JWC FAD 0.00009867 0.45368 8.22622
429 5TVF CGQ 0.02095 0.41567 8.23529
430 5BW4 SAM 0.00005312 0.52902 8.2397
431 3G6N MET ALA SER 0.03739 0.41373 8.37696
432 1OMO NAD 0.0002557 0.47081 8.38509
433 5J7X FAD 0.0001528 0.4386 8.48329
434 5JJR SAH 0.009808 0.41814 8.48329
435 5OFW 9TW 0.0371 0.41863 8.52018
436 2XVM SAH 0.002711 0.45628 8.54271
437 2Q0L FAD 0.0000181 0.4572 8.68167
438 2Q0L NAP 0.01849 0.41149 8.68167
439 3MQ2 SAH 0.01778 0.40911 8.7156
440 5X20 NAD 0.006174 0.40949 8.74036
441 4EUE NAI 0.003875 0.40276 8.74036
442 1VE3 SAM 0.01755 0.40631 8.81057
443 3GRU AMP 0.00007567 0.49747 8.81356
444 2BOS GLA GAL GLC NBU 0.04627 0.41205 8.82353
445 1C3M MAN MAN 0.003204 0.471 8.84354
446 5ULP KB1 0.00699 0.40991 8.95522
447 2VVM FAD 0.000006155 0.47719 8.99743
448 2VVL FAD 0.0000046 0.47686 8.99743
449 2CUL FAD 0.00005071 0.4641 9.05172
450 1HE1 AF3 0.02186 0.42658 9.09091
451 3DXY SAM 0.0002804 0.51063 9.17431
452 3GCZ SAM 0.007203 0.42439 9.21986
453 4YNU FAD 0.000001911 0.47484 9.2545
454 4YNU LGC 0.000001857 0.4593 9.2545
455 4K28 NAD 0.003798 0.4183 9.29368
456 2F5Z FAD 0.00003955 0.43861 9.375
457 1JQ3 AAT 0.001162 0.41996 9.45946
458 3QFA FAD 0.00001262 0.45794 9.48276
459 1FEC FAD 0.00003095 0.43198 9.51157
460 1QCI ADE 0.04068 0.40426 9.54198
461 9LDB NAD 0.003645 0.40611 9.63855
462 9LDT NAD 0.003787 0.40547 9.63855
463 5N53 8NB 0.01286 0.44172 9.74359
464 4UP4 NAG 0.01696 0.4215 9.76864
465 4UP4 NDG 0.01696 0.4215 9.76864
466 1WS4 GYP 0.005666 0.43714 9.77444
467 1WS5 MMA 0.008213 0.43663 9.77444
468 1JAC AMG 0.009007 0.43111 9.77444
469 1UGY GLA BGC 0.009478 0.42695 9.77444
470 1JOT GAL A2G 0.006132 0.42593 9.77444
471 1WS4 AMG 0.01057 0.4221 9.77444
472 1UGY GLA GLC 0.008833 0.41903 9.77444
473 1UGW GAL 0.007391 0.4153 9.77444
474 3LLZ GAL NGA 0.02582 0.41337 9.77444
475 1KUJ MMA 0.01276 0.41159 9.77444
476 4AKB GAL 0.01728 0.41082 9.77444
477 1M26 GAL A2G 0.03216 0.40824 9.77444
478 4NEC SAH 0.02308 0.40679 9.84848
479 3CBG SAH 0.002064 0.45362 9.91379
480 2HMT NAI 0.00004598 0.51141 10.0257
481 3S1S SAH 0.0009553 0.45 10.0257
482 4DSU BZI 0.02269 0.42795 10.0529
483 2PWY SAH 0.0003294 0.46994 10.0775
484 1E6E FAD 0.000006664 0.49234 10.1562
485 1NV8 MEQ 0.002903 0.41758 10.2113
486 1NV8 SAM 0.003122 0.41369 10.2113
487 4YSX FAD 0.00001134 0.46831 10.6383
488 1XCL SAH 0.002905 0.40749 10.6383
489 1IM8 SAI 0.001154 0.45362 10.6557
490 2Q7V FAD 0.000003463 0.48048 10.7692
491 4AT0 FAD 0.0000508 0.42297 10.7969
492 3G89 SAM 0.00003795 0.54801 10.8434
493 3TLJ SAH 0.003134 0.42774 10.992
494 1J5P NAD 0.006876 0.40248 11.0672
495 3FUU ADN 0.00005217 0.51873 11.0701
496 3ITJ CIT 0.008526 0.4424 11.2426
497 3ITJ FAD 0.00009515 0.41284 11.2426
498 3DJE FSA 0.007422 0.45223 11.3111
499 3H2B SAH 0.001964 0.4469 11.33
500 4J56 FAD 0.00002736 0.44002 11.4035
501 1Q9I TEO 0.00001652 0.4147 11.5681
502 1Q9I FAD 0.00001652 0.4147 11.5681
503 3RNM FAD 0.00003208 0.44168 12.069
504 1P1C SAH 0.00008714 0.49483 12.5628
505 4QTU SAM 0.0004725 0.47511 12.5926
506 1I0B PEL 0.0147 0.43172 12.5964
507 1NW5 SAM 0.008738 0.41728 12.8527
508 1TH8 ADP 0.04289 0.40304 12.931
509 2NPX FAD 0.0001015 0.44748 12.9754
510 5FA5 MTA 0.0004065 0.49196 13.1105
511 4GQB 0XU 0.001056 0.44473 13.1105
512 2Y4S BCD 0.03264 0.41302 13.3676
513 3NKS FAD 0.00004913 0.45852 13.4172
514 1LOB MMA 0.02574 0.41857 13.4615
515 1NVM NAD 0.003273 0.4079 13.4615
516 1L3I SAH 0.001639 0.43049 13.5417
517 1LSS NAD 0.00002727 0.52636 13.5714
518 2YVJ NAI 0.0001308 0.50539 13.7615
519 2YVJ FAD 0.00005637 0.45643 13.7615
520 2HJR APR 0.0008007 0.4533 14.0244
521 1OFS SUC 0.006564 0.45312 14.5833
522 1JG3 ADN 0.00006818 0.51853 14.8936
523 4MO2 FDA 0.00007475 0.45214 14.91
524 4MO2 FAD 0.0000702 0.45026 14.91
525 1EJ0 SAM 0.0008268 0.46815 15
526 5JCA FAD 0.00001132 0.46001 15.1671
527 1TDF FAD 0.00006566 0.46092 15.8228
528 1TDF NAP 0.0002695 0.45692 15.8228
529 4FWE FAD 0.000002476 0.47707 16.1954
530 4GUT FAD 0.000001283 0.47438 16.1954
531 4IF4 BEF 0.02156 0.42652 16.3462
532 3HVJ 705 0.001291 0.40881 16.7421
533 5ODQ FAD 0.00002723 0.44853 17.1429
534 4RDH AMP 0.00000904 0.57198 17.7083
535 4RDI ATP 0.00002273 0.5407 17.7083
536 3R51 MMA 0.03884 0.41441 18.125
537 2V3B FAD 0.00002263 0.47031 18.1818
538 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.007527 0.45274 18.4211
539 4D79 ATP 0.00002191 0.54144 18.4783
540 4HSU FAD 0.000001797 0.47753 20
541 5E8J SAH 0.001635 0.46716 20.4545
542 2NU5 NAG 0.0001151 0.54457 21.3115
543 2HYR BGC GLC 0.0001046 0.54345 21.3115
544 2GUD BMA 0.0002006 0.52943 21.3115
545 2GUD MAN 0.0001549 0.52674 21.3115
546 2GUC MAN 0.0001698 0.52286 21.3115
547 2NUO BGC 0.0002285 0.51261 21.3115
548 2GUE NAG 0.00004362 0.50727 21.3115
549 2HYQ MAN MAN 0.001502 0.47907 21.3115
550 1RYI FAD 0.000000002564 0.5828 24.1645
551 3AXB FAD 0.000000000392 0.63699 25.7069
552 3AXB PRO 0.0000000002036 0.61155 25.7069
553 4RSL FAD 0.0000000004585 0.6402 25.8427
554 3NYC FAD 0.000000001928 0.53758 26.5092
555 3NYC IAR 0.000000001928 0.53758 26.5092
556 5FJN FAD 0.000000008076 0.55982 26.7352
557 5FJN BE2 0.000000007833 0.54302 26.7352
558 4GUS FAD 0.000001458 0.48006 28.5714
559 5I39 FAD 0.00000005498 0.55743 35.2185
560 2GAG FAD 0.000000002586 0.55962 38.0463
561 2GAG FOA 0.000000003962 0.5536 38.0463
562 2GAG NAD 0.00001408 0.47752 38.0463
563 1TOQ AMG 0.01216 0.40827 45
Pocket No.: 2; Query (leader) PDB : 1ELI; Ligand: PYC; 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: 1eli.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1ELI; Ligand: PYC; Similar sites found: 6
This union binding pocket(no: 3) in the query (biounit: 1eli.bio2) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DMG SAM 0.0129 0.42541 1.79949
2 1J1R ADE 0.0475 0.40866 3.44828
3 1YXM ADE 0.03741 0.4035 3.9604
4 5F8F SFG 0.01042 0.42263 4.50928
5 3PNA CMP 0.04953 0.40231 10.3896
6 1LES GLC FRU 0.0406 0.40683 13.4615
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