-->
Receptor
PDB id Resolution Class Description Source Keywords
2BHZ 1.2 Å EC: 3.2.1.1 CRYSTAL STRUCTURE OF DEINOCOCCUS RADIODURANS MALTOOLIGOSYLTREHALOSE TREHALOHYDROLASE IN COMPLEX WITH M ALTOSE DEINOCOCCUS RADIODURANS HYDROLASE D. RADIODURANS TREHALOSE ALPHA-AMYLASE PROTEIN- CARBOHYDRATE COMPLEX DESICCATION RESISTANCE GLYCOSIDASE
Ref.: CRYSTAL STRUCTURE OF MALTOOLIGOSYLTREHALOSE TREHALOHYDROLASE FROM DEINOCOCCUS RADIODURANS IN COMPLEX WITH DISACCHARIDES J.MOL.BIOL. V. 347 949 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BME A:1610;
Invalid;
none;
submit data
78.133 C2 H6 O S C(CS)...
MAL A:1603;
A:1604;
A:1605;
A:1606;
A:1607;
A:1608;
A:1609;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
submit data
342.296 C12 H22 O11 C([C@...
MG A:1612;
A:1613;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
TRS A:1611;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BHZ 1.2 Å EC: 3.2.1.1 CRYSTAL STRUCTURE OF DEINOCOCCUS RADIODURANS MALTOOLIGOSYLTREHALOSE TREHALOHYDROLASE IN COMPLEX WITH M ALTOSE DEINOCOCCUS RADIODURANS HYDROLASE D. RADIODURANS TREHALOSE ALPHA-AMYLASE PROTEIN- CARBOHYDRATE COMPLEX DESICCATION RESISTANCE GLYCOSIDASE
Ref.: CRYSTAL STRUCTURE OF MALTOOLIGOSYLTREHALOSE TREHALOHYDROLASE FROM DEINOCOCCUS RADIODURANS IN COMPLEX WITH DISACCHARIDES J.MOL.BIOL. V. 347 949 2005
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 2BHZ - MAL C12 H22 O11 C([C@@H]1[....
2 2BXY - GLC C6 H12 O6 C([C@@H]1[....
3 2BY0 - GLC C6 H12 O6 C([C@@H]1[....
4 2BY2 - GLC C6 H12 O6 C([C@@H]1[....
5 2BXZ - GLC C6 H12 O6 C([C@@H]1[....
6 2BHY - GLC C6 H12 O6 C([C@@H]1[....
7 2BY1 - GLC C6 H12 O6 C([C@@H]1[....
8 2BY3 - GLC C6 H12 O6 C([C@@H]1[....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2BHZ - MAL C12 H22 O11 C([C@@H]1[....
2 2BXY - GLC C6 H12 O6 C([C@@H]1[....
3 2BY0 - GLC C6 H12 O6 C([C@@H]1[....
4 2BY2 - GLC C6 H12 O6 C([C@@H]1[....
5 2BXZ - GLC C6 H12 O6 C([C@@H]1[....
6 2BHY - GLC C6 H12 O6 C([C@@H]1[....
7 2BY1 - GLC C6 H12 O6 C([C@@H]1[....
8 2BY3 - GLC C6 H12 O6 C([C@@H]1[....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2BHZ - MAL C12 H22 O11 C([C@@H]1[....
2 2BXY - GLC C6 H12 O6 C([C@@H]1[....
3 2BY0 - GLC C6 H12 O6 C([C@@H]1[....
4 2BY2 - GLC C6 H12 O6 C([C@@H]1[....
5 2BXZ - GLC C6 H12 O6 C([C@@H]1[....
6 2BHY - GLC C6 H12 O6 C([C@@H]1[....
7 2BY1 - GLC C6 H12 O6 C([C@@H]1[....
8 2BY3 - GLC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAL; Similar ligands found: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GLA 1 1
2 GAL BGC 1 1
3 GLC GAL 1 1
4 BMA GAL 1 1
5 LBT 1 1
6 BGC GAL 1 1
7 CBI 1 1
8 MAL 1 1
9 CBK 1 1
10 BGC BMA 1 1
11 N9S 1 1
12 MAB 1 1
13 LAT 1 1
14 GLA GAL 1 1
15 B2G 1 1
16 BMA BMA BMA 0.909091 1
17 GLA GAL GLC 0.909091 1
18 GLC BGC BGC 0.909091 1
19 GLC BGC BGC BGC 0.909091 1
20 GLC GLC GLC GLC GLC 0.909091 1
21 CT3 0.909091 1
22 BGC GLC GLC GLC 0.909091 1
23 BGC BGC BGC BGC 0.909091 1
24 CTT 0.909091 1
25 CTR 0.909091 1
26 GLC GAL GAL 0.909091 1
27 MAN BMA BMA BMA BMA BMA 0.909091 1
28 BGC BGC BGC GLC 0.909091 1
29 CEY 0.909091 1
30 B4G 0.909091 1
31 BGC BGC BGC 0.909091 1
32 GLC GLC BGC 0.909091 1
33 CE5 0.909091 1
34 BGC BGC BGC BGC BGC BGC 0.909091 1
35 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
36 BMA BMA BMA BMA BMA BMA 0.909091 1
37 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
38 GLA GAL BGC 0.909091 1
39 MLR 0.909091 1
40 MAN BMA BMA 0.909091 1
41 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
42 BMA BMA BMA BMA BMA 0.909091 1
43 BGC BGC GLC 0.909091 1
44 MAN MAN BMA BMA BMA BMA 0.909091 1
45 BGC GLC GLC 0.909091 1
46 BGC BGC BGC BGC BGC 0.909091 1
47 MT7 0.909091 1
48 GLC BGC BGC BGC BGC 0.909091 1
49 CE6 0.909091 1
50 MTT 0.909091 1
51 CE8 0.909091 1
52 MAN BMA BMA BMA BMA 0.909091 1
53 GLC BGC GLC 0.909091 1
54 DXI 0.909091 1
55 GLC BGC BGC BGC BGC BGC 0.909091 1
56 CEX 0.909091 1
57 GAL GAL GAL 0.909091 1
58 BMA MAN BMA 0.909091 1
59 BGC GLC GLC GLC GLC 0.909091 1
60 GLA GAL GAL 0.816327 1
61 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
62 BMA BMA GLA BMA BMA 0.689655 1
63 XYT 0.685185 0.767442
64 LAT GLA 0.680851 1
65 GLC GLC GLC BGC 0.672414 1
66 U63 0.647059 0.891892
67 MMA MAN 0.64 0.942857
68 DR5 0.64 0.942857
69 GLA EGA 0.634615 0.942857
70 GAL FUC 0.615385 0.941176
71 2M4 0.612245 1
72 BGC GAL FUC 0.610169 0.970588
73 FUC GAL GLC 0.610169 0.970588
74 8B7 0.610169 0.970588
75 GLC GAL FUC 0.610169 0.970588
76 LAT FUC 0.610169 0.970588
77 BGC GLA GAL FUC 0.609375 0.970588
78 BQZ 0.608696 0.909091
79 BGC GAL NAG GAL 0.606061 0.733333
80 GAL NAG GAL GLC 0.606061 0.733333
81 BMA BMA BMA BMA 0.603448 0.941176
82 M3M 0.6 1
83 LB2 0.6 1
84 NGR 0.6 1
85 MAN GLC 0.6 1
86 MAL EDO 0.592593 0.942857
87 BGC BGC BGC XYS GAL 0.588235 0.942857
88 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
89 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
90 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
91 LAT NAG GAL 0.588235 0.733333
92 GLC GAL NAG GAL 0.588235 0.733333
93 NGA GAL BGC 0.587302 0.733333
94 TRE 0.581395 1
95 ABD 0.57971 0.75
96 NLC 0.578947 0.733333
97 NDG GAL 0.578947 0.733333
98 GAL NDG 0.578947 0.733333
99 5GO 0.578947 0.66
100 DEL 0.574074 0.970588
101 MVP 0.571429 0.733333
102 GAL NGA GLA BGC GAL 0.571429 0.733333
103 GAL BGC BGC XYS 0.569231 0.942857
104 SGA BGC 0.568965 0.66
105 BGC BGC 0.566038 0.914286
106 BMA BMA 0.566038 0.914286
107 GLC GLC XYP 0.557377 1
108 BGC BGC XYS BGC 0.552239 0.942857
109 NAG GAL BGC 0.552239 0.733333
110 GLA GAL BGC 5VQ 0.551724 0.891892
111 G2F BGC BGC BGC BGC BGC 0.55 0.868421
112 GLA MBG 0.54902 0.942857
113 GLC ACI G6D BGC 0.547945 0.733333
114 GLC G6D ACI GLC 0.547945 0.733333
115 GLC ACI GLD GLC 0.547945 0.733333
116 GLC G6D ADH GLC 0.547945 0.733333
117 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
118 BGC BGC BGC GLC BGC BGC 0.545455 1
119 BMA BMA MAN 0.535714 1
120 MAN MAN BMA 0.535714 1
121 NGA GLA GAL BGC 0.535211 0.733333
122 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
123 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
124 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
125 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
126 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
127 BMA MAN MAN MAN 0.525424 1
128 GLA GAL GLC NBU 0.52459 0.846154
129 FUC BGC GAL 0.52459 0.970588
130 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.733333
131 GLC ACI GLD GAL 0.519481 0.702128
132 GLC ACI G6D GLC 0.519481 0.702128
133 BGC BGC BGC FRU 0.516129 0.868421
134 DOM 0.509091 0.942857
135 G3I 0.507937 0.767442
136 LMU 0.507937 0.785714
137 DMU 0.507937 0.785714
138 UMQ 0.507937 0.785714
139 OXZ BGC BGC 0.507937 0.6875
140 G2I 0.507937 0.767442
141 LMT 0.507937 0.785714
142 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
143 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
144 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
145 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
146 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
147 FMO 0.5 0.868421
148 MAN BMA NAG 0.5 0.733333
149 SOR GLC GLC 0.5 0.970588
150 GLA GAL NAG 0.5 0.733333
151 8VZ 0.5 0.673469
152 ACR GLC GLC GLC 0.493827 0.702128
153 GLC GLC DAF BGC 0.493827 0.702128
154 GLC GLC ACI G6D GLC GLC 0.493827 0.702128
155 ARE 0.493827 0.733333
156 GLC GLC AGL HMC GLC 0.493827 0.702128
157 AAO 0.493827 0.733333
158 GLC GLC XYS 0.492308 0.970588
159 MAN BMA MAN 0.491803 1
160 CGC 0.491525 0.941176
161 5QP 0.491228 0.885714
162 GAL MBG 0.490909 0.942857
163 MDM 0.490909 0.942857
164 RZM 0.490909 0.688889
165 M13 0.490909 0.942857
166 GAL NAG MAN 0.485294 0.733333
167 SOR GLC GLC GLC 0.484848 0.970588
168 GLO GLC GLC GLC 0.484848 0.970588
169 6UZ 0.484848 0.846154
170 LAG 0.484848 0.6
171 GAL BGC NAG GAL 0.478873 0.733333
172 GTM BGC BGC 0.477612 0.868421
173 10M 0.477612 0.733333
174 MAN MAN MAN MAN 0.476923 1
175 MAN MAN BMA MAN 0.476923 1
176 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
177 GAL GAL SO4 0.47619 0.66
178 NAG BMA 0.47619 0.653061
179 GAL NGA 0.47541 0.733333
180 A2G GAL 0.47541 0.733333
181 GAL A2G 0.47541 0.733333
182 GLA BMA 0.472727 1
183 GLC BGC 0.472727 1
184 GAL GAL 0.472727 1
185 GLA GLC 0.472727 1
186 BGC GLA 0.472727 1
187 GAL GLC 0.472727 1
188 GLA BGC 0.472727 1
189 BMA GLA 0.472727 1
190 BMA MAN 0.472727 1
191 MAN MAN 0.472727 1
192 BGC GLC 0.472727 1
193 MLB 0.472727 1
194 GLC GLC 0.472727 1
195 MAN BMA 0.472727 1
196 LAK 0.472727 1
197 NPJ 0.470588 0.622642
198 FUC GAL NAG GAL BGC 0.469136 0.717391
199 GAL GLC NAG GAL FUC 0.469136 0.717391
200 GLC NAG GAL GAL FUC 0.469136 0.717391
201 MAN MAN MAN GLC 0.46875 1
202 ABL 0.466667 0.702128
203 FRU GAL 0.465517 0.842105
204 BMA FRU 0.465517 0.842105
205 DAF BGC 0.464789 0.733333
206 DAF GLC 0.464789 0.733333
207 TM6 0.463768 0.916667
208 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
209 LSE 0.462687 0.6875
210 FUC GLA GLA 0.460317 0.970588
211 GAL GAL FUC 0.460317 0.970588
212 FUC GAL GLA 0.460317 0.970588
213 GLA GLA FUC 0.460317 0.970588
214 GLA GAL FUC 0.460317 0.970588
215 IFM BMA 0.457627 0.711111
216 9MR 0.457627 0.744186
217 IFM BGC 0.457627 0.711111
218 BMA IFM 0.457627 0.711111
219 BGC OXZ 0.457627 0.666667
220 RCB 0.457143 0.622642
221 GLO GLC GLC 0.457143 0.942857
222 MAN MAN MAN 0.45614 1
223 GLC GLC GLC GLC BGC 0.45614 1
224 GLC GLC GLC GLC GLC BGC 0.45614 1
225 BMA MAN MAN 0.45614 1
226 GLC GLC GLC 0.45614 1
227 WOO 0.454545 0.848485
228 GIV 0.454545 0.848485
229 BGC 0.454545 0.848485
230 ALL 0.454545 0.848485
231 GAL 0.454545 0.848485
232 GLA 0.454545 0.848485
233 GLC 0.454545 0.848485
234 GXL 0.454545 0.848485
235 BMA 0.454545 0.848485
236 MAN 0.454545 0.848485
237 ACI GLD GLC GAL 0.453333 0.733333
238 DAF BGC GLC 0.453333 0.733333
239 DAF GLC GLC 0.453333 0.733333
240 MGL SGC BGC BGC 0.450704 0.868421
241 MGL SGC GLC GLC 0.450704 0.868421
242 CM5 0.450704 0.891892
243 MAN MAN MAN BMA MAN 0.450704 1
244 BGC BGC SGC MGL 0.450704 0.868421
245 MAN MNM 0.45 0.702128
246 GLC DMJ 0.45 0.695652
247 A2G GAL BGC FUC 0.45 0.717391
248 NOJ GLC 0.45 0.695652
249 NOY BGC 0.45 0.702128
250 BMA MAN MAN MAN MAN 0.449275 1
251 GCS GCS 0.448276 0.767442
252 PA1 GCS 0.448276 0.767442
253 M5S 0.447761 1
254 MAN BMA MAN MAN MAN 0.447761 1
255 TXT 0.447368 0.767442
256 GAC 0.447368 0.767442
257 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
258 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
259 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
260 NAG GAL GAL NAG GAL 0.445946 0.6875
261 NAG GAL GAL NAG 0.445946 0.6875
262 MA4 0.444444 0.891892
263 QV4 0.444444 0.733333
264 MAN DGO 0.440678 0.914286
265 3SA 0.44 0.733333
266 Z6J 0.439024 0.742857
267 GLC GLC GLC PO4 SGC GLC 0.439024 0.66
268 AHR 0.439024 0.742857
269 RIB 0.439024 0.742857
270 FUB 0.439024 0.742857
271 32O 0.439024 0.742857
272 T6P 0.438596 0.767442
273 MMA 0.4375 0.857143
274 MBG 0.4375 0.857143
275 GYP 0.4375 0.857143
276 AMG 0.4375 0.857143
277 MAN G63 0.435484 0.653061
278 GDQ GLC 0.435484 0.666667
279 4MU BGC BGC 0.434211 0.767442
280 ISX 0.433333 0.761905
281 MAN 7D1 0.431034 0.888889
282 ACR 0.43038 0.733333
283 QPS 0.43038 0.733333
284 GAL MGC 0.428571 0.702128
285 4MU BGC BGC BGC BGC 0.428571 0.767442
286 GAL NDG FUC 0.422535 0.717391
287 FUC NDG GAL 0.422535 0.717391
288 HMC AGL GLC 0.421053 0.717391
289 KHO 0.421053 0.888889
290 GCS GCS GCS 0.419355 0.767442
291 GCS GCS GCS GCS GCS 0.419355 0.767442
292 GCS GCS GCS GCS GCS GCS 0.419355 0.767442
293 GAL NAG GAL 0.418919 0.702128
294 NGT GAL 0.41791 0.66
295 GAL NGT 0.41791 0.66
296 P3M 0.41791 0.767442
297 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
298 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
299 TUR 0.416667 0.842105
300 BTU 0.416667 0.842105
301 GLC FRU 0.416667 0.842105
302 GLA MAN ABE 0.414286 0.916667
303 NAG NAG BMA 0.413333 0.634615
304 NAG NDG BMA 0.413333 0.634615
305 ACR GLC GLC GLC GLC 0.4125 0.702128
306 ACR GLC 0.4125 0.702128
307 AHR AHR AHR AHR AHR AHR 0.410714 0.857143
308 FUB AHR AHR 0.410714 0.857143
309 VAM 0.409836 0.868421
310 GLF B8D 0.409836 0.775
311 DAF GLC DAF GLC GLC 0.409639 0.702128
312 ACI GLD GLC ACI G6D BGC 0.409639 0.702128
313 AC1 GLC AC1 BGC 0.409639 0.702128
314 ACI G6D GLC ACI G6D BGC 0.409639 0.702128
315 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.702128
316 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.702128
317 MAN MMA MAN 0.409091 0.942857
318 FUB AHR 0.407407 0.857143
319 AHR AHR 0.407407 0.857143
320 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.653061
321 4U0 0.406593 0.66
322 BGC BGC SSG PIH 0.405063 0.767442
323 GLA MAN RAM ABE 0.405063 0.891892
324 G1P 0.403846 0.697674
325 GL1 0.403846 0.697674
326 XGP 0.403846 0.697674
327 M1P 0.403846 0.697674
328 GLC IFM 0.403226 0.727273
329 MAN IFM 0.403226 0.727273
330 MAN MAN MAN MAN MAN MAN MAN 0.402597 1
331 XZZ BGC BGC 0.402439 0.702128
332 ACG 0.402299 0.695652
333 FUC GAL 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BHZ; Ligand: MAL; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 2bhz.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3HQP OXL 1.80361
2 1REQ DCA 4.48505
Pocket No.: 2; Query (leader) PDB : 2BHZ; Ligand: MAL; Similar sites found with APoc: 202
This union binding pocket(no: 2) in the query (biounit: 2bhz.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4LZJ 22H 0.990099
2 3AYI HCI 1.16279
3 3AYI FAD 1.16279
4 4FWE FAD 1.16279
5 1V8B NAD 1.25261
6 6HOY TSN 1.3245
7 4RGQ NDP 1.3587
8 4RGQ 1GP 1.3587
9 2B4R NAD 1.44928
10 4M52 FAD 1.50215
11 2A8X FAD 1.50862
12 1D4D FAD 1.57343
13 5W7R 9Z7 1.6317
14 1JBW TMF 1.63551
15 4ONQ SFG 1.68067
16 1PMO PLR 1.71674
17 1Q0H FOM 1.72414
18 1Q0H NDP 1.72414
19 2YG3 FAD 1.766
20 1Q8Y ADP 1.87668
21 3E1T FAD 1.95312
22 1ZGA SAH 1.96078
23 5LU5 M7P 2.03046
24 3DRG ARG PRO PRO GLY PHE SER PRO PHE ALA 2.0339
25 5KOX RFP 2.10084
26 5KOX FAD 2.10084
27 3ZNR NU9 2.12766
28 4PHR UDP 2.16606
29 5DN9 NAD 2.1978
30 5YVR NDP 2.20049
31 2PS1 PRP 2.21239
32 2PS1 ORO 2.21239
33 5BUK FAD 2.22222
34 4OOE FOM 2.22772
35 4OOE NDP 2.22772
36 2MAS PIR 2.2293
37 5A3B APR 2.31023
38 1E8G FCR 2.32143
39 1H82 FAD 2.33051
40 1H82 GZZ 2.33051
41 1S7G NAD 2.37154
42 1S7G APR 2.37154
43 4PLT NAI 2.41692
44 4PLT OXM 2.41692
45 5G4L NDP 2.44755
46 4JSR 1NQ 2.45614
47 5THY SAH 2.46914
48 5THZ SAH 2.46914
49 5CZY SAM 2.48447
50 3NGL NAP 2.53623
51 1TL2 NDG 2.54237
52 4IX4 ADP 2.57143
53 5UIV ADP 2.64317
54 6H3O FAD 2.65781
55 2JEN GLC GLC BGC XYS BGC XYS 2.68199
56 3W9F I3P 2.69231
57 5U8U FAD 2.7027
58 5DEP UD1 2.71318
59 5T0B SIA GAL NAG 2.77778
60 1ZK7 FAD 2.78373
61 3K7M FAD 2.78422
62 1JQ3 AAT 2.82392
63 1DEK DGP 2.90456
64 3VYW SAM 2.92208
65 5ZCT ANP 2.99003
66 5XFV FMN 2.99401
67 3KB6 NAD 2.99401
68 1ADO 13P 3.0303
69 2JB2 PHE 3.06748
70 2JB2 FAD 3.06748
71 5YFT RI2 3.08642
72 2FNU PMP UD1 3.15615
73 2O4C NAD 3.15789
74 4HSU FAD 3.22581
75 3S5W FAD 3.23974
76 1C3V NDP 3.26531
77 1C3V PDC 3.26531
78 2EXX NAP 3.26797
79 3WQQ IB3 3.27869
80 3WQQ NDP 3.27869
81 2O07 MTA 3.28947
82 2O07 SPD 3.28947
83 1CER NAD 3.32326
84 1KEW NAD 3.3241
85 1JI0 ATP 3.33333
86 2FR6 CTN 3.42466
87 2FR6 URI 3.42466
88 5J60 FAD 3.4375
89 3OJO NAD 3.48028
90 3FRK TQP 3.48525
91 1GTE FAD 3.48837
92 4GV8 DUP 3.5503
93 1CF2 NAP 3.56083
94 2IMI GSH 3.61991
95 3CIF NAD 3.62117
96 3CIF G3H 3.62117
97 2CH5 NAG 3.65448
98 2CH5 NDG 3.65448
99 1YC5 NCA 3.65854
100 4BUZ OAD 3.65854
101 4BUZ OCZ 3.65854
102 4BUZ NAD 3.65854
103 4KP7 NAP 3.74707
104 4KP7 1UQ 3.74707
105 4YMU ATP 3.75
106 1XHC FAD 3.81471
107 6CI9 NAP 3.861
108 4JLS 3ZE 3.94737
109 2P69 PLP 3.98671
110 2YK7 CSF 3.98773
111 5T52 A2G 4.13223
112 5T52 NGA 4.13223
113 5Z2F PDC 4.15094
114 5Z2F NAP 4.15094
115 1NPD NAD 4.16667
116 2OD9 A1R NCA 4.22078
117 3A06 NDP 4.25532
118 3A06 FOM 4.25532
119 3S1S SAH 4.31894
120 1WY7 SAH 4.34783
121 1SZD APR 4.3771
122 1V59 FAD 4.39331
123 4REP FAD 4.44444
124 1KQ4 FAD 4.74138
125 2C3W GLC GLC GLC GLC 4.90196
126 1VCO GLN 4.90909
127 5DY5 5GR 4.93421
128 6FHO FAD 4.98339
129 4XGX ADP 5
130 2DC1 NAD 5.08475
131 5Y4R C2E 5.10204
132 2ZE7 DST 5.13834
133 2ZE7 AMP 5.13834
134 1LBF 137 5.26316
135 2BOI MFU 5.30973
136 2FR1 NDP 5.34979
137 2XOC ADE 5.36398
138 5BVA FAD 5.37897
139 3BGD SAH 5.38462
140 3BGD PM6 5.38462
141 3ZX4 2M8 5.40541
142 4R8L ASP 5.45455
143 1YY5 FAD 5.45809
144 5FBN 5WF 5.53506
145 2IXB A2G 5.63063
146 2IXB NAD 5.63063
147 1W4R TTP 5.64103
148 3KIF GDL 5.66038
149 2X77 GDP 5.82011
150 6AOV SIA GAL NAG GAL NAG 5.88235
151 1OXV ANP 5.94901
152 1LBZ FBP 5.95238
153 3WV8 ATP 5.9633
154 1ZEM NAD 5.98007
155 2VSU ACO 6.15942
156 2VSS ACO 6.15942
157 1JCM 137 6.17761
158 5EP2 AZU 6.25
159 1UW1 ADP 6.25
160 4WNB 4BN 6.41711
161 4CDN FO1 6.43154
162 3ZNN FAD 6.64452
163 3ZNN 4WL 6.64452
164 5WHU SIA 6.71141
165 5WHU SIA GAL GLC 6.71141
166 1J5P NAD 6.71937
167 3PVW QRX 6.75676
168 3KIH GDL 7.2165
169 3NUB UD0 7.24234
170 1OYF MHN 7.43802
171 5EJL C2E 8.06452
172 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 8.08081
173 3HVJ 705 8.1448
174 1VBJ NAP 8.18505
175 3MHA Z69 8.37438
176 3WCA FPS 8.49315
177 3QF7 ANP 8.49315
178 5LXT ACP 8.64745
179 4UXH T5A 8.69565
180 6EQS BV8 9.09091
181 3RIY NAD 9.15751
182 1G63 FMN 9.39227
183 1KK8 BEF ADP 10.0719
184 3CGD NAD 10.4167
185 4CRZ ACO 10.4895
186 5EXT ADP 10.7692
187 4POO SAM 11
188 1RV0 DAN 11.25
189 5ZAI COA 11.9691
190 5ZW3 SAH 12.4444
191 5C2N NAG 12.5
192 5ZZ6 NAD 12.9808
193 3OU2 SAH 13.3028
194 3RNM FAD 13.7931
195 5FFF NAP 14.0078
196 3C3N FMN 16.0256
197 1JA9 NDP 16.0584
198 2OQ2 A3P 17.2414
199 2F5Z FAD 21.875
200 2DYS TGL 21.9178
201 2DYR TGL 21.9178
202 5ZCO TGL 21.9178
Pocket No.: 3; Query (leader) PDB : 2BHZ; Ligand: MAL; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 2bhz.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 5OLZ T4E 1.84332
2 5YVT NAI 3.67232
Pocket No.: 4; Query (leader) PDB : 2BHZ; Ligand: MAL; Similar sites found with APoc: 6
This union binding pocket(no: 4) in the query (biounit: 2bhz.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1MJT ITU 2.01729
2 6EGU 43Y 3.38983
3 2WPB ZZI 9.21053
4 6FHQ DE5 12.069
5 4K6B GLU 14.2857
6 1M26 GAL A2G 14.2857
Pocket No.: 5; Query (leader) PDB : 2BHZ; Ligand: MAL; Similar sites found with APoc: 67
This union binding pocket(no: 5) in the query (biounit: 2bhz.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1JBW ACQ 1.63551
2 1TPY SAH 2.09059
3 1XF1 CIT 2.15947
4 5FAH 5VT 2.23214
5 2PHN GDP 2.3622
6 5C5H 4YB 2.42826
7 6BFG FMN 2.50627
8 1P3D ANP 2.52632
9 3VZ3 SSN 2.62582
10 1YOK P6L 2.65781
11 1KPG SAH 2.78746
12 6DVH FMN 2.79188
13 5AJU RP5 2.91971
14 4XF6 ADP 2.9304
15 4C12 ADP 2.99401
16 5EOU ATP 3.22581
17 5JFL NAD 3.24427
18 2NP9 YE1 3.40909
19 1A59 COA 3.43915
20 1SG4 CO8 3.46154
21 5K3W PLP 3.51438
22 5O7E 9NB 3.56234
23 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 3.58744
24 1AOE GW3 3.64583
25 1AOE NDP 3.64583
26 3AB4 THR 3.93258
27 2DTJ THR 3.93258
28 4LTN NAI 4.06091
29 1NHX FTB 4.15282
30 1NHX PEP 4.15282
31 4QIJ 1HA 4.19162
32 4GAH 0ET 4.30622
33 2VHJ ADP 4.53172
34 3HBN UDP 4.60993
35 5WYF ILP 4.7619
36 3QXQ CE5 4.78873
37 5ZBK AMP 4.92611
38 1XUJ BOZ 4.93274
39 4YWV SSN 4.94624
40 1RM6 PCD 4.96894
41 5ERR ADP 5.01193
42 3NRR D16 5.04854
43 5NBW 8SK 5.14019
44 2VBU CDP 5.14706
45 4GLW NMN 5.2459
46 1OFD FMN 5.31561
47 1OFD AKG 5.31561
48 6H5E ANP 5.57769
49 5ZBL AMP 5.91133
50 1YKF NAP 6.25
51 1I3U RR1 6.29921
52 3ZL8 ADP 6.40732
53 5TIV A3P 7.11462
54 3LOO B4P 7.12329
55 1P4C FMN 8.30565
56 3KMT SAH 8.40336
57 4UIN QI9 8.41121
58 5F7Y GLC GAL NAG GAL FUC A2G 9.16667
59 5F7N NAG GAL FUC FUC A2G 9.16667
60 1PTR PRB 10
61 4C5N ACP 12.6812
62 4C5N PXL 12.6812
63 2EC9 24X 13.3333
64 5L2Z 70C 13.7931
65 4PVV HO4 13.8889
66 1TMT DPN PRO ARG 16.6667
67 3VXE DPN PRO ARG 17.6471
Pocket No.: 6; Query (leader) PDB : 2BHZ; Ligand: MAL; Similar sites found with APoc: 76
This union binding pocket(no: 6) in the query (biounit: 2bhz.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 ARG None
2 5MT9 SRO None
3 4Y9J FAD 1.18044
4 4WXG 2BO 1.63551
5 2HQM FAD 1.87891
6 3GDN HBX 1.91939
7 3GDN FAD 1.91939
8 4XDY NAI 2.07101
9 4BLW AMP 2.07612
10 3L4S NAD 2.08333
11 3L4S 3PG 2.08333
12 4E5N NAD 2.12121
13 3RHJ NAP 2.12766
14 2FK8 SAM 2.15947
15 5L4S NAP 2.20126
16 5L4S 6KX 2.20126
17 2IXE ATP 2.21402
18 2WLG SOP 2.32558
19 5JJR SAH 2.32558
20 3ULK NDP 2.44399
21 5ULP KB1 2.61194
22 2IHU TP9 2.6178
23 1Q19 APC 2.65781
24 3Q9L ATP 2.69231
25 5AE2 FAD 2.73556
26 1KPH SAH 2.78746
27 5O98 NAP 2.83912
28 1RQ2 CIT 2.87958
29 4DP3 NDP 2.99003
30 4DP3 MMV 2.99003
31 4AUT FAD 2.99145
32 3ZQ6 ADP ALF 3.08642
33 1HPG BOC ALA ALA PRO GLU 3.20856
34 5OC1 FAD 3.36283
35 1JG3 ADN 3.40426
36 3EVG SAH 3.63636
37 1GPE FAD 3.74787
38 3SUD SUE 3.94089
39 1VI2 NAD 4
40 1DL5 SAH 4.10095
41 1O8B ABF 4.10959
42 2Q4W FAD 4.19847
43 3KEE 30B 4.21053
44 4DQ2 BTX 4.26829
45 4X28 FDA 4.28954
46 2HK9 NAP 4.72727
47 2HK9 ATR 4.72727
48 3SSO SAH 4.77327
49 5K5Z ANP 4.77707
50 1NV8 MEQ 4.92958
51 1NV8 SAM 4.92958
52 5N6N SUC 5
53 4C3Y ANB 5.09434
54 4C3Y FAD 5.09434
55 2OEM 1AE 5.32688
56 2RAB FAD 5.39957
57 1N62 MCN 5.42169
58 1J3I NDP 5.4878
59 1J3I WRA 5.4878
60 4I9A NCN 5.55556
61 5J1J ANP 5.61404
62 3BW2 FMN 5.69106
63 4O1M NAD 5.71429
64 2WOJ ADP ALF 6.21469
65 5L95 AMP 6.31229
66 2CJF RP4 6.36943
67 1CMC SAM 6.73077
68 4XTR ATP 7.3913
69 4XVU ATP 7.3913
70 3BY9 SIN 7.69231
71 1UYY BGC BGC 8.39695
72 1GZF NAD 10.9005
73 1N5D NDP 12.1528
74 5ODQ FAD 12.3711
75 1SW0 PGA 15.7258
76 3ZS9 ADP ALF 15.7895
Pocket No.: 7; Query (leader) PDB : 2BHZ; Ligand: MAL; Similar sites found with APoc: 41
This union binding pocket(no: 7) in the query (biounit: 2bhz.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 3B8I OXL 1.74216
2 5U5G 7VD 2.0339
3 2GWH PCI 2.34899
4 5H41 IFM 2.49169
5 1W96 S1A 2.52708
6 5Y02 HBX 2.80374
7 3BJC WAN 3.15615
8 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 3.47826
9 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 3.76569
10 1R6N 434 3.79147
11 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 3.92157
12 5W7B MYR 4.25532
13 5FS0 5JC 4.2654
14 5MWE TCE 4.28571
15 4WGF HX2 4.39024
16 1OW4 2AN 4.65116
17 4UCC ZKW 4.72103
18 2VQ5 HBA 4.97512
19 3JRX S1A 5.28109
20 5EEH P9P 5.31915
21 3E70 GDP 5.48173
22 5V4R MGT 5.55556
23 5HCN DAO 6.13027
24 5MB4 NAG 6.48379
25 2HYR BGC GLC 6.55738
26 2HYQ MAN MAN 6.55738
27 2GUD MAN 6.55738
28 2PX6 DH9 6.96203
29 4V2O CLQ 7.31707
30 5LX9 OLB 7.39437
31 3JUC PCA 7.84314
32 4F4S EFO 7.89474
33 3KP6 SAL 7.94702
34 5C1M OLC 8
35 5C9J DAO 8.08081
36 1T0S BML 8.18182
37 4ZGM 32M 9.01639
38 2WQ4 SFU 9.61539
39 2OZ5 7XY 9.7973
40 1DTD GLU 13.1148
41 3AI3 SOE 15.9696
APoc FAQ
Feedback