Receptor
PDB id Resolution Class Description Source Keywords
4C25 2.03 Å EC: 4.1.2.17 L-FUCULOSE 1-PHOSPHATE ALDOLASE STREPTOCOCCUS PNEUMONIAE LYASE FUCOSE PROCESSING
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF FUCOSE-PROCES ENZYMES FROM STREPTOCOCCUS PNEUMONIAE. J.MOL.BIOL. V. 426 1469 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:306;
A:307;
A:305;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SO4 A:304;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
GOL A:308;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
13P A:303;
Valid;
none;
submit data
170.058 C3 H7 O6 P C(C(=...
ZN A:301;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
NI A:302;
Part of Protein;
none;
submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4C25 2.03 Å EC: 4.1.2.17 L-FUCULOSE 1-PHOSPHATE ALDOLASE STREPTOCOCCUS PNEUMONIAE LYASE FUCOSE PROCESSING
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF FUCOSE-PROCES ENZYMES FROM STREPTOCOCCUS PNEUMONIAE. J.MOL.BIOL. V. 426 1469 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4C25 - 13P C3 H7 O6 P C(C(=O)COP....
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 4C25 - 13P C3 H7 O6 P C(C(=O)COP....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4C25 - 13P C3 H7 O6 P C(C(=O)COP....
2 1E47 - 13P C3 H7 O6 P C(C(=O)COP....
3 4FUA Ki = 4 uM PGH C2 H6 N O6 P C(C(=O)NO)....
4 1E48 - 13P C3 H7 O6 P C(C(=O)COP....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 13P; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 13P 1 1
2 PGA 0.5 0.818182
3 HPV 0.4375 0.90625
4 PGH 0.424242 0.622222
5 IBS 0.404255 0.815789
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4C25; Ligand: 13P; Similar sites found: 294
This union binding pocket(no: 1) in the query (biounit: 4c25.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3S9K CIT 0.0004764 0.55446 None
2 4JCA CIT 0.004464 0.47208 None
3 3I8T LBT 0.0005938 0.46848 None
4 2BZ1 TAU 0.007723 0.46846 None
5 1JGS SAL 0.009657 0.46292 None
6 4Q3F TLA 0.005931 0.43616 None
7 3I51 45C 0.001571 0.43397 None
8 1UO4 PIH 0.02909 0.42765 None
9 1NU4 MLA 0.006382 0.41874 None
10 1Q6O LG6 0.003747 0.41055 None
11 3ZZS TRP 0.00003648 0.40852 None
12 3EW2 BTN 0.01297 0.40573 None
13 4LZJ 22H 0.02985 0.40033 None
14 4Q3S X7A 0.0001015 0.43807 0.943396
15 4Q3R XA2 0.0001165 0.41032 0.943396
16 3OIG IMJ 0.0000382 0.43961 1.41509
17 1IZC PYR 0.0001657 0.43749 1.41509
18 3OIG NAD 0.000408 0.43461 1.41509
19 3CL7 HYN 0.0000167 0.42897 1.41509
20 4IU0 ABH 0.0005795 0.41956 1.41509
21 3MB5 SAM 0.000007784 0.48193 1.88679
22 3NOJ PYR 0.001829 0.45024 1.88679
23 4DYO SD4 0.002001 0.43997 1.88679
24 1G8S MET 0.009705 0.4262 1.88679
25 3CXO 1N5 0.0002311 0.4137 1.88679
26 4JEJ 1GP 0.006039 0.41075 1.88679
27 3MD0 GDP 0.01016 0.41022 1.88679
28 1E4I NFG 0.0008081 0.40111 1.88679
29 4LCQ URQ 0.0005047 0.40084 1.88679
30 4USR FAD 0.04482 0.40071 1.88679
31 2FMD MAN MAN 0.0000004393 0.45169 2.35849
32 2P69 PLP 0.003111 0.44298 2.35849
33 1KYQ NAD 0.001863 0.41375 2.35849
34 3UXL CFI 0.000002494 0.41208 2.35849
35 4A3R CIT 0.0004131 0.41193 2.35849
36 4QCK ASD 0.0007656 0.40506 2.35849
37 4MOB ADP 0.004981 0.40399 2.35849
38 1S8F GDP 0.006844 0.40454 2.82486
39 1FX8 BOG 0.00005963 0.47231 2.83019
40 1QO0 BMD 0.003732 0.44551 2.83019
41 1GJW GLC 0.005325 0.44468 2.83019
42 3LTW HLZ 0.005198 0.43883 2.83019
43 1PEA ACM 0.009843 0.43828 2.83019
44 1V6A TRE 0.004967 0.43386 2.83019
45 4AG5 ADP 0.00614 0.42107 2.83019
46 3M0J OAF 0.00007519 0.41594 2.83019
47 1FBL HTA 0.006804 0.41299 2.83019
48 1BGV GLU 0.00001057 0.41171 2.83019
49 4TMK T5A 0.009813 0.41071 2.83019
50 1W55 C 0.001501 0.40793 2.83019
51 4U36 TNR 0.0000941 0.40702 2.83019
52 1NJF ADP 0.01709 0.40465 2.83019
53 1RRC ADP 0.00008371 0.40407 2.83019
54 1E4E ADP 0.003583 0.40364 2.83019
55 1MVN FMN 0.0006708 0.40936 2.87081
56 2VQ5 HBA 0.003403 0.45405 2.98507
57 4AP9 1PS 0.00002224 0.40589 2.98507
58 3GM5 CIT 0.02424 0.40762 3.14465
59 2FH5 GTP 0.002086 0.40825 3.24324
60 1SS4 GSH 0.00682 0.47658 3.26797
61 4M7F BM3 0.0002381 0.4857 3.30189
62 2ZO9 MLI 0.0001095 0.483 3.30189
63 1LDM OXM 0.0001477 0.48094 3.30189
64 1GSA ADP 0.00001359 0.47201 3.30189
65 4GQB 0XU 0.0001342 0.44482 3.30189
66 1WDA BAG 0.002669 0.4347 3.30189
67 2ZWS PLM 0.03396 0.4316 3.30189
68 1JN2 SFP 0.001376 0.43144 3.30189
69 1GSA GSH 0.0002456 0.42612 3.30189
70 4KCF AKM 0.001982 0.4059 3.30189
71 1B5E DCM 0.01429 0.40394 3.30189
72 4KCF FMN 0.001136 0.40129 3.30189
73 4LTN NAI 0.0001377 0.44046 3.5533
74 4LTN FMN 0.0001632 0.43385 3.5533
75 4K30 NLG 0.01407 0.40005 3.75
76 3VCA PRO 0.0002312 0.48987 3.77358
77 1EDO NAP 0.00003128 0.47773 3.77358
78 1V8K ANP 0.000001903 0.45613 3.77358
79 4B9E FAH 0.003094 0.45604 3.77358
80 1A8S PPI 0.0008878 0.44643 3.77358
81 3RO7 TDR 0.000894 0.4419 3.77358
82 3FW3 GLC 0.03591 0.43795 3.77358
83 1LYX PGA 0.001292 0.4325 3.77358
84 4IXW IXW 0.004635 0.4246 3.77358
85 1RZM E4P 0.01395 0.42449 3.77358
86 3ZFD ANP 0.01363 0.40363 3.77358
87 3LZW FAD 0.001198 0.40176 3.77358
88 3LZW NAP 0.004042 0.40155 3.77358
89 2Y7P SAL 0.02055 0.4015 3.77358
90 3MMR ABH 0.001072 0.40056 3.77358
91 2FWP CIT 0.000009287 0.45421 3.82514
92 2FWP ICR 0.00003929 0.44228 3.82514
93 2Q37 3AL 0.02565 0.40169 3.8674
94 2W24 LYS 0.0004214 0.40308 4
95 1Y9Q MED 0.01484 0.4176 4.16667
96 3TKA CTN 0.001324 0.51065 4.24528
97 1YOA FMN 0.001637 0.5068 4.24528
98 3VGL BGC 0.000001739 0.4714 4.24528
99 1T26 NAI 0.000195 0.46434 4.24528
100 1T26 GBD 0.000195 0.46434 4.24528
101 1Z42 HBA 0.01451 0.45595 4.24528
102 1J2Z SOG 0.0003464 0.44685 4.24528
103 1X1T NAD 0.0005816 0.43698 4.24528
104 2AEB ABH 0.00005651 0.43538 4.24528
105 3ZPG 5GP 0.01581 0.43466 4.24528
106 1QDS PGA 0.002067 0.43415 4.24528
107 2YIV YIV 0.01759 0.42561 4.24528
108 4OYA 1VE 0.004881 0.41762 4.24528
109 2H6B 3C4 0.001481 0.41329 4.24528
110 1DXY COI 0.042 0.41232 4.24528
111 1YOE RIB 0.0002224 0.41104 4.24528
112 2NVK NAP 0.01253 0.41089 4.24528
113 1QH9 LAC 0.02387 0.40793 4.24528
114 4LKK SIA GAL 0.002858 0.40714 4.24528
115 2TOH HBI 0.0001049 0.40589 4.24528
116 2VAR AMP 0.01149 0.40366 4.24528
117 4N02 FNR 0.03025 0.40003 4.24528
118 4M6T SAM 0.0003188 0.41911 4.37158
119 4C4P GNP 0.01206 0.42192 4.62428
120 2Q1A 2KT 0.00001864 0.46877 4.71698
121 1V5F TPP 0.000913 0.4576 4.71698
122 1V5F FAD 0.000913 0.4576 4.71698
123 3L6R MLI 0.003217 0.45522 4.71698
124 2BNE U5P 0.00001917 0.44921 4.71698
125 2JE7 XMM 0.000008027 0.44539 4.71698
126 1YBH FAD 0.0007238 0.44125 4.71698
127 2EB5 OXL 0.00486 0.44018 4.71698
128 2NLI FMN 0.0001953 0.43771 4.71698
129 2NLI LAC 0.0001953 0.43771 4.71698
130 4AF0 MOA 0.00009464 0.43696 4.71698
131 1MVQ MMA 0.00001318 0.43612 4.71698
132 3L24 GOA 0.02399 0.42516 4.71698
133 1YBH P22 0.00009671 0.42468 4.71698
134 4G1V FAD 0.002828 0.42449 4.71698
135 3NKT 1HN 0.0001621 0.42203 4.71698
136 2QV7 ADP 0.001854 0.42202 4.71698
137 2Q8H TF4 0.03651 0.41554 4.71698
138 1F8F NAD 0.001386 0.41422 4.71698
139 3W54 RNB 0.00668 0.40495 4.71698
140 2D7C GTP 0.009069 0.42677 4.79042
141 3DUR KDO 0.01424 0.41326 4.95868
142 3FPZ AHZ 0.00001743 0.49247 5.18868
143 2BGM NAJ 0.00009449 0.45344 5.18868
144 1FNZ A2G 0.00006815 0.45021 5.18868
145 2GN2 C5P 0.00055 0.43709 5.18868
146 2IMP LAC 0.00000533 0.42873 5.18868
147 2IMP NAI 0.001738 0.4248 5.18868
148 3CEV ARG 0.004734 0.42421 5.18868
149 1R0X ATP 0.0001609 0.42127 5.18868
150 2VDJ HSE 0.02522 0.41771 5.18868
151 4C2G ALA ALA ALA ALA 0.0122 0.40685 5.18868
152 2WL9 MBD 0.0008942 0.40631 5.18868
153 1H8G CHT 0.01398 0.45374 5.26316
154 2J5S KTA 0.00343 0.40432 5.32319
155 2C5S AMP 0.009967 0.41056 5.32688
156 2X61 CH 0.00003226 0.45047 5.66038
157 4RJK PYR 0.01897 0.44615 5.66038
158 2X61 NGA GAL SIA 0.0005236 0.42946 5.66038
159 1O9U ADZ 0.02135 0.42782 5.66038
160 2Z5Y HRM 0.00007077 0.42529 5.66038
161 1T0S BML 0.02153 0.42119 5.66038
162 3DGB MUC 0.00564 0.41194 5.66038
163 2IZ1 ATR 0.02051 0.41103 5.66038
164 4NVP 7CH 0.00003259 0.40268 5.74163
165 2JFV FLC 0.008167 0.42969 5.84192
166 1O6B ADP 0.0005997 0.41744 5.91716
167 1ULE GLA GAL NAG 0.03042 0.41359 6
168 4LBP 1WG 0.0002666 0.40878 6
169 1I9G SAM 0.000003952 0.48633 6.13208
170 1RYI GOA 0.007644 0.47351 6.13208
171 3VOZ 04A 0.0001524 0.45743 6.13208
172 4LO6 SIA GAL 0.004233 0.45297 6.13208
173 4C3Y FAD 0.008077 0.44743 6.13208
174 1WL4 COA 0.0001161 0.43841 6.13208
175 1B74 DGN 0.01462 0.42965 6.13208
176 4M5P MLA 0.02678 0.42963 6.13208
177 2XDQ MGX 0.02423 0.42493 6.13208
178 1JQ5 NAD 0.006154 0.42293 6.13208
179 2Y6P CTP 0.005835 0.41572 6.13208
180 2YBQ UP2 0.0354 0.40922 6.13208
181 4QN7 G39 0.0005765 0.40763 6.13208
182 3GTD MLI 0.01901 0.40759 6.13208
183 4EXO PYR 0.02281 0.41992 6.16438
184 4DN8 BMA 0.0004801 0.48685 6.41026
185 2ET1 GLV 0.00001894 0.40222 6.46766
186 1NXJ TLA 0.00002509 0.48902 6.55738
187 1NXJ GLV 0.0004912 0.46564 6.55738
188 1O68 KIV 0.003492 0.43506 6.60377
189 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.002012 0.40527 6.60377
190 2VJJ RAM GLC GAL NAG NAG GLC 0.002709 0.40118 6.60377
191 2WCI GSH 0.009312 0.42158 6.66667
192 1ZC3 GNP 0.005628 0.43883 6.85714
193 3R51 MMA 0.0155 0.43511 6.875
194 1TV5 ORO 0.00003972 0.48164 7.07547
195 1ZFJ IMP 0.0001495 0.46949 7.07547
196 1GPJ CIT 0.005141 0.43905 7.07547
197 1XMV ADP 0.0002039 0.43809 7.07547
198 4HZX G39 0.0001593 0.42945 7.07547
199 1CBF SAH 0.001922 0.42143 7.07547
200 1I0Z OXM 0.0444 0.41104 7.07547
201 3EJ0 11X 0.002829 0.44188 7.14286
202 3PHQ KDO 0.01468 0.46017 7.20721
203 3H86 AP5 0.001133 0.41576 7.29167
204 2HVK TBA 0.000002813 0.59037 7.30594
205 2O66 FLC 0.0026 0.44648 7.40741
206 3B9Z CO2 0.00007443 0.52439 7.54717
207 2YP9 SIA CMO 0.0004128 0.44403 7.54717
208 1EXB NDP 0.0006145 0.43618 7.54717
209 2WIC GNP 0.0009733 0.40684 7.54717
210 2QIA U20 0.002952 0.40249 7.54717
211 1OGD RIP 0.002157 0.44415 7.63359
212 1A5Z OXM 0.000179 0.52522 8.01887
213 1XX4 BAM 0.001776 0.45081 8.01887
214 3Q3C NAD 0.000151 0.44319 8.01887
215 1A5Z FBP 0.0002102 0.44279 8.01887
216 3P3N AKG 0.005687 0.43701 8.01887
217 1OMZ UD2 0.0003417 0.42394 8.01887
218 1GOJ ADP 0.008549 0.41366 8.01887
219 1H2M OGA 0.01925 0.41231 8.01887
220 3ZGE ASP 0.04419 0.40535 8.01887
221 1Y75 NAG 0.01717 0.40056 8.47458
222 1JA9 PYQ 0.000005935 0.45613 8.49057
223 1JA9 NDP 0.0002647 0.44695 8.49057
224 1BTN I3P 0.02696 0.4403 8.49057
225 4COQ SAN 0.005208 0.43879 8.49057
226 3K9W ADE 0.007923 0.40889 8.55615
227 3K9W 4PS 0.007923 0.40889 8.55615
228 1NF8 BOG 0.02769 0.41004 8.69565
229 4G28 0W8 0.006254 0.41911 8.72483
230 1C1L GAL BGC 0.03361 0.40593 8.75912
231 9LDT OXM 0.005516 0.46709 8.96226
232 2CE7 ADP 0.002684 0.42025 8.96226
233 1Z45 GAL 0.02184 0.40033 8.96226
234 1OFH ADP 0.0001994 0.44385 9.1954
235 1WVC CTP 0.0001961 0.45947 9.43396
236 2QS8 MET 0.00003087 0.43561 9.43396
237 3MAG 3MA 0.03726 0.42173 9.43396
238 3F81 STT 0.03364 0.41742 9.83607
239 3BY8 MLT 0.01235 0.42706 9.85915
240 3QV9 QV7 0.004542 0.4356 9.90566
241 1VCO GLN 0.00009125 0.42952 9.90566
242 4HE2 AMP 0.00003698 0.42422 9.90566
243 1M2O GNP 0.02832 0.40007 10.5263
244 1Y2W NAG 0.01676 0.41513 10.5634
245 2F59 INI 0.004406 0.40044 10.828
246 1LTH NAD 0.0001012 0.44873 10.8491
247 3K3G MMU 0.009773 0.41807 10.8491
248 1SQ5 ADP 0.01057 0.40109 10.8491
249 2BLE 5GP 0.000007273 0.49136 11.7925
250 3A1I UNU 0.002903 0.42812 12.2642
251 1NVU GTP 0.00133 0.41479 12.2642
252 4WBD CIT 0.03296 0.41183 12.2642
253 4WBD ADP 0.03606 0.40444 12.2642
254 4PNO U5P 0.0001072 0.47415 12.5
255 2HV8 GTP 0.00951 0.42572 12.5
256 1SC3 MLI 0.002993 0.46415 12.9213
257 4OHB 5HM 0.003708 0.41072 13.1579
258 1UQX MMA 0.00002467 0.42656 13.2743
259 3QDT A2G GAL 0.0111 0.43565 13.2867
260 3QDY CBS 0.01108 0.42932 13.2867
261 4NTX AMR 0.008878 0.41992 13.3333
262 2OFD NGA 0.01047 0.42467 13.3803
263 2OFE NAG 0.01775 0.41397 13.3803
264 3E81 SLB 0.004608 0.43532 13.4146
265 3KPE TM3 0.01857 0.41304 13.7255
266 3O03 NAP 0.00008971 0.45417 14.0893
267 2YYJ 4HP 0.0007649 0.43809 14.6226
268 2YYJ FAD 0.0007649 0.43809 14.6226
269 1Q3Q ANP 0.0003168 0.4365 14.6226
270 4HZO COA 0.02008 0.40194 14.6226
271 2FOI JPA 0.007827 0.4105 15
272 4W6Z ETF 0.01137 0.44215 15.0943
273 3P7I P7I 0.003957 0.4327 15.0943
274 2HMT NAI 0.00001545 0.47026 15.2778
275 2DWU DGL 0.01365 0.40479 15.566
276 2BO4 FLC 0.005623 0.44354 16.0377
277 4IVG ANP 0.0001812 0.43874 16.0377
278 1Y1A GSH 0.006848 0.47672 16.3934
279 1UGX GAL MGC 0.00008578 0.42289 16.5414
280 2GJ3 FAD 0.0003478 0.4078 17.5
281 1ONX ASP 0.000009221 0.45937 17.9245
282 3FSJ D7K 0.000635 0.43433 17.9245
283 2O2C G6Q 0.004332 0.40818 17.9245
284 1YBQ BDH 0.00001649 0.40251 17.9245
285 2ZJ5 ADP 0.01659 0.41026 18.3962
286 4TSK NDP 0.00004346 0.46432 18.8679
287 4CCO OGA 0.006404 0.4236 18.8679
288 1I2B USQ 0.008492 0.4164 19.3396
289 1I2B UPG 0.008492 0.4164 19.3396
290 1I2B NAD 0.008492 0.4164 19.3396
291 1JOT GAL A2G 0.00001407 0.52261 20.3008
292 1UW1 ADP 0.009189 0.42184 21.25
293 2E1A MSE 0.004716 0.42428 24
294 1FWE HAE 0.00003969 0.51159 28
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