Receptor
PDB id Resolution Class Description Source Keywords
4WWZ 1.8 Å NON-ENZYME: OTHER UNDA COMPLEXED WITH 2,3-DODECENOIC ACID PSEUDOMONAS PROTEGENS PF-5 NON-HEME IRON DEPENDENT DESATURASE/DECARBOXYLASE 1-UNDECENEBIOSYNTHESIS ALIPHATIC MEDIUM-CHAIN 1-ALKENE BIOSYNTHESISMETALLOENZYME OXIDOREDUCTASE
Ref.: MICROBIAL BIOSYNTHESIS OF MEDIUM-CHAIN 1-ALKENES BY NONHEME IRON OXIDASE. PROC.NATL.ACAD.SCI.USA V. 111 18237 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3X1 A:302;
B:302;
Valid;
Valid;
none;
none;
submit data
198.302 C12 H22 O2 CCCCC...
SO4 A:305;
A:304;
B:307;
A:307;
B:308;
B:305;
A:306;
B:306;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
FE A:301;
B:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+3...
OXY B:303;
Invalid;
none;
submit data
31.999 O2 O=O
PSL A:303;
B:304;
Invalid;
Invalid;
none;
none;
submit data
176.126 O7 S2 [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WX0 1.7 Å NON-ENZYME: OTHER UNDA COMPLEXED WITH BETA-HYDROXYDODECANOIC ACID PSEUDOMONAS PROTEGENS PF-5 NON-HEME IRON DEPENDENT DESATURASE/DECARBOXYLASE 1-UNDECENEBIOSYNTHESIS ALIPHATIC MEDIUM-CHAIN 1-ALKENE BIOSYNTHESISMETALLOENZYME OXIDOREDUCTASE
Ref.: MICROBIAL BIOSYNTHESIS OF MEDIUM-CHAIN 1-ALKENES BY NONHEME IRON OXIDASE. PROC.NATL.ACAD.SCI.USA V. 111 18237 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4WWZ - 3X1 C12 H22 O2 CCCCCCCCC/....
2 4WX0 - HXD C12 H24 O3 CCCCCCCCC[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4WWZ - 3X1 C12 H22 O2 CCCCCCCCC/....
2 4WX0 - HXD C12 H24 O3 CCCCCCCCC[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4WWZ - 3X1 C12 H22 O2 CCCCCCCCC/....
2 4WX0 - HXD C12 H24 O3 CCCCCCCCC[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3X1; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 3X1 1 1
2 9OD 0.605263 0.73913
3 OLA 0.564103 0.863636
4 ELA 0.564103 0.863636
5 NER 0.564103 0.863636
6 VCA 0.525 0.863636
7 PAM 0.525 0.863636
8 MYZ 0.463415 0.818182
9 8YP 0.457143 0.65
10 OCD 0.457143 0.65
11 UNA 0.457143 0.65
12 ODD 0.454545 0.826087
13 KNA 0.444444 0.818182
14 TDA 0.444444 0.818182
15 F23 0.444444 0.818182
16 DCR 0.444444 0.818182
17 11A 0.444444 0.818182
18 STE 0.444444 0.818182
19 F15 0.444444 0.818182
20 PLM 0.444444 0.818182
21 DAO 0.444444 0.818182
22 DKA 0.444444 0.818182
23 MYR 0.444444 0.818182
24 EIC 0.434783 0.826087
25 OYA 0.428571 0.65
26 OCA 0.416667 0.818182
27 VA 0.413043 0.708333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WX0; Ligand: HXD; Similar sites found: 368
This union binding pocket(no: 1) in the query (biounit: 4wx0.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.003903 0.46636 None
2 1SS4 CIT 0.02439 0.44531 None
3 1SS4 GSH 0.01166 0.44373 None
4 4Q3F TLA 0.002576 0.43353 None
5 1UO4 PIH 0.01327 0.42875 None
6 1QH9 LAC 0.004095 0.42471 None
7 1O68 KIV 0.003209 0.41745 None
8 1YS4 NAP 0.00134 0.41743 None
9 2GJ3 FAD 0.003446 0.41396 None
10 1JH7 UVC 0.006354 0.41062 None
11 1N9L FMN 0.0008668 0.40218 None
12 1M5B BN1 0.003031 0.44034 0.760456
13 3H86 AP5 0.01105 0.41468 1.04167
14 3BW2 FMN 0.003166 0.41467 1.14068
15 3QP6 HL6 0.002758 0.40041 1.14068
16 2I0G I0G 0.0364 0.40527 1.16732
17 1R18 SAH 0.002558 0.40726 1.32159
18 1ULE GLA GAL NAG 0.01093 0.406 1.33333
19 2VQ5 LDP 0.0003603 0.49843 1.49254
20 2VQ5 HBA 0.001357 0.45307 1.49254
21 3O03 NAP 0.01064 0.41787 1.52091
22 3BK2 U5P 0.001974 0.41027 1.52091
23 2PT9 2MH 0.005634 0.41016 1.52091
24 2PT9 S4M 0.003058 0.40942 1.52091
25 1JIL 485 0.001855 0.40854 1.52091
26 1LDM NAD 0.03127 0.40215 1.52091
27 4TMK T5A 0.00755 0.40291 1.87793
28 4M51 BEZ 0.001967 0.45349 1.90114
29 3DG6 MUC 0.0002245 0.43954 1.90114
30 2DTX BMA 0.001827 0.43476 1.90114
31 2C31 TZD 0.008296 0.43061 1.90114
32 2C31 ADP 0.01155 0.42394 1.90114
33 3CEV ARG 0.002261 0.41812 1.90114
34 3CXO 1N5 0.002816 0.41794 1.90114
35 4DYO SD4 0.002294 0.41788 1.90114
36 3CXO 3LR 0.003152 0.41337 1.90114
37 2HFK E4H 0.005417 0.40816 1.90114
38 2YCJ C2F 0.0009546 0.40729 1.90114
39 4N02 FNR 0.01786 0.40577 1.90114
40 2YBQ UP2 0.009604 0.40342 1.90114
41 3MB5 SAM 0.008345 0.41773 1.96078
42 1FBY REA 0.0115 0.40429 2.09205
43 1MZV AMP 0.003818 0.40425 2.12766
44 4POJ 2VP 0.005484 0.41909 2.1645
45 2XDQ MGX 0.0002026 0.51075 2.28137
46 2HGZ PBF 0.0002728 0.44633 2.28137
47 3LTW HLZ 0.001581 0.44282 2.28137
48 4WVH ASP HIS ASP ALA HIS ALA 0.0006332 0.43993 2.28137
49 1TIW FAD 0.001285 0.43963 2.28137
50 1TIW TFB 0.001285 0.43963 2.28137
51 4OB6 S2T 0.0001846 0.43712 2.28137
52 2Q3M MLA 0.01045 0.4262 2.28137
53 1Z4V DAN 0.001025 0.42082 2.28137
54 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.00548 0.41706 2.28137
55 4OE4 NAD 0.003396 0.4142 2.28137
56 2VJJ RAM GLC GAL NAG NAG GLC 0.01344 0.40893 2.28137
57 1ZED PNP 0.014 0.4069 2.28137
58 1T26 GBD 0.04584 0.40665 2.28137
59 1T26 NAI 0.04584 0.40665 2.28137
60 3QV9 QV7 0.008434 0.40541 2.28137
61 1KOL NAD 0.008848 0.4048 2.28137
62 3TXO 07U 0.001182 0.40456 2.28137
63 2IZ1 ATR 0.01389 0.40141 2.28137
64 2YIV NBN 0.003772 0.43288 2.28659
65 2YIV YIV 0.01755 0.4084 2.28659
66 2FEQ 34P 0.0007009 0.40868 2.3166
67 2QZO KN1 0.005415 0.41224 2.32558
68 4MGB XDH 0.00749 0.40395 2.35294
69 1ZS6 ADP 0.004049 0.40813 2.36686
70 3UU7 2OH 0.01448 0.41167 2.39044
71 2B9W FAD 0.04287 0.40576 2.59434
72 1U7Z PMT 0.0007403 0.44269 2.65487
73 2GSD NAD 0.0002571 0.46301 2.6616
74 2BO4 FLC 0.001009 0.45892 2.6616
75 3RFV NAI 0.0003826 0.44611 2.6616
76 1NZY BCA 0.0004255 0.44439 2.6616
77 1Z42 HBA 0.01107 0.44376 2.6616
78 1DLJ UGA 0.00227 0.44064 2.6616
79 1DLJ NAI 0.00283 0.43677 2.6616
80 4JWX 1N4 0.001329 0.43307 2.6616
81 3GWT 066 0.001559 0.42767 2.6616
82 4HA6 FAD 0.004058 0.42513 2.6616
83 1WVG CXY 0.0008334 0.42491 2.6616
84 2J7T 274 0.001844 0.4221 2.6616
85 3RFV 15L 0.00162 0.42119 2.6616
86 3I0O SMI 0.003575 0.42119 2.6616
87 3V1U NAD 0.00163 0.4195 2.6616
88 2DKH 3HB 0.005501 0.41599 2.6616
89 4QVH COA 0.002402 0.4156 2.6616
90 2EB5 OXL 0.006633 0.41552 2.6616
91 1SSQ CYS 0.008193 0.41517 2.6616
92 3O2K QRP 0.002412 0.41188 2.6616
93 3IL6 B83 0.001503 0.41181 2.6616
94 4QN7 G39 0.005885 0.41057 2.6616
95 3I0O ADP 0.002646 0.41034 2.6616
96 4G1V FAD 0.003654 0.40954 2.6616
97 2DKH FAD 0.007258 0.40476 2.6616
98 1H2B NAJ 0.007371 0.40451 2.6616
99 2OHV NHL 0.005295 0.40353 2.6616
100 4K5S PM0 0.01804 0.40335 2.6616
101 3V1V GST 0.001299 0.4011 2.6616
102 1WVG APR 0.00517 0.40099 2.6616
103 1UOU CMU 0.002759 0.4004 2.6616
104 1EB9 HBA 0.001223 0.41798 2.67176
105 1X1T NAD 0.03106 0.40563 2.69231
106 4LSJ LSJ 0.0001226 0.45291 2.71318
107 2C2A ADP 0.0004144 0.41751 2.71318
108 4F2Q QUS 0.001166 0.40456 2.71318
109 1A8R GTP 0.002591 0.40335 2.71493
110 1LYX PGA 0.002489 0.40201 2.82258
111 2PJL 047 0.008926 0.40189 2.83401
112 1PR9 NAP 0.002331 0.42365 2.86885
113 3D3W NAP 0.003388 0.41489 2.86885
114 3WO0 ALA 0.0003166 0.46084 3.04183
115 3WO0 ADP 0.0003166 0.46084 3.04183
116 3ZGE ASP 0.002261 0.45062 3.04183
117 3ZPG 5GP 0.003975 0.44697 3.04183
118 2BLE 5GP 0.004949 0.43301 3.04183
119 4PLG NAI 0.002392 0.42798 3.04183
120 4PLG OXM 0.002392 0.42798 3.04183
121 2ZJF BSU 0.001175 0.42381 3.04183
122 3JDW ORN 0.0007049 0.41683 3.04183
123 1Z45 NAD 0.002901 0.41611 3.04183
124 1P9B IMO 0.001876 0.41562 3.04183
125 4BMO FMN 0.002893 0.41031 3.04183
126 1DSS NAD 0.002942 0.41004 3.04183
127 2QDT I38 0.001176 0.40909 3.04183
128 3OIG NAD 0.02059 0.40732 3.04183
129 1WL4 COA 0.01578 0.40162 3.04183
130 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.0211 0.40096 3.04183
131 1Y9Q MED 0.009336 0.409 3.125
132 4COQ SAN 0.000527 0.4637 3.23887
133 1GU3 BGC BGC BGC BGC BGC 0.007502 0.40238 3.3557
134 2XK9 XK9 0.0005961 0.44763 3.42205
135 3VPD ANP 0.0002363 0.44266 3.42205
136 4W6Z ETF 0.009486 0.42829 3.42205
137 4Q0A 4OA 0.0001362 0.42734 3.42205
138 2NX1 RP5 0.001835 0.42071 3.42205
139 1V35 NAI 0.006329 0.41557 3.42205
140 2NX1 PEP 0.002645 0.41478 3.42205
141 2GDZ NAD 0.003193 0.41454 3.42205
142 4Q3R XA2 0.002224 0.41453 3.42205
143 4LIT AKG 0.00652 0.41015 3.42205
144 4CMF PXG 0.01361 0.4091 3.42205
145 3SHR CMP 0.003021 0.40814 3.42205
146 1ZDT PEF 0.01106 0.40807 3.42205
147 1Q0H NDP 0.003282 0.43244 3.44828
148 1Q0H FOM 0.004685 0.42447 3.44828
149 3SCH TB6 0.0004275 0.46767 3.53535
150 2BZ1 TAU 0.001648 0.48666 3.57143
151 1VDC FAD 0.001119 0.45124 3.6036
152 1ZDU P3A 0.01631 0.4002 3.67347
153 4AF5 CIT 0.001941 0.43892 3.68421
154 1V7R CIT 0.009502 0.43627 3.76344
155 2OWZ CIT 0.0001292 0.49041 3.80228
156 1RYI GOA 0.003185 0.48022 3.80228
157 2ZWS PLM 0.005336 0.45898 3.80228
158 1R37 NAD 0.001181 0.43623 3.80228
159 3W54 RNB 0.0003125 0.43438 3.80228
160 2VAR AMP 0.00229 0.41274 3.80228
161 1IYE PGU 0.006366 0.4045 3.80228
162 3PFG SAM 0.01263 0.40275 3.80228
163 3PFG TLO 0.01263 0.40275 3.80228
164 2Q8M AMP 0.003517 0.40098 3.80228
165 2F01 BTN 0.009466 0.4246 3.93701
166 2F01 BTQ 0.01499 0.41621 3.93701
167 1ZZ7 S0H 0.0006425 0.44594 4.0404
168 1C3V NDP 0.00647 0.40423 4.08163
169 1HDR NAD 0.002322 0.43938 4.09836
170 2HMT NAI 0.01195 0.40981 4.16667
171 2Q8H TF4 0.000991 0.47675 4.18251
172 2VDJ HSE 0.001087 0.46568 4.18251
173 4B7E OGA 0.0004323 0.45993 4.18251
174 1IUP ALQ 0.00169 0.42496 4.18251
175 3P3N AKG 0.004113 0.42463 4.18251
176 2WA4 069 0.001109 0.41955 4.18251
177 3GE7 AFQ 0.00316 0.41859 4.18251
178 1PX8 XYP 0.00463 0.41644 4.18251
179 4IVG ANP 0.009461 0.41552 4.18251
180 1P72 ADP 0.004487 0.41027 4.18251
181 4CCO OGA 0.005004 0.40957 4.18251
182 2AMV BIN 0.01447 0.40801 4.18251
183 1H8G CHT 0.02343 0.42396 4.21053
184 3D2Y AH0 ALA FGA LYS 0.0003942 0.41304 4.21456
185 2EWM NAD 0.001152 0.43265 4.41767
186 3PNA CMP 0.003946 0.40858 4.54545
187 3LZW NAP 0.002277 0.44621 4.56274
188 3LZW FAD 0.00107 0.44272 4.56274
189 3Q9T FAY 0.002222 0.43034 4.56274
190 3I51 45C 0.001062 0.42025 4.56274
191 1GPJ CIT 0.007487 0.41322 4.56274
192 1C0I BE2 0.01031 0.41074 4.56274
193 1C0I FAD 0.01031 0.41074 4.56274
194 1A59 CIT 0.01386 0.4071 4.56274
195 3ZS7 ATP 0.002859 0.40551 4.56274
196 3B1F NAD 0.003045 0.40452 4.56274
197 2TPL HPP 0.004315 0.40389 4.56274
198 2R40 20E 0.004143 0.40298 4.56274
199 2Y7P SAL 0.003247 0.41724 4.58716
200 1WGC SIA GAL BGC 0.01451 0.42672 4.67836
201 4IAE 1DX 0.001795 0.44433 4.7619
202 2IYG FMN 0.001371 0.41613 4.83871
203 2VBQ BSJ 0.002577 0.42322 4.84848
204 1Y1A GSH 0.02152 0.42117 4.91803
205 1Q11 TYE 0.0003044 0.45917 4.94297
206 4NAO AKG 0.003517 0.43426 4.94297
207 2NLI LAC 0.00463 0.43421 4.94297
208 4B9E FAH 0.005363 0.42592 4.94297
209 1T8U UAP SGN IDS SGN 0.004087 0.42 4.94297
210 4NES UDP 0.0007705 0.41782 4.94297
211 2B4Q NAP 0.003267 0.41416 4.94297
212 2DWU DGL 0.003988 0.40839 4.94297
213 2NLI FMN 0.01903 0.40742 4.94297
214 4HZO COA 0.005678 0.40732 4.94297
215 3LST SAH 0.00279 0.40471 4.94297
216 1RY2 AMP 0.004746 0.40236 4.94297
217 1YRX FMN 0.002167 0.40417 4.95868
218 2ZSC BTN 0.000901 0.41787 4.96454
219 1WUR 8DG 0.001024 0.42166 5
220 1L2T ATP 0.0002355 0.44677 5.10638
221 3K3K A8S 0.0003608 0.40749 5.21327
222 2YC5 6BC 0.004827 0.4139 5.26316
223 3K37 BCZ 0.0163 0.41975 5.32319
224 3K7M FAD 0.03601 0.40832 5.32319
225 1LTH NAD 0.01634 0.40735 5.32319
226 1UXG FUM 0.01031 0.40429 5.32319
227 1UXG NAD 0.01031 0.40429 5.32319
228 1QF5 GDP 0.01737 0.40324 5.32319
229 1QF5 RPL 0.01737 0.40324 5.32319
230 1EDO NAP 0.009329 0.4267 5.32787
231 2V7T SAH 0.04494 0.40535 5.35117
232 1OAA OAA 0.001483 0.4425 5.40541
233 1SJW NGV 0.002011 0.40095 5.55556
234 1BTN I3P 0.008723 0.44745 5.66038
235 1VQ2 DDN 0.0005191 0.41543 5.69948
236 1I0Z OXM 0.002209 0.45957 5.70342
237 2XVE FAD 0.00239 0.44754 5.70342
238 1Q3Q ANP 0.002939 0.44089 5.70342
239 4LHM AZZ 0.001343 0.43915 5.70342
240 2C7G FAD 0.003572 0.43665 5.70342
241 3WE0 FAD 0.003227 0.42908 5.70342
242 2C7G ODP 0.005992 0.42668 5.70342
243 1U5R ATP 0.0006977 0.41699 5.70342
244 2PP3 LGT 0.001946 0.40585 5.70342
245 1NW5 SAM 0.002286 0.40529 5.70342
246 1H2M OGA 0.0003758 0.47013 5.76923
247 1XVB BHL 0.0192 0.4107 5.88235
248 3U4C NDP 0.001041 0.43142 6.04982
249 3MAG 3MA 0.005957 0.44677 6.08365
250 2HGS ADP 0.0002735 0.44243 6.08365
251 4NE2 SH2 0.004593 0.41473 6.08365
252 4NE2 ADP 0.004675 0.41327 6.08365
253 4NTD FAD 0.008576 0.40741 6.08365
254 3CBG SAH 0.001702 0.40571 6.08365
255 2O2C G6Q 0.001595 0.40446 6.08365
256 1DKU AP2 0.006287 0.40003 6.08365
257 1G8S MET 0.005365 0.41957 6.08696
258 1NF8 ISC 0.0004766 0.43313 6.28019
259 1ECM TSA 0.0003902 0.44822 6.42202
260 1GSA ADP 0.002624 0.43635 6.46388
261 1SQ5 PAU 0.001532 0.43055 6.46388
262 4KCF AKM 0.006963 0.42092 6.46388
263 4MZ7 DTP 0.003383 0.41359 6.46388
264 4MZ7 DGT 0.003769 0.41182 6.46388
265 1H16 PYR 0.01624 0.41 6.46388
266 1GSA GSH 0.01076 0.40644 6.46388
267 1FIQ MTE 0.005579 0.40538 6.46388
268 1WRA PC 0.01655 0.40358 6.46388
269 1YHM AHD 0.0104 0.40155 6.46388
270 1XHL NDP 0.0005661 0.44576 6.84411
271 3OND ADN 0.001719 0.44375 6.84411
272 3OND NAD 0.001719 0.44375 6.84411
273 2Q1A 2KT 0.002402 0.43486 6.84411
274 1OFH ADP 0.01329 0.41456 6.84411
275 2BGM NAJ 0.02447 0.40288 6.84411
276 2WQP WQP 0.005274 0.40216 6.84411
277 3A2Q ACA ACA 0.002156 0.4021 6.84411
278 1OGD RIP 0.002305 0.42331 6.87023
279 3U1T MLI 0.0009042 0.46108 7.22433
280 1GJW GLC 0.001557 0.45035 7.22433
281 4IHQ ADP 0.0004394 0.44619 7.22433
282 1GJW MAL 0.0006527 0.43357 7.22433
283 1SOW NAD 0.001901 0.42574 7.22433
284 1QW9 KHP 0.001794 0.41797 7.22433
285 4C0C WVH 0.01466 0.40376 7.22433
286 3ZF8 GDP 0.003976 0.40358 7.22433
287 3UH0 TSB 0.003805 0.40271 7.22433
288 2FR6 CTN 0.00007721 0.43431 7.53425
289 3UEC ALA ARG TPO LYS 0.01211 0.40977 7.53425
290 4RJK PYR 0.003755 0.4402 7.60456
291 3WBF NAP 0.001366 0.42699 7.60456
292 2YVF NAD 0.007715 0.42638 7.60456
293 2YVF FAD 0.007434 0.42638 7.60456
294 2RHQ GAX 0.00004059 0.42337 7.60456
295 3FED BIX 0.001157 0.41161 7.60456
296 4GYW UDP 0.004655 0.41093 7.60456
297 2PTZ PAH 0.001318 0.40735 7.60456
298 2CSN CKI 0.00392 0.40543 7.60456
299 1IM8 SAI 0.001064 0.41916 7.78689
300 1D3V ABH 0.002721 0.41129 7.98479
301 1RYD NDP 0.007071 0.40965 7.98479
302 1RTW MP5 0.0006801 0.4222 8.18182
303 3TKA CTN 0.001523 0.49923 8.36502
304 2AEB ABH 0.002415 0.4132 8.36502
305 1Y75 NAG 0.003106 0.41268 8.47458
306 4OYA 1VE 0.001689 0.4715 8.74525
307 3E5P PPI 0.04726 0.42241 8.74525
308 5EQU AKG 0.0145 0.41235 8.74525
309 3GM5 CIT 0.00407 0.42483 8.80503
310 3ZLM ANP 0.002505 0.40189 9.04255
311 3F81 STT 0.02506 0.40731 9.28962
312 2WGC SIA GAL BGC 0.005503 0.45826 9.35672
313 1R27 MGD 0.000442 0.45523 9.5057
314 3KMZ EQO 0.003607 0.43067 9.5057
315 2CKM AA7 0.002695 0.43022 9.5057
316 3NFZ 3NF 0.001909 0.41082 9.5057
317 2QF7 COA 0.001772 0.40731 9.5057
318 2J8Z NAP 0.005951 0.403 9.5057
319 1ECC PCP 0.00427 0.40088 9.5057
320 2JBH 5GP 0.003891 0.40882 9.77778
321 4USQ FAD 0.0067 0.40726 9.88593
322 3F3E LEU 0.002764 0.42553 10.2662
323 2GWD GLU 0.002078 0.41958 10.2662
324 3AHC TPP 0.005855 0.40459 10.2662
325 1H9G COA MYR 0.002751 0.41265 10.2881
326 1C1L GAL BGC 0.0006086 0.4689 10.9489
327 1T0I FMN 0.0004727 0.40809 10.9948
328 3S9K CIT 0.005816 0.45988 11.0169
329 2F2U M77 0.0006673 0.4332 11.0266
330 4PO2 ASN ARG LEU LEU LEU THR GLY 0.001597 0.41468 11.0266
331 3ZUY TCH 0.002359 0.41225 11.0266
332 3EW2 BTN 0.0001937 0.46022 11.1111
333 2QLX RM4 0.005131 0.42679 11.1111
334 2V5E SCR 0.000905 0.48904 11.5
335 3KFC 61X 0.01392 0.4111 11.8577
336 4KQI RBZ 0.0002612 0.45705 12.1673
337 4KQI NIO 0.0002612 0.45705 12.1673
338 4O8A 2OP 0.00952 0.42821 12.1673
339 2VKL MLT 0.007401 0.44189 12.2222
340 4B16 NAG 0.006539 0.44467 12.5475
341 1TDF FAD 0.004965 0.42434 12.5475
342 2JFV FLC 0.004611 0.42245 12.5475
343 1TDF NAP 0.0141 0.42026 12.5475
344 1T0S BML 0.0007264 0.47396 12.7907
345 1D6H COA 0.003543 0.42747 12.9278
346 1OLS TDP 0.009213 0.41183 13.308
347 1UW1 ADP 0.002841 0.42541 13.75
348 4DQ2 BTX 0.0000461 0.48218 14.0684
349 9LDT OXM 0.01771 0.42223 14.4487
350 1FBL HTA 0.004588 0.4012 14.4487
351 1EZV SMA 0.003958 0.40679 14.9533
352 4M5P MLA 0.001759 0.47415 15.2091
353 2FYU FDN 0.0008996 0.40132 15.3846
354 4UAL 3FV 0.0009029 0.40603 15.5894
355 3MBG FAD 0.01522 0.4016 16.5468
356 1TFZ 869 0.0005813 0.40135 17.1103
357 1EXB NDP 0.01855 0.41519 17.8707
358 2QJN KDG 0.001558 0.40932 17.8707
359 2OFD NGA 0.007746 0.41257 18.3099
360 3BY8 MLT 0.01286 0.40859 18.3099
361 2FOI JPA 0.003101 0.40771 18.3333
362 1V1A ADP 0.004513 0.40751 19.3916
363 3SQG COM 0.00283 0.46348 20.1521
364 1EYQ NAR 0.005217 0.40378 22.0721
365 3QDT A2G GAL 0.001264 0.46257 22.3776
366 3QDY A2G GAL 0.004129 0.43825 22.3776
367 3QDY CBS 0.007663 0.41885 22.3776
368 1Y2W NAG 0.006558 0.41574 24.6479
Pocket No.: 2; Query (leader) PDB : 4WX0; Ligand: HXD; Similar sites found: 54
This union binding pocket(no: 2) in the query (biounit: 4wx0.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BGQ RDC 0.001393 0.42363 1.33333
2 1O9U ADZ 0.0007738 0.48205 1.52091
3 4P3H 25G 0.005913 0.41953 1.5544
4 3A1I UNU 0.001924 0.41563 1.90114
5 2QS8 MET 0.004072 0.40919 1.90114
6 3PMA SCR 0.008564 0.40002 1.9305
7 1UBY DMA 0.0023 0.40112 2.28137
8 1O0D 163 0.0008219 0.41684 2.3166
9 4MG7 27H 0.003477 0.41885 2.35294
10 1Z44 NPO 0.00222 0.47965 2.6616
11 3QP4 HL0 0.0004613 0.42325 2.74725
12 2EFJ SAH 0.001092 0.4125 3.04183
13 3DAG FEG 0.004234 0.4042 3.04183
14 2NCD ADP 0.0103 0.40173 3.04183
15 1J5P NAD 0.000343 0.44788 3.16206
16 4AQL TXC 0.0004259 0.42687 3.42205
17 1PEA ACM 0.008419 0.42357 3.42205
18 3UXL CFI 0.03425 0.40017 3.42205
19 5RHN 8BR 0.00165 0.40395 3.47826
20 4TSK NDP 0.01636 0.41014 3.80228
21 2Q6B HR2 0.04889 0.40704 3.80228
22 1JA9 NDP 0.02351 0.4097 4.18251
23 4C6F DOR 0.003689 0.40482 4.18251
24 4C6F NCD 0.003689 0.40482 4.18251
25 1NN5 ANP 0.006059 0.40403 4.18605
26 1NN5 2DT 0.006059 0.40403 4.18605
27 2X61 NGA GAL SIA 0.01259 0.41485 4.26357
28 1AUA BOG 0.002809 0.41981 4.56274
29 1I9G SAM 0.01409 0.40529 4.56274
30 2PWY SAH 0.001783 0.41472 4.65116
31 4A3R CIT 0.002043 0.4283 4.94297
32 2ZJ5 ADP 0.005197 0.41432 4.94297
33 3P7I P7I 0.005287 0.40859 4.94297
34 4O1M NAD 0.007223 0.40115 4.94297
35 3SCM LGN 0.03121 0.4115 6.06061
36 2HGS GSH 0.0005213 0.41636 6.08365
37 4K30 NLG 0.002368 0.41218 6.25
38 1FIQ FAD 0.001668 0.43047 6.46388
39 3E81 SLB 0.004934 0.41527 6.70732
40 4GQB 0XU 0.006553 0.42357 6.84411
41 1F8F NAD 0.01158 0.41493 6.84411
42 1LC8 33P 0.005551 0.40133 6.84411
43 3PJU C2E 0.001791 0.41958 7.22892
44 3L24 GOA 0.005638 0.43947 7.60456
45 1B74 DGN 0.006018 0.43049 7.87402
46 2Q37 3AL 0.003319 0.42255 7.98479
47 1LVL FAD 0.01638 0.40097 7.98479
48 4JCA CIT 0.01081 0.43336 8.38323
49 4U9W SER GLY ARG GLY LYS NH2 0.008815 0.4073 8.69565
50 1ZFJ IMP 0.008635 0.41207 9.5057
51 2B82 ADN 0.002275 0.40728 10.9005
52 1UCN ADP 0.001477 0.41015 11.1842
53 1EZV UQ6 0.003893 0.40065 14.9533
54 2OFE NAG 0.01039 0.40696 18.3099
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