-->
Receptor
PDB id Resolution Class Description Source Keywords
5FQH 2.1 Å EC: 7.-.-.- THE DETAILS OF GLYCOLIPID GLYCAN HYDROLYSIS BY THE STRUCTURA OF A FAMILY 123 GLYCOSIDE HYDROLASE FROM CLOSTRIDIUM PERFRI CLOSTRIDIUM PERFRINGENS BETA-N-ACETYLGALACTOSAMINIDASE GLYCOSIDE HYDROLASE GH123 GLYCOSPHINGOLIPID GANGLIOSIDE GLOBOSIDE SUBSTRATE- ASSISCATALYSIS HYDROLASE
Ref.: THE DETAILS OF GLYCOLIPID GLYCAN HYDROLYSIS BY THE STRUCTURAL ANALYSIS OF A FAMILY 123 GLYCOSIDE HYDRO FROM CLOSTRIDIUM PERFRINGENS J.MOL.BIOL. V. 428 3253 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:1589;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
NGA GAL BGC A:1586;
Valid;
none;
submit data
545.491 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FR0 1.75 Å EC: 7.-.-.- THE DETAILS OF GLYCOLIPID GLYCAN HYDROLYSIS BY THE STRUCTURAL ANALYSIS OF A FAMILY 123 GLYCOSIDE HYDROLASE F ROM CLOSTRIDIUM PERFRINGENS CLOSTRIDIUM PERFRINGENS HYDROLASE GLYCOSIDE HYDROLASE GH123 GLYCOSPHINGOLIPID GANGLIOSIDE GLOBOSIDE SUBSTRATE-ASSISTED CATALYSIS.
Ref.: THE DETAILS OF GLYCOLIPID GLYCAN HYDROLYSIS BY THE STRUCTURAL ANALYSIS OF A FAMILY 123 GLYCOSIDE HYDRO FROM CLOSTRIDIUM PERFRINGENS J.MOL.BIOL. V. 428 3253 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 5FQF - NGA C8 H15 N O6 CC(=O)N[C@....
2 5FR0 - SIZ C8 H13 F2 N O6 C([C@@H]1[....
3 5FQG - NGA GAL n/a n/a
4 5FQH - NGA GAL BGC n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5FQF - NGA C8 H15 N O6 CC(=O)N[C@....
2 5FR0 - SIZ C8 H13 F2 N O6 C([C@@H]1[....
3 5FQG - NGA GAL n/a n/a
4 5FQH - NGA GAL BGC n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 5L7U - NGA C8 H15 N O6 CC(=O)N[C@....
2 5L7V Kd = 9.6 nM GNL C8 H13 N O4 S CC1=N[C@@H....
3 5FQF - NGA C8 H15 N O6 CC(=O)N[C@....
4 5FR0 - SIZ C8 H13 F2 N O6 C([C@@H]1[....
5 5FQG - NGA GAL n/a n/a
6 5FQH - NGA GAL BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NGA GAL BGC; Similar ligands found: 322
No: Ligand ECFP6 Tc MDL keys Tc
1 NGA GAL BGC 1 1
2 NGA GLA GAL BGC 0.842857 1
3 NAG GAL BGC 0.771429 1
4 A2G MBG 0.701493 0.957447
5 MBG A2G 0.701493 0.957447
6 GAL NGA GLA BGC GAL 0.666667 1
7 GLC GAL NAG GAL 0.662338 1
8 LAT NAG GAL 0.662338 1
9 CBS CBS 0.661765 0.9375
10 CBS 0.661765 0.9375
11 NDG NAG 0.661765 0.9375
12 NAG GDL 0.661765 0.9375
13 A2G GAL BGC FUC 0.658537 0.978261
14 CEY 0.650794 0.733333
15 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.650794 0.733333
16 B4G 0.650794 0.733333
17 BGC GLC GLC GLC GLC 0.650794 0.733333
18 MLR 0.650794 0.733333
19 GLC GLC BGC 0.650794 0.733333
20 GLC BGC GLC 0.650794 0.733333
21 GAL GAL GAL 0.650794 0.733333
22 CE5 0.650794 0.733333
23 MAN BMA BMA BMA BMA 0.650794 0.733333
24 MAN BMA BMA 0.650794 0.733333
25 GLC BGC BGC BGC BGC 0.650794 0.733333
26 MAN BMA BMA BMA BMA BMA 0.650794 0.733333
27 BGC BGC BGC GLC 0.650794 0.733333
28 BGC BGC GLC 0.650794 0.733333
29 DXI 0.650794 0.733333
30 BGC BGC BGC BGC 0.650794 0.733333
31 BMA BMA BMA BMA BMA 0.650794 0.733333
32 BGC GLC GLC GLC 0.650794 0.733333
33 BMA BMA BMA BMA BMA BMA 0.650794 0.733333
34 GLC GAL GAL 0.650794 0.733333
35 CTT 0.650794 0.733333
36 GLC GLC GLC GLC GLC 0.650794 0.733333
37 GLC BGC BGC 0.650794 0.733333
38 CE8 0.650794 0.733333
39 GLA GAL GLC 0.650794 0.733333
40 CT3 0.650794 0.733333
41 BGC BGC BGC 0.650794 0.733333
42 CEX 0.650794 0.733333
43 MT7 0.650794 0.733333
44 CTR 0.650794 0.733333
45 CE6 0.650794 0.733333
46 BMA BMA BMA 0.650794 0.733333
47 BGC GLC GLC GLC GLC GLC GLC 0.650794 0.733333
48 BGC BGC BGC BGC BGC BGC 0.650794 0.733333
49 BGC BGC BGC BGC BGC 0.650794 0.733333
50 GLC BGC BGC BGC BGC BGC 0.650794 0.733333
51 GLA GAL BGC 0.650794 0.733333
52 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.650794 0.733333
53 BGC GLC GLC 0.650794 0.733333
54 GLC BGC BGC BGC 0.650794 0.733333
55 MTT 0.650794 0.733333
56 BMA MAN BMA 0.650794 0.733333
57 MAN MAN BMA BMA BMA BMA 0.650794 0.733333
58 NAG NAG NDG 0.647887 0.918367
59 NAG NAG NAG NAG NAG 0.647887 0.918367
60 NDG NAG NAG NDG 0.647887 0.918367
61 NDG NAG NAG 0.647887 0.918367
62 CTO 0.647887 0.918367
63 NDG NAG NAG NAG 0.647887 0.918367
64 NAG NAG NAG NAG NAG NAG 0.647887 0.918367
65 NAG NAG NAG NAG NDG 0.647887 0.918367
66 NAG NAG NAG NDG 0.647887 0.918367
67 NAG NAG NDG NAG 0.647887 0.918367
68 NAG NAG NAG NAG NAG NAG NAG NAG 0.647887 0.918367
69 NAG GAL 0.623188 1
70 GAL NAG 0.623188 1
71 GAL NAG GAL GLC 0.615385 1
72 BGC GAL NAG GAL 0.615385 1
73 BMA BMA BMA BMA 0.591549 0.733333
74 NAG GAL NAG 0.589744 0.9375
75 N9S 0.587302 0.733333
76 GLA GLA 0.587302 0.733333
77 CBK 0.587302 0.733333
78 GLA GAL 0.587302 0.733333
79 MAB 0.587302 0.733333
80 GLC GAL 0.587302 0.733333
81 BMA GAL 0.587302 0.733333
82 LBT 0.587302 0.733333
83 GAL BGC 0.587302 0.733333
84 CBI 0.587302 0.733333
85 LAT 0.587302 0.733333
86 BGC BMA 0.587302 0.733333
87 B2G 0.587302 0.733333
88 BGC GAL 0.587302 0.733333
89 MAL 0.587302 0.733333
90 A2G GAL NAG FUC GAL GLC 0.585106 0.918367
91 GLC GAL NAG GAL FUC A2G 0.585106 0.918367
92 GAL NAG MAN 0.571429 1
93 NAG MAN BMA 0.571429 1
94 NAG A2G 0.569444 0.9375
95 BGC BGC BGC BGC BGC BGC BGC BGC 0.569444 0.733333
96 NAG NGA 0.569444 0.9375
97 GAL NGA A2G 0.565789 0.9375
98 NAG MAN MAN 0.5625 1
99 NAG NDG 0.56 0.846154
100 NAG NAG 0.56 0.846154
101 NAG NAG NAG 0.55 0.849057
102 NAG NAG NAG NAG 0.55 0.849057
103 GAL NDG 0.549296 1
104 NDG GAL 0.549296 1
105 NLC 0.549296 1
106 NAG GAL GAL NAG GAL 0.548781 0.9375
107 NAG MAN BMA MAN NAG GAL 0.542553 0.9375
108 FUC BGC GAL NAG 0.54023 0.978261
109 GLC GLC GLC BGC 0.539474 0.733333
110 A2G GAL FUC 0.5375 0.978261
111 NGA GAL FUC 0.5375 0.978261
112 A2G GLA FUC 0.5375 0.978261
113 FUC GAL A2G 0.5375 0.978261
114 FUC GLA A2G 0.5375 0.978261
115 ABD 0.535714 0.977778
116 BGC FUC GAL FUC A2G 0.534091 0.957447
117 GLC FUC GAL FUC A2G 0.534091 0.957447
118 NGA GAL 0.533333 0.93617
119 BMA BMA GLA BMA BMA 0.532468 0.733333
120 NAG GAL GAL NAG 0.53012 0.9375
121 GAL NAG GAL NAG GAL NAG 0.53012 0.918367
122 DLD 0.53012 0.775862
123 GAL GLC NAG GAL FUC 0.527473 0.978261
124 FUC GAL NAG GAL BGC 0.527473 0.978261
125 GLC NAG GAL GAL FUC 0.527473 0.978261
126 NAG MBG 0.527027 0.957447
127 GAL BGC NAG GAL 0.52439 1
128 SIA GAL BGC NGA 0.52381 0.865385
129 GAL BGC SIA NGA 0.52381 0.865385
130 BGC GAL SIA NGA 0.52381 0.865385
131 BMA Z4Y NAG 0.523256 0.978261
132 XYT 0.520548 0.6
133 SN5 SN5 0.52 0.803922
134 NAG NDG BMA 0.518072 0.865385
135 NAG MUB 0.518072 0.9
136 NAG AMU 0.518072 0.9
137 NAG NAG BMA 0.518072 0.865385
138 GLA GAL GAL 0.513889 0.733333
139 NAG MAN 0.513158 0.957447
140 FUC GAL NAG A2G 0.511111 0.918367
141 A2G GAL NAG FUC 0.511111 0.918367
142 NGT NAG 0.506024 0.775862
143 GAL NAG GAL 0.506024 0.957447
144 NOJ NAG NAG NAG 0.505882 0.803571
145 Z4S NAG NAG 0.505882 0.849057
146 NOJ NAG NAG 0.505882 0.818182
147 NAG NAG BMA MAN MAN NAG GAL NAG 0.504951 0.918367
148 NAG BDP NAG BDP NAG BDP NAG 0.5 0.9
149 GLA GAL NAG FUC GAL GLC 0.5 0.978261
150 NAG BMA NAG MAN MAN NAG NAG 0.5 0.918367
151 LAT GLA 0.5 0.733333
152 NAG NAG BMA MAN NAG 0.5 0.849057
153 NAG MAN MAN MAN NAG 0.5 0.9375
154 NAG MAN BMA NDG MAN NAG GAL 0.49505 0.918367
155 MAN MAN NAG 0.493976 0.957447
156 LAT FUC 0.493506 0.755556
157 8B7 0.493506 0.755556
158 BGC GAL FUC 0.493506 0.755556
159 GLC GAL FUC 0.493506 0.755556
160 FUC GAL GLC 0.493506 0.755556
161 2F8 0.492537 0.893617
162 MAG 0.492537 0.893617
163 BGC GAL NAG GAL FUC FUC 0.489583 0.957447
164 GLC GAL NAG GAL FUC FUC 0.489583 0.957447
165 FUC BGC GAL NAG GAL 0.489362 0.978261
166 NAG AMU NAG AMV 0.488889 0.882353
167 6Y2 0.488636 0.703125
168 NAG NAG NGT 0.488636 0.762712
169 TCG 0.488095 0.775862
170 NAG MAN MMA 0.487805 0.957447
171 GLA GAL NAG 0.4875 1
172 MAN BMA NAG 0.4875 1
173 8VZ 0.486486 0.918367
174 ARE 0.484211 0.836735
175 AAO 0.484211 0.836735
176 3QL 0.481481 0.865385
177 GUM 0.478723 0.803571
178 TXT 0.477273 0.87234
179 GAC 0.477273 0.87234
180 NAG NM9 0.47619 0.882353
181 BGC BGC XYS BGC 0.47619 0.702128
182 M5G 0.475728 0.9375
183 NAG NAG BMA MAN MAN 0.473684 0.9375
184 NAA NAA AMI 0.473118 0.692308
185 AO3 0.473118 0.692308
186 GAL NAG GAL BGC 0.47191 0.957447
187 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.471264 0.702128
188 BGC BGC BGC XYS BGC BGC 0.471264 0.702128
189 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.471264 0.702128
190 UMG 0.46875 0.803571
191 FUC GAL NAG A2G FUC 0.468085 0.918367
192 NAG GAL FUC FUC A2G 0.468085 0.918367
193 NAG NAG BMA MAN 0.467391 0.865385
194 GAL NGA 0.466667 1
195 GAL A2G 0.466667 1
196 A2G GAL 0.466667 1
197 NAG A2G GAL 0.465116 0.9375
198 AH0 NAG 0.465116 0.833333
199 NG1 0.464789 0.75
200 GN1 0.464789 0.75
201 SIA GAL SIA BGC NGA 0.462185 0.849057
202 SIA GAL SIA GLC NGA 0.462185 0.849057
203 QPS 0.461538 0.836735
204 ACR 0.461538 0.836735
205 GLA EGA 0.458333 0.73913
206 MMA MAN 0.457143 0.73913
207 DR5 0.457143 0.73913
208 NDG BDP BDP NPO NDG 0.456311 0.703125
209 GLC GLC XYP 0.455696 0.733333
210 NAG FUC 0.454545 0.934783
211 FUC C4W NAG BMA MAN NAG 0.453704 0.865385
212 3YW 0.453333 0.913043
213 G6S NAG 0.452381 0.725806
214 FUL GAL NAG 0.452381 0.978261
215 GAL NAG FUC 0.452381 0.978261
216 NDG GAL FUC 0.452381 0.978261
217 FUC GAL NAG 0.452381 0.978261
218 NAG GAL FUC 0.452381 0.978261
219 FUC GAL NDG 0.452381 0.978261
220 DR2 0.452381 0.978261
221 ACG 0.44898 0.8
222 NAG BMA 0.448718 0.897959
223 GLA GAL BGC 5VQ 0.447368 0.708333
224 BGC GLA GAL FUC 0.447059 0.755556
225 NAG MAN MAN MAN NAG GAL NAG GAL 0.445545 0.918367
226 MAN BMA NAG NAG MAN NAG GAL GAL 0.445545 0.918367
227 FUC C4W NAG BMA 0.443299 0.865385
228 BGA 0.442105 0.818182
229 GLC GLC G6D ACI GLC GLC GLC 0.442105 0.836735
230 QV4 0.442105 0.836735
231 NAG AH0 0.43956 0.833333
232 NAG NAG BMA MAN MAN NAG NAG 0.439252 0.849057
233 GLC GLC DAF BGC 0.438776 0.803922
234 GLC GLC AGL HMC GLC 0.438776 0.803922
235 ACR GLC GLC GLC 0.438776 0.803922
236 GLC GLC ACI G6D GLC GLC 0.438776 0.803922
237 BGC BGC BGC XYS GAL 0.438202 0.702128
238 MA8 0.4375 0.843137
239 SIA GAL NGA 0.436893 0.865385
240 4U0 0.436893 0.9
241 GYU 0.435897 0.767857
242 ACI GLD GLC GAL 0.433333 0.836735
243 DAF BGC GLC 0.433333 0.836735
244 DAF GLC GLC 0.433333 0.836735
245 GLA GAL GLC NBU 0.43038 0.68
246 G2F BGC BGC BGC BGC BGC 0.43038 0.66
247 NAG GDL PHJ 0.43 0.737705
248 7SA 0.43 0.803922
249 GAL NAG GAL FUC 0.428571 0.978261
250 GLA NAG GAL FUC 0.428571 0.978261
251 GAL MGC 0.428571 0.957447
252 SIA GAL NAG GAL BGC 0.42735 0.849057
253 BGC GAL NAG SIA GAL 0.42735 0.849057
254 SIA GAL NAG GAL GLC 0.42735 0.849057
255 GLC BGC BGC XYS BGC XYS XYS 0.426966 0.702128
256 BGC BGC BGC XYS BGC XYS XYS 0.426966 0.702128
257 BGC BGC XYS BGC XYS BGC XYS 0.426966 0.702128
258 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.425926 0.9375
259 MMA MAN NAG MAN NAG NAG 0.425532 0.9
260 GAL FUC 0.424658 0.733333
261 NAG NAG BMA BMA 0.423913 0.833333
262 LEC NGA 0.423913 0.703125
263 FUC NDG GAL 0.423529 0.978261
264 GAL NDG FUC 0.423529 0.978261
265 JXD 0.423077 0.661765
266 GAL NGA SIA GAL BGC 0.422414 0.865385
267 SIA GAL BGC NGA GAL 0.422414 0.865385
268 GAL NGA GAL BGC SIA 0.422414 0.865385
269 BGC GAL SIA NGA GAL 0.422414 0.865385
270 SLT 0.421569 0.918367
271 3PV 0.421053 0.9
272 G2I 0.419753 0.76
273 G3I 0.419753 0.76
274 NAG GCU NAG GCD 0.419048 0.833333
275 DEL 0.418919 0.717391
276 FUC C4W NAG BMA MAN MAN NAG 0.418803 0.865385
277 WZ5 0.418367 0.957447
278 NAG 0.41791 0.888889
279 NDG 0.41791 0.888889
280 HSQ 0.41791 0.888889
281 A2G 0.41791 0.888889
282 BM3 0.41791 0.888889
283 NGA 0.41791 0.888889
284 TNR 0.417722 0.86
285 FUC C4W NAG BMA MAN MAN NAG NAG 0.413793 0.865385
286 GLA GLC SIA 0.413462 0.9
287 SIA GAL BGC 0.413462 0.9
288 SIA GAL GLC 0.413462 0.9
289 BGC SIA GAL 0.413462 0.9
290 BGC GAL SIA 0.413462 0.9
291 GAL BGC SIA 0.413462 0.9
292 MAL EDO 0.413333 0.702128
293 FUC BGC GAL 0.4125 0.755556
294 FHY 0.410526 0.849057
295 FUC GAL NAG GAL FUC 0.410526 0.957447
296 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.41 0.754717
297 GLC GLC XYS 0.409639 0.755556
298 NAG AMU ALA DGL 0.409524 0.833333
299 BGC BGC BGC FRU 0.407407 0.66
300 3SA 0.406593 0.836735
301 BGC BGC BGC XYS BGC XYS GAL 0.40625 0.702128
302 GAL BGC BGC BGC XYS BGC XYS 0.40625 0.702128
303 FUC C4W NAG BMA MAN 0.40566 0.865385
304 NAG MU2 0.40566 0.818182
305 U63 0.405405 0.673469
306 GAL NDG FUC FUC 0.404494 0.957447
307 FUC GAL NAG FUC 0.404494 0.957447
308 BDZ 0.404494 0.957447
309 GAL NAG FUC FUC 0.404494 0.957447
310 BCW 0.404494 0.957447
311 FUC GAL NDG FUC 0.404494 0.957447
312 SN5 NGT 0.404494 0.694915
313 FUC NDG GAL FUC 0.404494 0.957447
314 FUC NAG GAL FUC 0.404494 0.957447
315 OXZ BGC BGC 0.402439 0.690909
316 UNU GAL NAG 0.402174 0.918367
317 ACR GLC 0.4 0.803922
318 GLC ACI G6D BGC 0.4 0.836735
319 GLC G6D ACI GLC 0.4 0.836735
320 GLC ACI GLD GLC 0.4 0.836735
321 ACR GLC GLC GLC GLC 0.4 0.803922
322 GLC G6D ADH GLC 0.4 0.836735
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FR0; Ligand: SIZ; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 5fr0.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1YKD CMP 2.26131
2 5A0U CHT 2.95082
3 2PWG CTS 3.77698
4 2C91 TLA 4.43787
5 5AYI BGC 6.34573
6 1H2B OCA 6.68524
7 4J25 OGA 10.0437
8 1NGP NPA 11.6279
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