Receptor
PDB id Resolution Class Description Source Keywords
1DTU 2.4 Å EC: 2.4.1.19 BACILLUS CIRCULANS STRAIN 251 CYCLODEXTRIN GLYCOSYLTRANSFERASE: A MUTANT Y89D/S146P COMPLEXED TO AN H EXASACCHARIDE INHIBITOR BACILLUS CIRCULANS ALPHA-AMYLASE ACARBOSE INHIBITOR COMPLEX FAMILY 13 GLYCOSYL HYDROLASE MUTANT PRODUCT SPECIFICITY CYCLODEXTRIN TRANSFERASE
Ref.: RATIONAL DESIGN OF CYCLODEXTRIN GLYCOSYLTRANSFERASE FROM BACILLUS CIRCULANS STRAIN 251 TO INCREASE ALPHA-CYCLODEXTRIN PRODUCTION. J.MOL.BIOL. V. 296 1027 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC GLC GLC GLC GLC A:698;
Valid;
none;
submit data
828.72 n/a O(C1O...
CA A:687;
A:688;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GLC GLC A:689;
Valid;
none;
submit data
358.296 n/a O1C(O...
GLC GLC GLC A:705;
Valid;
none;
submit data
504.438 n/a O1C(O...
GLC GLC GLC G6D ADH GLC A:694;
Valid;
none;
submit data
972.914 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CXG 2.5 Å EC: 2.4.1.19 CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED TO THE INHIBITOR ACARBOSE BACILLUS CIRCULANS GLYCOSYLTRANSFERASE
Ref.: X-RAY STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED WITH ACARBOSE. IMPLICATIONS FOR THE CATALYTIC MECHANISM OF GLYCOSIDASES. BIOCHEMISTRY V. 34 2234 1995
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1CXH - GLC GLC GLC GLC n/a n/a
2 1CGV - MAL C12 H22 O11 C([C@@H]1[....
3 1EO5 - GLC GLC GLC n/a n/a
4 1DTU - GLC GLC n/a n/a
5 1OT1 - BGC GLC GLC GLC n/a n/a
6 1KCL - GLC C6 H12 O6 C([C@@H]1[....
7 1CXI - MAL C12 H22 O11 C([C@@H]1[....
8 1D3C - GLC GLC n/a n/a
9 1CGY - MAL C12 H22 O11 C([C@@H]1[....
10 1PJ9 - GLC C6 H12 O6 C([C@@H]1[....
11 1EO7 - GLC GLC GLC n/a n/a
12 1CXK - GLC GLC n/a n/a
13 2CXG - GLC G6D ACI GLC n/a n/a
14 1CXE - GLC GLC GLC GLC n/a n/a
15 1KCK - GLC G6D ADH GLC n/a n/a
16 1OT2 - BGC GLC GLC GLC n/a n/a
17 1PEZ - BGC GLC n/a n/a
18 1CDG - MAL C12 H22 O11 C([C@@H]1[....
70% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1I75 - NOJ C6 H13 N O4 C1[C@@H]([....
2 1V3M - GAL C6 H12 O6 C([C@@H]1[....
3 1V3L - GLC ACI GLD GAL n/a n/a
4 1UKT ic50 > 5600 uM ACI GLD GLC GAL n/a n/a
5 1UKQ ic50 = 0.33 uM GLC ACI G6D BGC n/a n/a
6 1DED - QPS C25 H43 N O18 C[C@@H]1[C....
7 1UKS ic50 = 3300 uM GLC ACI GLD GAL n/a n/a
8 1CXH - GLC GLC GLC GLC n/a n/a
9 1CGV - MAL C12 H22 O11 C([C@@H]1[....
10 1EO5 - GLC GLC GLC n/a n/a
11 1DTU - GLC GLC n/a n/a
12 1OT1 - BGC GLC GLC GLC n/a n/a
13 1KCL - GLC C6 H12 O6 C([C@@H]1[....
14 1CXI - MAL C12 H22 O11 C([C@@H]1[....
15 1D3C - GLC GLC n/a n/a
16 1CGY - MAL C12 H22 O11 C([C@@H]1[....
17 1PJ9 - GLC C6 H12 O6 C([C@@H]1[....
18 1EO7 - GLC GLC GLC n/a n/a
19 1CXK - GLC GLC n/a n/a
20 2CXG - GLC G6D ACI GLC n/a n/a
21 1CXE - GLC GLC GLC GLC n/a n/a
22 1KCK - GLC G6D ADH GLC n/a n/a
23 1OT2 - BGC GLC GLC GLC n/a n/a
24 1PEZ - BGC GLC n/a n/a
25 1CDG - MAL C12 H22 O11 C([C@@H]1[....
26 3BMW - GLC GLC G6D ACI GLC GLC GLC n/a n/a
27 5CGT - GLC C6 H12 O6 C([C@@H]1[....
28 9CGT - TM5 C30 H52 O23 S3 C([C@@H]1[....
29 8CGT - TM6 C36 H62 O28 S3 C([C@@H]1[....
30 1CGU - GLC GLC n/a n/a
31 3CGT - BCD C42 H70 O35 C([C@@H]1[....
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1I75 - NOJ C6 H13 N O4 C1[C@@H]([....
2 1V3M - GAL C6 H12 O6 C([C@@H]1[....
3 1V3L - GLC ACI GLD GAL n/a n/a
4 1UKT ic50 > 5600 uM ACI GLD GLC GAL n/a n/a
5 1UKQ ic50 = 0.33 uM GLC ACI G6D BGC n/a n/a
6 1DED - QPS C25 H43 N O18 C[C@@H]1[C....
7 1UKS ic50 = 3300 uM GLC ACI GLD GAL n/a n/a
8 1CXH - GLC GLC GLC GLC n/a n/a
9 1CGV - MAL C12 H22 O11 C([C@@H]1[....
10 1EO5 - GLC GLC GLC n/a n/a
11 1DTU - GLC GLC n/a n/a
12 1OT1 - BGC GLC GLC GLC n/a n/a
13 1KCL - GLC C6 H12 O6 C([C@@H]1[....
14 1CXI - MAL C12 H22 O11 C([C@@H]1[....
15 1D3C - GLC GLC n/a n/a
16 1CGY - MAL C12 H22 O11 C([C@@H]1[....
17 1PJ9 - GLC C6 H12 O6 C([C@@H]1[....
18 1EO7 - GLC GLC GLC n/a n/a
19 1CXK - GLC GLC n/a n/a
20 2CXG - GLC G6D ACI GLC n/a n/a
21 1CXE - GLC GLC GLC GLC n/a n/a
22 1KCK - GLC G6D ADH GLC n/a n/a
23 1OT2 - BGC GLC GLC GLC n/a n/a
24 1PEZ - BGC GLC n/a n/a
25 1CDG - MAL C12 H22 O11 C([C@@H]1[....
26 1QHP - MAL C12 H22 O11 C([C@@H]1[....
27 1QHO - MAL C12 H22 O11 C([C@@H]1[....
28 3BMW - GLC GLC G6D ACI GLC GLC GLC n/a n/a
29 5CGT - GLC C6 H12 O6 C([C@@H]1[....
30 9CGT - TM5 C30 H52 O23 S3 C([C@@H]1[....
31 8CGT - TM6 C36 H62 O28 S3 C([C@@H]1[....
32 1CGU - GLC GLC n/a n/a
33 3CGT - BCD C42 H70 O35 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC GLC GLC GLC GLC; Similar ligands found: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GAL GLC 1 1
2 GLC GAL GAL 1 1
3 MAN MAN BMA BMA BMA BMA 1 1
4 CEX 1 1
5 MAN BMA BMA 1 1
6 CT3 1 1
7 MTT 1 1
8 BGC GLC GLC GLC 1 1
9 BGC BGC BGC GLC 1 1
10 GLC BGC GLC 1 1
11 CE8 1 1
12 MLR 1 1
13 BGC BGC BGC BGC BGC BGC BGC BGC BGC 1 1
14 GAL GAL GAL 1 1
15 BGC GLC GLC GLC GLC GLC GLC 1 1
16 MT7 1 1
17 GLC BGC BGC 1 1
18 CEY 1 1
19 BMA BMA BMA 1 1
20 GLC BGC BGC BGC BGC BGC 1 1
21 MAN BMA BMA BMA BMA 1 1
22 GLC GLC BGC GLC GLC GLC GLC 1 1
23 B4G 1 1
24 BGC GLC GLC 1 1
25 GLC GLC BGC 1 1
26 GLC GLC GLC GLC GLC GLC GLC 1 1
27 DXI 1 1
28 GLC BGC BGC BGC BGC 1 1
29 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
30 GLC GLC GLC GLC GLC 1 1
31 CTT 1 1
32 BMA BMA BMA BMA BMA 1 1
33 BMA BMA BMA BMA BMA BMA 1 1
34 BGC GLC GLC GLC GLC 1 1
35 BMA MAN BMA 1 1
36 CE5 1 1
37 CTR 1 1
38 CE6 1 1
39 BGC BGC BGC BGC BGC BGC 1 1
40 GLC GLC GLC GLC GLC GLC GLC GLC GLC 1 1
41 BMA BMA BMA BMA BMA BMA MAN 0.916667 0.970588
42 MAN BMA BMA BMA BMA BMA 0.916667 0.970588
43 BGC BMA 0.909091 1
44 LBT 0.909091 1
45 LAT 0.909091 1
46 GLC BGC 0.909091 1
47 GAL GLC 0.909091 1
48 BGC GAL 0.909091 1
49 MAB 0.909091 1
50 GLA GLA 0.909091 1
51 BMA GAL 0.909091 1
52 B2G 0.909091 1
53 N9S 0.909091 1
54 BGC GLC 0.909091 1
55 CBK 0.909091 1
56 GLA GAL 0.909091 1
57 BMA BMA 0.909091 1
58 GLC GAL 0.909091 1
59 CBI 0.909091 1
60 GAL BGC 0.909091 1
61 MAL MAL 0.909091 0.970588
62 MAL 0.909091 1
63 BGC BGC BGC BGC 0.830189 1
64 BGC BGC BGC BGC BGC BGC BGC BGC 0.830189 1
65 LAT GLA 0.765957 1
66 BMA BMA GLA BMA BMA 0.758621 1
67 GLA GAL GAL 0.754717 1
68 GLA GAL BGC 0.754717 1
69 GLC GLC GLC BGC 0.741379 1
70 BGC BGC GLC 0.735849 1
71 GLC GLC GLC GLC GLC GLC 0.677966 1
72 DR5 0.653846 0.942857
73 MMA MAN 0.653846 0.942857
74 NGA GAL BGC 0.650794 0.733333
75 GLA EGA 0.648148 0.942857
76 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.647059 0.942857
77 BGC BGC BGC XYS BGC BGC 0.647059 0.942857
78 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.647059 0.942857
79 ABD 0.637681 0.75
80 GAL NGA GLA BGC GAL 0.628571 0.733333
81 GLC GLC XYP 0.622951 1
82 GLA GAL BGC 5VQ 0.62069 0.891892
83 GLC GLC BGC XYS BGC XYS 0.617647 0.942857
84 G2F BGC BGC BGC BGC BGC 0.616667 0.868421
85 BGC BGC XYS BGC 0.61194 0.942857
86 MAL EDO 0.607143 0.942857
87 U63 0.6 0.891892
88 BGC BGC BGC XYS GAL 0.6 0.942857
89 NGA GLA GAL BGC 0.591549 0.733333
90 GLA GAL GLC NBU 0.590164 0.846154
91 M3M 0.584906 1
92 MAN GLC 0.584906 1
93 LB2 0.584906 1
94 GLC GAL NAG GAL 0.577465 0.733333
95 BGC GLA GAL FUC 0.573529 0.970588
96 OXZ BGC BGC 0.571429 0.6875
97 GAL FUC 0.571429 0.941176
98 GAL NAG GAL BGC 0.571429 0.733333
99 G2I 0.571429 0.767442
100 BGC GAL FUC 0.571429 0.970588
101 BMA BMA MAN 0.571429 0.970588
102 GLC GLC G6D ACI GLC GLC GLC 0.571429 0.785714
103 GLC GAL FUC 0.571429 0.970588
104 G3I 0.571429 0.767442
105 FUC LAT 0.571429 0.970588
106 BGC GAL NAG GAL 0.571429 0.733333
107 LAT FUC 0.571429 0.970588
108 FUC GAL GLC 0.571429 0.970588
109 LAT NAG GAL 0.571429 0.733333
110 2M4 0.566038 1
111 MAN MAN 0.566038 1
112 BGC BGC 0.566038 1
113 SGA BGC 0.559322 0.702128
114 GLC GLC XYS 0.553846 0.970588
115 BGC BGC BGC XYS BGC XYS GAL 0.545455 0.942857
116 GAL BGC BGC BGC XYS BGC XYS 0.545455 0.942857
117 SOR GLC GLC GLC 0.545455 0.970588
118 LAG 0.545455 0.6
119 ACR GLC GLC GLC 0.54321 0.733333
120 ARE 0.54321 0.733333
121 GLC GLC DAF BGC 0.54321 0.733333
122 GLC GLC ACI G6D GLC GLC 0.54321 0.733333
123 GLC GLC AGL HMC GLC 0.54321 0.733333
124 AAO 0.54321 0.733333
125 BGC BGC G2F SHG 0.542857 0.846154
126 BGC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
127 GLC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
128 BGC BGC XYS BGC XYS BGC XYS 0.541667 0.942857
129 NLC 0.540984 0.733333
130 5GO 0.540984 0.66
131 GAL NDG 0.540984 0.733333
132 NDG GAL 0.540984 0.733333
133 GLC GLC GLC G6D ADH GLC 0.536585 0.6875
134 GLC GLC FRU 0.536232 0.868421
135 GAL BGC BGC XYS 0.536232 0.942857
136 GLC BGC BGC BGC BGC BGC BGC 0.534483 1
137 GLC BGC BGC BGC 0.534483 1
138 DEL 0.534483 0.970588
139 BGC BGC BGC 0.534483 1
140 BGC BGC BGC BGC BGC 0.534483 1
141 BGC BGC BGC GLC BGC BGC 0.534483 1
142 BGC BGC BGC ASO BGC BGC ASO 0.534483 1
143 MVP 0.533333 0.733333
144 TRE 0.531915 1
145 GLC BGC BGC BGC XYS BGC XYS XYS 0.526316 0.916667
146 BMA MAN 0.526316 0.914286
147 BMA MAN MAN 0.52459 1
148 DMU 0.523077 0.785714
149 LMT 0.523077 0.785714
150 LMU 0.523077 0.785714
151 UMQ 0.523077 0.785714
152 NAG GAL BGC 0.521127 0.733333
153 GLC ACI GLD GLC 0.519481 0.785714
154 GLC G6D ACI GLC 0.519481 0.785714
155 GLC G6D ADH GLC 0.519481 0.785714
156 GLC ACI G6D BGC 0.519481 0.785714
157 GLC BGC BGC XYS BGC XYS XYS GAL 0.518519 0.942857
158 GAL BGC BGC BGC XYS XYS 0.518519 0.942857
159 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.518519 0.942857
160 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.518519 0.942857
161 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.518519 0.942857
162 FUC BGC GAL 0.515625 0.970588
163 SOR GLC GLC 0.515152 0.970588
164 RCB 0.514286 0.622642
165 GAL BGC NAG GAL 0.513889 0.733333
166 GAL GAL GLC EMB MEC 0.512195 0.622642
167 GLA MBG 0.509091 0.942857
168 6UZ 0.5 0.846154
169 GAC 0.5 0.767442
170 ACI GLD GLC GAL 0.5 0.785714
171 GLC AGL GLC HMC 0.5 0.717391
172 GAL GAL SO4 0.5 0.702128
173 GLO GLC GLC GLC 0.5 0.942857
174 DAF GLC GLC 0.5 0.785714
175 TXT 0.5 0.767442
176 MAN MAN BMA 0.5 1
177 DAF BGC GLC 0.5 0.785714
178 GLC GLC GLC PO4 SGC GLC 0.5 0.673469
179 GLC ACI GLD GAL 0.493827 0.733333
180 QV4 0.493827 0.733333
181 GLC ACI G6D GLC 0.493827 0.733333
182 NPJ 0.485714 0.622642
183 ACR 0.481013 0.733333
184 QPS 0.481013 0.733333
185 4MU BGC BGC BGC BGC 0.480519 0.767442
186 GAL NAG MAN 0.478873 0.733333
187 MAN NAG GAL 0.478873 0.733333
188 DOM 0.474576 0.942857
189 GLO GLC GLC 0.472222 0.942857
190 MAN BMA NAG 0.471429 0.733333
191 10M 0.471429 0.733333
192 GLA GAL NAG 0.471429 0.733333
193 NAG GAL GAL 0.471429 0.733333
194 8VZ 0.46875 0.673469
195 ACR GLC 0.468354 0.733333
196 ACR GLC GLC GLC GLC 0.468354 0.733333
197 FMO 0.467742 0.868421
198 4MU BGC BGC 0.467532 0.767442
199 MGL SGC GLC GLC 0.465753 0.868421
200 CM5 0.465753 0.891892
201 BGC BGC SGC MGL 0.465753 0.868421
202 NAG GAL GAL NAG GAL 0.460526 0.6875
203 CGC 0.460317 0.941176
204 MA4 0.459459 0.891892
205 5QP 0.459016 0.885714
206 BGC GLC AC1 GLC GLC GLC AC1 0.457831 0.75
207 ACI G6D GLC ACI G6D BGC 0.457831 0.75
208 ACI GLD GLC ACI G6D BGC 0.457831 0.75
209 AC1 GLC AC1 BGC 0.457831 0.75
210 DAF GLC DAF GLC GLC 0.457831 0.75
211 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.457831 0.75
212 GAL MBG 0.457627 0.942857
213 RZM 0.457627 0.688889
214 M13 0.457627 0.942857
215 MDM 0.457627 0.942857
216 LSE 0.457143 0.6875
217 GLA GAL NAG FUC GAL GLC 0.454545 0.717391
218 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.453488 0.680851
219 MAN MNM 0.451613 0.75
220 GTM BGC BGC 0.450704 0.868421
221 MAN MAN MAN MAN 0.449275 1
222 MAN MAN BMA MAN 0.449275 1
223 ACG 0.448276 0.695652
224 GLC GLC GLC GLC 0.447761 1
225 NAG BMA 0.447761 0.653061
226 FUC GAL NAG GAL BGC 0.447059 0.717391
227 GAL A2G 0.446154 0.733333
228 GAL NGA 0.446154 0.733333
229 A2G GAL 0.446154 0.733333
230 NOJ GLC 0.444444 0.727273
231 MAN BMA MAN MAN MAN 0.442857 1
232 M5S 0.442857 1
233 GAL NAG GAL NAG GAL NAG 0.441558 0.673469
234 NAG GAL GAL NAG 0.441558 0.6875
235 MAN MAN MAN GLC 0.441176 1
236 GLA GLC 0.440678 1
237 LAK 0.440678 1
238 MLB 0.440678 1
239 BMA GLA 0.440678 1
240 GLA BMA 0.440678 1
241 BGC GLA 0.440678 1
242 MAN BMA 0.440678 1
243 GLA BGC 0.440678 1
244 GAL GAL 0.440678 1
245 BGC SGC BGC SGC BGC SGC BGC SGC 0.438356 0.916667
246 TM6 0.438356 0.916667
247 ABL 0.4375 0.702128
248 BMA FRU 0.435484 0.842105
249 FRU GAL 0.435484 0.842105
250 NOY BGC 0.435484 0.75
251 DAF GLC 0.434211 0.785714
252 DAF BGC 0.434211 0.785714
253 FUC GAL GLA 0.432836 0.970588
254 FUC GLA GLA 0.432836 0.970588
255 GAL GAL FUC 0.432836 0.970588
256 GLA GLA FUC 0.432836 0.970588
257 GLA GAL FUC 0.432836 0.970588
258 A2G GAL BGC FUC 0.428571 0.717391
259 BGC OXZ 0.428571 0.666667
260 ISX 0.428571 0.761905
261 BMA IFM 0.428571 0.744186
262 IFM BGC 0.428571 0.744186
263 VAM 0.428571 0.868421
264 9MR 0.428571 0.744186
265 IFM BMA 0.428571 0.744186
266 GLF B8D 0.428571 0.775
267 GLC GAL NAG GAL FUC FUC 0.426966 0.702128
268 7SA 0.426966 0.702128
269 BGC GAL NAG GAL FUC FUC 0.426966 0.702128
270 MAN MAN MAN BMA MAN 0.426667 1
271 GLC GLC GLC 0.42623 1
272 GLC GLC GLC GLC BGC 0.42623 1
273 GLC GLC GLC GLC GLC BGC 0.42623 1
274 MAN MAN MAN 0.42623 1
275 GLC GLC XYS XYS 0.422535 0.914286
276 GLC DMJ 0.421875 0.727273
277 BMA BMA BMA BMA GLA BMA GLA 0.420455 0.846154
278 GCS GCS 0.419355 0.804878
279 PA1 GCS 0.419355 0.804878
280 3SA 0.417722 0.733333
281 HMC AGL GLC 0.417722 0.717391
282 BGC 0.416667 0.848485
283 GLC 0.416667 0.848485
284 GLA 0.416667 0.848485
285 XZZ BGC BGC 0.416667 0.702128
286 6SA 0.416667 0.733333
287 GIV 0.416667 0.848485
288 GXL 0.416667 0.848485
289 BMA 0.416667 0.848485
290 ALL 0.416667 0.848485
291 WOO 0.416667 0.848485
292 MAN 0.416667 0.848485
293 GAL 0.416667 0.848485
294 HSD G6D GLC HSD G6D GLC BGC 0.41573 0.702128
295 ACI G6D GLC ACI G6D GLC GLC 0.41573 0.702128
296 HSD G6D GLC HSD G6D GLC GLC 0.41573 0.702128
297 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.41573 0.702128
298 GAL NAG GAL 0.415584 0.702128
299 GCS GCS GCS GCS GCS GCS 0.415385 0.804878
300 GCS GCS GCS 0.415385 0.804878
301 GCS GCS GCS GCS GCS 0.415385 0.804878
302 P3M 0.414286 0.767442
303 MAN DGO 0.412698 0.914286
304 NAG NDG BMA 0.410256 0.634615
305 NAG NAG BMA 0.410256 0.634615
306 T6P 0.409836 0.767442
307 NAG MAN GAL MAN MAN NAG GAL 0.409091 0.6875
308 FUC BGC GAL NAG GAL 0.409091 0.717391
309 AMG 0.403846 0.857143
310 MBG 0.403846 0.857143
311 GYP 0.403846 0.857143
312 MMA 0.403846 0.857143
313 MAN 7D1 0.403226 0.888889
314 GAL MGC 0.402985 0.702128
315 GAL NGA A2G 0.402778 0.673469
316 MGL SGC BGC BGC 0.402299 0.622642
317 AGL GLC HMC AGL GLC BGC 0.402174 0.680851
318 FUC NDG GAL 0.4 0.717391
319 BGC BGC XYS BGC XYS GAL 0.4 0.916667
320 A2G GAL NAG FUC GAL GLC 0.4 0.673469
321 MBG A2G 0.4 0.702128
322 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.4 0.916667
323 GLC GAL NAG GAL FUC A2G 0.4 0.673469
324 AHR 0.4 0.742857
325 FUB 0.4 0.742857
326 A2G MBG 0.4 0.702128
327 RIB 0.4 0.742857
328 GAL NAG FUC 0.4 0.717391
329 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.4 0.916667
330 GAL NDG FUC 0.4 0.717391
331 32O 0.4 0.742857
332 FUC NAG GAL 0.4 0.717391
333 Z6J 0.4 0.742857
Ligand no: 2; Ligand: GLC GLC; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC 1 1
2 BGP 0.423077 0.707317
3 M6D 0.423077 0.707317
4 A6P 0.423077 0.707317
5 BG6 0.423077 0.707317
6 M6P 0.423077 0.707317
7 G6P 0.423077 0.707317
Ligand no: 3; Ligand: GLC GLC GLC; Similar ligands found: 169
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC BGC 1 1
2 GLC GLC GLC 1 1
3 MAN MAN MAN 1 1
4 GLC GLC GLC GLC BGC 1 1
5 MLB 0.953488 1
6 MAN BMA 0.953488 1
7 GLA GLC 0.953488 1
8 BMA GLA 0.953488 1
9 BGC GLA 0.953488 1
10 LAK 0.953488 1
11 GAL GAL 0.953488 1
12 GLA BGC 0.953488 1
13 GLA BMA 0.953488 1
14 AHR AHR AHR 0.744681 0.857143
15 FUB AHR AHR 0.744681 0.857143
16 MAN MAN MAN MAN 0.736842 1
17 MAN MAN BMA MAN 0.736842 1
18 FUB AHR 0.717391 0.857143
19 AHR AHR 0.717391 0.857143
20 GLC GLC GLC GLC 0.684211 1
21 MAN MMA 0.666667 0.942857
22 GLC GLC GLC GLC GLC GLC 0.661017 1
23 GLC GLC GLC BGC 0.639344 1
24 M5S 0.612903 1
25 MAN BMA MAN MAN MAN 0.612903 1
26 MAN MAN MAN BMA MAN 0.58209 1
27 BMA BMA GLA BMA BMA 0.530303 1
28 MAN MMA MAN 0.52381 0.942857
29 FRU GLC GLA 0.523077 0.891892
30 RAF 0.523077 0.891892
31 MAN MAN MAN BMA MAN MAN MAN 0.506494 0.942857
32 NGB 0.492754 0.622642
33 GLA 0.488889 0.848485
34 BGC 0.488889 0.848485
35 MAN 0.488889 0.848485
36 ALL 0.488889 0.848485
37 GIV 0.488889 0.848485
38 BMA 0.488889 0.848485
39 GXL 0.488889 0.848485
40 GLC 0.488889 0.848485
41 WOO 0.488889 0.848485
42 GAL 0.488889 0.848485
43 SUC GLA 0.478873 0.891892
44 MAN H1M MAN 0.478261 0.868421
45 BMA BMA MAN 0.474576 0.970588
46 4CQ 0.46875 0.970588
47 WZ2 0.463768 0.868421
48 NAG MAN BMA 0.459459 0.733333
49 NAG MAN MAN 0.459459 0.733333
50 GAL GLC 0.45614 1
51 BGC GLC 0.45614 1
52 CBI 0.45614 1
53 MAL 0.45614 1
54 LAT 0.45614 1
55 LBT 0.45614 1
56 BGC GAL 0.45614 1
57 N9S 0.45614 1
58 B2G 0.45614 1
59 MAL MAL 0.45614 0.970588
60 MAB 0.45614 1
61 BMA GAL 0.45614 1
62 GAL BGC 0.45614 1
63 GLC BGC 0.45614 1
64 GLA GAL 0.45614 1
65 CBK 0.45614 1
66 GLC GAL 0.45614 1
67 BGC BMA 0.45614 1
68 GLA GLA 0.45614 1
69 BMA BMA 0.45614 1
70 RGG 0.454545 0.882353
71 WZ3 0.450704 0.916667
72 DEG 0.446429 0.769231
73 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.445783 0.6875
74 1GN ACY GAL ACY 1GN BGC GAL BGC 0.445783 0.6875
75 DMJ MAN 0.444444 0.727273
76 BMA BMA BMA BMA BMA BMA MAN 0.444444 0.970588
77 MAN BMA BMA BMA BMA BMA 0.444444 0.970588
78 NAG BMA MAN MAN MAN MAN 0.444444 0.733333
79 NOJ BGC 0.444444 0.727273
80 GLC BGC BGC BGC XYS BGC XYS XYS 0.4375 0.916667
81 IFM MAN 0.4375 0.744186
82 M6D 0.433962 0.674419
83 G6P 0.433962 0.674419
84 BG6 0.433962 0.674419
85 M6P 0.433962 0.674419
86 A6P 0.433962 0.674419
87 BGP 0.433962 0.674419
88 DGD 0.433735 0.733333
89 LB2 0.431034 1
90 MAN GLC 0.431034 1
91 M3M 0.431034 1
92 EBQ 0.431034 0.837838
93 EBG 0.431034 0.837838
94 BGC BGC XYS BGC 0.426667 0.942857
95 CT3 0.42623 1
96 MLR 0.42623 1
97 GLC GLC BGC GLC GLC GLC GLC 0.42623 1
98 CEY 0.42623 1
99 GLC BGC GLC 0.42623 1
100 GLC GAL GAL 0.42623 1
101 GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
102 GLC GLC BGC 0.42623 1
103 GLC GLC GLC GLC GLC GLC GLC 0.42623 1
104 BGC GLC GLC GLC GLC 0.42623 1
105 MAN MAN BMA BMA BMA BMA 0.42623 1
106 B4G 0.42623 1
107 MAN BMA BMA BMA BMA 0.42623 1
108 CEX 0.42623 1
109 BMA BMA BMA BMA BMA 0.42623 1
110 DXI 0.42623 1
111 GLC BGC BGC BGC BGC BGC 0.42623 1
112 CTT 0.42623 1
113 CTR 0.42623 1
114 BMA BMA BMA 0.42623 1
115 GLC GLC GLC GLC GLC 0.42623 1
116 BGC GLC GLC 0.42623 1
117 GLC BGC BGC 0.42623 1
118 MAN BMA BMA 0.42623 1
119 MTT 0.42623 1
120 BMA BMA BMA BMA BMA BMA 0.42623 1
121 BGC GLC GLC GLC GLC GLC GLC 0.42623 1
122 CE5 0.42623 1
123 BMA MAN BMA 0.42623 1
124 BGC GLC GLC GLC 0.42623 1
125 GLA GAL GLC 0.42623 1
126 GAL GAL GAL 0.42623 1
127 CE6 0.42623 1
128 GLC BGC BGC BGC BGC 0.42623 1
129 BGC BGC BGC BGC BGC BGC 0.42623 1
130 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
131 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.42623 1
132 MT7 0.42623 1
133 BGC BGC BGC GLC 0.42623 1
134 CE8 0.42623 1
135 HEX GLC 0.423729 0.714286
136 BHG 0.423729 0.714286
137 GLC HEX 0.423729 0.714286
138 JZR 0.423729 0.714286
139 TRE 0.42 1
140 WZ5 0.418605 0.702128
141 GAL GAL SO4 0.41791 0.702128
142 KGM 0.416667 0.738095
143 B7G 0.416667 0.738095
144 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.41573 0.733333
145 BGC BGC 0.413793 1
146 2M4 0.413793 1
147 MAN MAN 0.413793 1
148 MMA 0.411765 0.857143
149 AMG 0.411765 0.857143
150 MBG 0.411765 0.857143
151 GYP 0.411765 0.857143
152 GLC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
153 BGC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
154 BGC BGC XYS BGC XYS BGC XYS 0.410256 0.942857
155 SER MAN 0.409836 0.775
156 BOG 0.409836 0.738095
157 BNG 0.409836 0.738095
158 HSJ 0.409836 0.738095
159 GLC GLC XYS XYS 0.408451 0.914286
160 GL1 0.407407 0.697674
161 M1P 0.407407 0.697674
162 XGP 0.407407 0.697674
163 G1P 0.407407 0.697674
164 6SA 0.40625 0.733333
165 AXR BXY BXY BXX 0.405405 0.789474
166 NAG BMA MAN MAN MAN MAN MAN 0.405063 0.868421
167 GAL FUC 0.403226 0.941176
168 GAL BGC NAG GAL 0.402597 0.733333
169 GAL BGC BGC XYS 0.4 0.942857
Ligand no: 4; Ligand: GLC GLC GLC G6D ADH GLC; Similar ligands found: 125
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC G6D ADH GLC 1 1
2 ARE 0.567308 0.897959
3 AAO 0.567308 0.897959
4 GLC GLC ACI G6D GLC GLC 0.552381 0.9375
5 GLC GLC DAF BGC 0.552381 0.9375
6 ACR GLC GLC GLC 0.552381 0.9375
7 GLC GLC AGL HMC GLC 0.552381 0.9375
8 MT7 0.536585 0.6875
9 CT3 0.536585 0.6875
10 GLC GLC BGC GLC GLC GLC GLC 0.536585 0.6875
11 CTT 0.536585 0.6875
12 DXI 0.536585 0.6875
13 GLC BGC BGC BGC BGC BGC 0.536585 0.6875
14 GLA GAL GLC 0.536585 0.6875
15 GLC GLC GLC GLC GLC GLC GLC GLC 0.536585 0.6875
16 GLC BGC BGC 0.536585 0.6875
17 GLC GLC GLC GLC GLC 0.536585 0.6875
18 BGC GLC GLC GLC 0.536585 0.6875
19 BMA BMA BMA 0.536585 0.6875
20 BGC BGC BGC GLC 0.536585 0.6875
21 MAN BMA BMA 0.536585 0.6875
22 CTR 0.536585 0.6875
23 CE8 0.536585 0.6875
24 CE5 0.536585 0.6875
25 CEY 0.536585 0.6875
26 GLC BGC GLC 0.536585 0.6875
27 MLR 0.536585 0.6875
28 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.536585 0.6875
29 BMA BMA BMA BMA BMA 0.536585 0.6875
30 BMA MAN BMA 0.536585 0.6875
31 BGC GLC GLC GLC GLC GLC GLC 0.536585 0.6875
32 BGC GLC GLC 0.536585 0.6875
33 GLC GAL GAL 0.536585 0.6875
34 MAN MAN BMA BMA BMA BMA 0.536585 0.6875
35 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.536585 0.6875
36 B4G 0.536585 0.6875
37 BGC GLC GLC GLC GLC 0.536585 0.6875
38 GAL GAL GAL 0.536585 0.6875
39 GLC GLC GLC GLC GLC GLC GLC 0.536585 0.6875
40 CEX 0.536585 0.6875
41 GLC BGC BGC BGC BGC 0.536585 0.6875
42 BGC BGC BGC BGC BGC BGC 0.536585 0.6875
43 MTT 0.536585 0.6875
44 GLC GLC BGC 0.536585 0.6875
45 BMA BMA BMA BMA BMA BMA 0.536585 0.6875
46 CE6 0.536585 0.6875
47 MAN BMA BMA BMA BMA 0.536585 0.6875
48 QV4 0.528846 0.897959
49 GLC ACI GLD GAL 0.514286 0.9375
50 GLC ACI G6D GLC 0.514286 0.9375
51 MAN BMA BMA BMA BMA BMA 0.511628 0.708333
52 BMA BMA BMA BMA BMA BMA MAN 0.511628 0.708333
53 ACG 0.490909 0.86
54 GLC AGL GLC HMC 0.490741 0.88
55 BMA BMA 0.487805 0.6875
56 GLA GAL 0.487805 0.6875
57 MAB 0.487805 0.6875
58 LAT 0.487805 0.6875
59 GLA GLA 0.487805 0.6875
60 CBI 0.487805 0.6875
61 BGC GAL 0.487805 0.6875
62 LBT 0.487805 0.6875
63 BGC GLC 0.487805 0.6875
64 GAL GLC 0.487805 0.6875
65 B2G 0.487805 0.6875
66 GAL BGC 0.487805 0.6875
67 N9S 0.487805 0.6875
68 BMA GAL 0.487805 0.6875
69 BGC BMA 0.487805 0.6875
70 MAL MAL 0.487805 0.708333
71 MAL 0.487805 0.6875
72 GLC GAL 0.487805 0.6875
73 CBK 0.487805 0.6875
74 GLC BGC 0.487805 0.6875
75 BGC BGC BGC BGC BGC BGC BGC BGC 0.483516 0.6875
76 BGC BGC BGC BGC 0.483516 0.6875
77 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.481818 0.88
78 BMA BMA GLA BMA BMA 0.473684 0.6875
79 7SA 0.473214 0.862745
80 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.470588 0.693878
81 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.470588 0.693878
82 BGC BGC BGC XYS BGC BGC 0.470588 0.693878
83 AGL GLC HMC AGL GLC BGC 0.464912 0.88
84 6SA 0.462185 0.897959
85 ABD 0.451923 0.769231
86 HSD G6D GLC HSD G6D GLC BGC 0.451327 0.9
87 HSD G6D GLC HSD G6D GLC GLC 0.451327 0.9
88 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.451327 0.9
89 ACI G6D GLC ACI G6D GLC GLC 0.451327 0.9
90 GLC GLC BGC XYS BGC XYS 0.45098 0.693878
91 GLC GLC GLC BGC 0.447917 0.6875
92 GLC GLC G6D ACI GLC GLC GLC 0.445455 0.836735
93 BGC BGC GLC 0.444444 0.6875
94 GLA GAL BGC 0.43956 0.6875
95 GLA GAL GAL 0.43956 0.6875
96 ABC 0.435897 0.86
97 ACR 0.435185 0.897959
98 QPS 0.435185 0.897959
99 NGA GAL BGC 0.434343 0.754717
100 GAL NGA GLA BGC GAL 0.433962 0.754717
101 BGC BGC XYS BGC 0.431373 0.693878
102 BGC BGC BGC XYS GAL 0.428571 0.693878
103 LAT GLA 0.423529 0.6875
104 BGC GLA GAL FUC 0.421569 0.708333
105 GAL BGC BGC BGC XYS BGC XYS 0.414414 0.693878
106 BGC BGC BGC XYS BGC XYS GAL 0.414414 0.693878
107 ACR GLC GLC GLC GLC 0.412844 0.9375
108 ACR GLC 0.412844 0.9375
109 GLC GLC GLC GLC GLC GLC 0.412371 0.6875
110 NGA GLA GAL BGC 0.411215 0.754717
111 GLC G6D ACI GLC 0.409091 0.836735
112 GLC G6D ADH GLC 0.409091 0.836735
113 GLC ACI GLD GLC 0.409091 0.836735
114 GLC ACI G6D BGC 0.409091 0.836735
115 FUC BGC GAL 0.40625 0.708333
116 BGC BGC XYS BGC XYS BGC XYS 0.40566 0.693878
117 GLC BGC BGC XYS BGC XYS XYS 0.40566 0.693878
118 BGC BGC BGC XYS BGC XYS XYS 0.40566 0.693878
119 GLC GAL NAG GAL 0.401869 0.754717
120 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.4 0.693878
121 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.4 0.693878
122 GLC BGC BGC XYS BGC XYS XYS GAL 0.4 0.693878
123 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.4 0.693878
124 GAL BGC BGC BGC XYS XYS 0.4 0.693878
125 GLC BGC BGC BGC XYS BGC XYS XYS 0.4 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CXG; Ligand: GLC G6D ACI GLC; Similar sites found: 34
This union binding pocket(no: 1) in the query (biounit: 2cxg.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GDV BGC 0.00001852 0.41255 1.98413
2 3KLL MAL 0.0002898 0.43095 2.33236
3 5JBE GLC GLC GLC GLC GLC 0.0006181 0.41831 2.33236
4 1H8P PC 0.03958 0.40845 2.75229
5 2FHF GLC GLC GLC GLC 0.0001334 0.47345 3.35277
6 4IF4 BEF 0.0416 0.40191 5.76923
7 5CGM MAL 0.002896 0.45475 8.60058
8 3K8L CEY 0.0000004207 0.5877 10.3139
9 3K8L MT7 0.000003101 0.52614 10.3139
10 3UER BTU 0.000002187 0.6107 12.3664
11 2AF6 BRU 0.04951 0.40514 13.5659
12 3WY2 BGC 0.00001596 0.54185 18.7732
13 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.04798 0.40016 21.3115
14 1UA7 ACI GLD GLC ACI G6D BGC 0.00000004238 0.62332 22.5118
15 1PIG AGL GLC HMC AGL GLC BGC 0.0000001135 0.55883 22.7823
16 3BC9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.00002491 0.46899 23.0384
17 1VB9 GLC GLC GLC GLC GLC GLC 0.0000004379 0.46135 28.0342
18 1G94 DAF GLC DAF GLC GLC 0.0000001592 0.49814 29.2411
19 1JDC GLC GLC GLC GLC 0.0000088 0.43875 31.0023
20 1J0I GLC GLC GLC 0.0000001092 0.68563 32.483
21 3EDF ACX 0.00000004348 0.49823 32.7787
22 3EDF CE6 0.00000007181 0.49823 32.7787
23 1UH4 GLC GLC GLC 0.00000008044 0.51971 32.967
24 2GJP BGC GLC DAF GLC GLC GLC DAF 0.00002459 0.49934 33.4021
25 3VM7 GLC 0.0000001259 0.73074 33.9431
26 1LWJ ACG 0.0000008673 0.45383 36.2812
27 4W93 3L9 0.000000581 0.52232 36.6936
28 2D3N GLC GLC GLC GLC 0.00001661 0.485 36.9072
29 2D3N GLC GLC GLC GLC GLC GLC 0.00001492 0.48378 36.9072
30 2D3N GLC 0.00001225 0.48378 36.9072
31 1E3Z ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.00002023 0.47225 40.9938
32 2GVY GLC GLC 0.00000000008608 0.4757 43.5146
33 4E2O ACI G6D GLC ACI G6D BGC 0.000000000008356 0.84174 46.0352
34 5A2B MAL 0.00000000006723 0.48876 46.0765
Pocket No.: 2; Query (leader) PDB : 2CXG; Ligand: GLC GLC; 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: 2cxg.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2CXG; Ligand: GLC GLC GLC GLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2cxg.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2CXG; Ligand: GLC GLC; Similar sites found: 61
This union binding pocket(no: 4) in the query (biounit: 2cxg.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ANW O92 0.01937 0.4207 1.16618
2 4S3R 7SA 0.02657 0.41991 1.58046
3 4QXR 1YE 0.03318 0.41198 1.59574
4 1XKV ATP 0.02166 0.40368 1.70132
5 4M0F 1YK 0.04451 0.40268 1.84502
6 3H4L ANP 0.013 0.42061 1.90736
7 4P32 ADP 0.02883 0.40746 2.00803
8 2X06 NAD 0.03344 0.40873 2.03488
9 4B74 1LH 0.01581 0.41938 2.1021
10 4NZ6 DGL 0.001723 0.43073 2.23642
11 5I35 ANP 0.02027 0.40098 2.29008
12 3MD0 GDP 0.01795 0.40137 2.53521
13 2ZX2 RAM 0.004752 0.42439 2.5641
14 2CWH NDP 0.004369 0.46026 2.62391
15 2CWH PYC 0.01125 0.4443 2.62391
16 5CEO 50D 0.007585 0.43119 2.66667
17 1EB1 ZAL PRO MMO 0.02636 0.41275 2.72374
18 1R37 NAD 0.02913 0.41997 2.88184
19 5DY5 5GR 0.01168 0.46236 2.96053
20 2BNF UTP 0.02129 0.40951 3.3195
21 2BNE U5P 0.02231 0.40311 3.3195
22 1VPV PLM 0.0337 0.40605 3.33333
23 1CR1 TTP 0.01527 0.41931 3.37838
24 4UP3 FAD 0.02081 0.4324 3.50318
25 1QF9 ALF 0.03546 0.41009 3.60825
26 1QF9 C5P 0.03546 0.41009 3.60825
27 1QF9 ADP 0.03546 0.41009 3.60825
28 3H86 AP5 0.02 0.4249 3.64583
29 1SQA UI1 0.0125 0.43789 3.67347
30 2NYR SVR 0.001676 0.52013 3.69004
31 2YYY NAP 0.0285 0.41154 3.79009
32 2VG1 FPP 0.02634 0.4085 3.94737
33 5DQ8 FLF 0.03444 0.40142 4.16667
34 1NE6 SP1 0.02116 0.40084 4.24028
35 5GLN XYS 0.03265 0.4023 4.36047
36 1V9N NDP 0.02223 0.42494 4.44444
37 4AGQ P96 0.01588 0.41276 4.56621
38 4YHB FAD 0.01059 0.43465 4.7619
39 2BKK ADP 0.01852 0.40176 4.92424
40 2B8T THM 0.02253 0.4045 5.38117
41 1TL2 NDG 0.004194 0.42993 6.35593
42 4FJU NAI 0.01419 0.4302 6.83761
43 5G41 AP5 0.04334 0.41865 7.17489
44 2P8O BVA 0.02258 0.40238 7.2165
45 1X9D SMD 0.004837 0.44236 7.80669
46 1QXA GLY GLY GLY 0.003942 0.41469 8.08511
47 2B4G FMN 0.03653 0.4056 9.14826
48 3L9R L9R 0.04594 0.402 10.2041
49 4K49 HFQ 0.02725 0.42149 10.2941
50 2XBP ATP 0.03727 0.40639 10.6195
51 2EC9 24X 0.0409 0.40051 10.6667
52 4SGA ACE PRO ALA PRO PHE 0.0234 0.40032 12.7072
53 3F5O UOC COA 0.04011 0.40101 14.1892
54 5L2J 70E 0.0448 0.42185 14.2857
55 5L2J 6UL 0.04292 0.42185 14.2857
56 1S5P LYS GLY GLY ALA ALY ARG HIS ARG 0.001588 0.46837 14.8936
57 3KOX Z98 0.02028 0.40758 15.7025
58 1OE0 TTP 0.01127 0.43518 18.6957
59 3VXE DPN PRO ARG 0.01487 0.41745 29.4118
60 1JDC GLC GLC GLC GLC 0.01844 0.41364 31.0023
61 1TMT DPN PRO ARG 0.007665 0.43228 33.3333
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