Receptor
PDB id Resolution Class Description Source Keywords
1U0A 1.64 Å EC: 3.2.1.73 CRYSTAL STRUCTURE OF THE ENGINEERED BETA-1,3-1,4-ENDOGLUCANA M) IN COMPLEX WITH BETA-GLUCAN TETRASACCHARIDE PAENIBACILLUS MACERANS 1 3-1 4-BETA-GLUCANASE PROTEIN-CARBOHYDRATE INTERACTION SITE VARIANT JELLYROLL ARCHITECTURE HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF A 1,3-1,4-BETA-GLUCANASE J.MOL.BIOL. V. 357 1211 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC BGC BGC A:4014;
B:4024;
C:4034;
D:4044;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
666.579 n/a O(C1O...
CA A:5004;
B:5002;
C:5003;
D:5001;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
ZN A:5005;
A:5011;
B:5006;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U0A 1.64 Å EC: 3.2.1.73 CRYSTAL STRUCTURE OF THE ENGINEERED BETA-1,3-1,4-ENDOGLUCANA M) IN COMPLEX WITH BETA-GLUCAN TETRASACCHARIDE PAENIBACILLUS MACERANS 1 3-1 4-BETA-GLUCANASE PROTEIN-CARBOHYDRATE INTERACTION SITE VARIANT JELLYROLL ARCHITECTURE HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF A 1,3-1,4-BETA-GLUCANASE J.MOL.BIOL. V. 357 1211 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1U0A - BGC BGC BGC BGC n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1U0A - BGC BGC BGC BGC n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1U0A - BGC BGC BGC BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC BGC BGC BGC; Similar ligands found: 276
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC BGC 1 1
2 BGC BGC BGC BGC BGC BGC BGC BGC 1 1
3 GLA GAL GAL 0.924528 1
4 GLA GAL BGC 0.924528 1
5 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.830189 1
6 B4G 0.830189 1
7 CEX 0.830189 1
8 CE8 0.830189 1
9 CT3 0.830189 1
10 DXI 0.830189 1
11 BGC GLC GLC GLC GLC 0.830189 1
12 CTT 0.830189 1
13 BGC GLC GLC GLC 0.830189 1
14 MAN MAN BMA BMA BMA BMA 0.830189 1
15 GLC GAL GAL 0.830189 1
16 MAN BMA BMA BMA BMA 0.830189 1
17 GAL GAL GAL 0.830189 1
18 BGC GLC GLC GLC GLC GLC GLC 0.830189 1
19 GLA GAL GLC 0.830189 1
20 MTT 0.830189 1
21 MT7 0.830189 1
22 GLC BGC BGC 0.830189 1
23 CEY 0.830189 1
24 BMA BMA BMA 0.830189 1
25 GLC BGC BGC BGC BGC BGC 0.830189 1
26 BGC BGC BGC GLC 0.830189 1
27 GLC BGC GLC 0.830189 1
28 MLR 0.830189 1
29 BGC GLC GLC 0.830189 1
30 GLC GLC BGC 0.830189 1
31 BMA MAN BMA 0.830189 1
32 BMA BMA BMA BMA BMA BMA 0.830189 1
33 CTR 0.830189 1
34 GLC BGC BGC BGC BGC 0.830189 1
35 GLC GLC GLC GLC GLC GLC GLC GLC 0.830189 1
36 BMA BMA BMA BMA BMA 0.830189 1
37 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.830189 1
38 BGC BGC BGC BGC BGC BGC 0.830189 1
39 CE6 0.830189 1
40 CE5 0.830189 1
41 GLC GLC GLC GLC GLC GLC GLC 0.830189 1
42 MAN BMA BMA 0.830189 1
43 GLC GLC GLC GLC GLC 0.830189 1
44 GLC GLC BGC GLC GLC GLC GLC 0.830189 1
45 MAN BMA BMA BMA BMA BMA 0.77193 0.970588
46 BMA BMA BMA BMA BMA BMA MAN 0.77193 0.970588
47 GLA GAL 0.754717 1
48 GLC BGC 0.754717 1
49 BMA BMA 0.754717 1
50 BGC BMA 0.754717 1
51 GLA GLA 0.754717 1
52 BGC GAL 0.754717 1
53 CBI 0.754717 1
54 BGC GLC 0.754717 1
55 GAL GLC 0.754717 1
56 BMA GAL 0.754717 1
57 N9S 0.754717 1
58 B2G 0.754717 1
59 GLC GAL 0.754717 1
60 MAB 0.754717 1
61 LBT 0.754717 1
62 GAL BGC 0.754717 1
63 CBK 0.754717 1
64 LAT 0.754717 1
65 MAL MAL 0.754717 0.970588
66 MAL 0.754717 1
67 BGC BGC GLC 0.741379 1
68 GAL NGA GLA BGC GAL 0.732394 0.733333
69 NGA GLA GAL BGC 0.694444 0.733333
70 BGC BGC BGC ASO BGC BGC ASO 0.689655 1
71 GLC BGC BGC BGC 0.689655 1
72 BGC BGC BGC BGC BGC 0.689655 1
73 BGC BGC BGC GLC BGC BGC 0.689655 1
74 GLC BGC BGC BGC BGC BGC BGC 0.689655 1
75 BGC BGC BGC 0.689655 1
76 GLC GAL NAG GAL 0.680556 0.733333
77 LAT NAG GAL 0.676056 0.733333
78 BGC GAL NAG GAL 0.676056 0.733333
79 GAL NAG GAL BGC 0.676056 0.733333
80 BMA BMA GLA BMA BMA 0.656716 1
81 LAT GLA 0.642857 1
82 GLC GLC GLC BGC 0.641791 1
83 NAG GAL BGC 0.625 0.733333
84 LB2 0.603448 1
85 M3M 0.603448 1
86 MAN GLC 0.603448 1
87 NAG GAL GAL 0.6 0.733333
88 MAN BMA NAG 0.6 0.733333
89 GLA GAL NAG 0.6 0.733333
90 GLC GLC GLC GLC GLC GLC 0.588235 1
91 SGA BGC 0.578125 0.702128
92 MAN MAN MAN GLC 0.573529 1
93 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.571429 0.942857
94 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.571429 0.942857
95 BGC BGC BGC XYS BGC BGC 0.571429 0.942857
96 NGA GAL BGC 0.569444 0.733333
97 ABD 0.564103 0.75
98 5GO 0.560606 0.66
99 NAG GAL GAL NAG GAL 0.558442 0.6875
100 MMA MAN 0.557377 0.942857
101 M13 0.557377 0.942857
102 DR5 0.557377 0.942857
103 MDM 0.557377 0.942857
104 GAL MBG 0.557377 0.942857
105 GLA EGA 0.555556 0.942857
106 BGC GLA GAL FUC 0.546667 0.970588
107 GLC GLC BGC XYS BGC XYS 0.545455 0.942857
108 GLC GLC XYP 0.542857 1
109 P3M 0.542857 0.767442
110 BGC BGC XYS BGC 0.539474 0.942857
111 GLA GAL NAG FUC GAL GLC 0.539326 0.717391
112 GAL NAG GAL NAG GAL NAG 0.538462 0.673469
113 NAG GAL GAL NAG 0.538462 0.6875
114 GLA GAL BGC 5VQ 0.537313 0.891892
115 G2F BGC BGC BGC BGC BGC 0.536232 0.868421
116 FUC GAL NAG GAL BGC 0.534884 0.717391
117 BGC BGC BGC XYS GAL 0.531646 0.942857
118 MAL EDO 0.523077 0.942857
119 BMA MAN MAN 0.522388 1
120 U63 0.515625 0.891892
121 BMA BMA MAN 0.515625 0.970588
122 GLA GAL GLC NBU 0.514286 0.846154
123 GLC GLC G6D ACI GLC GLC GLC 0.511628 0.785714
124 GLC GAL NAG GAL FUC FUC 0.511111 0.702128
125 BGC GAL NAG GAL FUC FUC 0.511111 0.702128
126 BGC BGC 0.508197 1
127 MAN MAN 0.508197 1
128 2M4 0.508197 1
129 OXZ BGC BGC 0.5 0.6875
130 GAL GAL SO4 0.5 0.702128
131 FUC GAL GLC 0.5 0.970588
132 BGC GAL FUC 0.5 0.970588
133 LAT FUC 0.5 0.970588
134 GLC GAL FUC 0.5 0.970588
135 G2I 0.5 0.767442
136 FUC LAT 0.5 0.970588
137 G3I 0.5 0.767442
138 FUC BGC GAL NAG GAL 0.494382 0.717391
139 MAN MAN BMA MAN 0.493151 1
140 MAN MAN MAN MAN 0.493151 1
141 GAL FUC 0.492308 0.941176
142 AAO 0.488889 0.733333
143 GLC GLC DAF BGC 0.488889 0.733333
144 ACR GLC GLC GLC 0.488889 0.733333
145 ARE 0.488889 0.733333
146 GLC GLC ACI G6D GLC GLC 0.488889 0.733333
147 GLC GLC AGL HMC GLC 0.488889 0.733333
148 BGC BGC BGC XYS BGC XYS GAL 0.488372 0.942857
149 GAL BGC BGC BGC XYS BGC XYS 0.488372 0.942857
150 MAN BMA MAN MAN MAN 0.486486 1
151 M5S 0.486486 1
152 GLC GLC XYS 0.486486 0.970588
153 GLC GLC GLC G6D ADH GLC 0.483516 0.6875
154 BGC BGC BGC XYS BGC XYS XYS 0.481481 0.942857
155 BGC BGC XYS BGC XYS BGC XYS 0.481481 0.942857
156 GLC BGC BGC XYS BGC XYS XYS 0.481481 0.942857
157 BGC BGC G2F SHG 0.481013 0.846154
158 LAG 0.48 0.6
159 SOR GLC GLC GLC 0.48 0.970588
160 A2G GAL NAG FUC GAL GLC 0.479167 0.673469
161 GLC GAL NAG GAL FUC A2G 0.479167 0.673469
162 GAL GAL GLC EMB MEC 0.477778 0.622642
163 BMA MAN 0.476923 0.914286
164 GAL BGC BGC XYS 0.474359 0.942857
165 GLC GLC FRU 0.474359 0.868421
166 NLC 0.471429 0.733333
167 NDG GAL 0.471429 0.733333
168 GAL NDG 0.471429 0.733333
169 NAG NAG BMA MAN 0.471264 0.634615
170 GLC BGC BGC BGC XYS BGC XYS XYS 0.470588 0.916667
171 MAN MAN MAN BMA MAN 0.468354 1
172 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.466667 0.942857
173 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.466667 0.942857
174 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.466667 0.942857
175 GLC BGC BGC XYS BGC XYS XYS GAL 0.466667 0.942857
176 GAL BGC BGC BGC XYS XYS 0.466667 0.942857
177 GLC G6D ADH GLC 0.465116 0.785714
178 GLC G6D ACI GLC 0.465116 0.785714
179 GLC ACI G6D BGC 0.465116 0.785714
180 GLC ACI GLD GLC 0.465116 0.785714
181 TXT 0.464286 0.767442
182 ACI GLD GLC GAL 0.464286 0.785714
183 DAF BGC GLC 0.464286 0.785714
184 DAF GLC GLC 0.464286 0.785714
185 GAC 0.464286 0.767442
186 MVP 0.463768 0.733333
187 DEL 0.462687 0.970588
188 NAG GAL NAG 0.4625 0.6875
189 GLO GLC GLC GLC 0.4625 0.942857
190 NAG BMA MAN MAN MAN MAN 0.45977 0.733333
191 DMU 0.459459 0.785714
192 UMQ 0.459459 0.785714
193 LMU 0.459459 0.785714
194 LMT 0.459459 0.785714
195 GAL BGC NAG GAL 0.45679 0.733333
196 MAN MAN BMA 0.455882 1
197 RCB 0.455696 0.622642
198 SOR GLC GLC 0.453333 0.970588
199 4MU MAN MAN 0.452381 0.767442
200 BGC BGC ZZ1 0.452381 0.767442
201 GLC GLC GLC GLC 0.452055 1
202 FUC BGC GAL 0.452055 0.970588
203 GLC AGL GLC HMC 0.450549 0.717391
204 GLC GLC GLC PO4 SGC GLC 0.449438 0.673469
205 ACR 0.448276 0.733333
206 QPS 0.448276 0.733333
207 4MU BGC BGC BGC BGC 0.447059 0.767442
208 GLA MAN RAM ABE GLA MAN RAM ABE 0.446809 0.868421
209 GLA MAN RAM TYV GLA MAN RAM TYV 0.446809 0.868421
210 TRE 0.446429 1
211 NAG NAG BMA MAN MAN 0.445652 0.6875
212 MAN MAN NAG MAN NAG 0.445652 0.6875
213 QV4 0.444444 0.733333
214 GLC ACI GLD GAL 0.444444 0.733333
215 GLC ACI G6D GLC 0.444444 0.733333
216 GAL NAG MAN 0.443038 0.733333
217 MAN NAG GAL 0.443038 0.733333
218 CGC 0.442857 0.941176
219 6UZ 0.441558 0.846154
220 GLA MBG 0.4375 0.942857
221 GLO GLC GLC 0.4375 0.942857
222 ACR GLC 0.436782 0.733333
223 ACR GLC GLC GLC GLC 0.436782 0.733333
224 4MU BGC BGC 0.435294 0.767442
225 MAN MMA MAN 0.432432 0.942857
226 MGL SGC GLC GLC 0.432099 0.868421
227 BGC BGC SGC MGL 0.432099 0.868421
228 NPJ 0.43038 0.622642
229 ACI G6D GLC ACI G6D BGC 0.428571 0.75
230 ACI GLD GLC ACI G6D BGC 0.428571 0.75
231 AC1 GLC AC1 BGC 0.428571 0.75
232 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.428571 0.75
233 DAF GLC DAF GLC GLC 0.428571 0.75
234 BGC GLC AC1 GLC GLC GLC AC1 0.428571 0.75
235 FUC BGC GAL NAG 0.426966 0.717391
236 OPM MAN MAN 0.425 0.804878
237 GLA MAN RAM RAM ABE MAN GLA 0.42 0.868421
238 NAG MAN GAL BMA NAG MAN NAG GAL 0.418367 0.673469
239 NAG MAN GAL BMA NDG MAN NAG GAL 0.418367 0.673469
240 MAN BMA NAG NAG MAN NAG GAL GAL 0.418367 0.673469
241 NAG MAN MAN MAN NAG GAL NAG GAL 0.418367 0.673469
242 10M 0.417722 0.733333
243 GTM BGC BGC 0.417722 0.868421
244 A2G GAL BGC FUC 0.417582 0.717391
245 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.416667 0.733333
246 SIA GAL NAG GAL GLC 0.415929 0.622642
247 BGC GAL NAG SIA GAL 0.415929 0.622642
248 SIA GAL NAG GAL BGC 0.415929 0.622642
249 CM5 0.414634 0.891892
250 DOM 0.411765 0.942857
251 GAL A2G 0.410959 0.733333
252 8VZ 0.410959 0.673469
253 GAL NGA 0.410959 0.733333
254 A2G GAL 0.410959 0.733333
255 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.410526 0.680851
256 MA4 0.409639 0.891892
257 FMO 0.408451 0.868421
258 NOJ GLC 0.408451 0.727273
259 TM6 0.407407 0.916667
260 BGC SGC BGC SGC BGC SGC BGC SGC 0.407407 0.916667
261 BMA NGT MAN MAN 0.406593 0.66
262 ACG 0.40625 0.695652
263 LSE 0.405063 0.6875
264 DAF BGC 0.404762 0.785714
265 DAF GLC 0.404762 0.785714
266 7SA 0.402062 0.702128
267 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.4 0.6875
268 5QP 0.4 0.885714
269 MAN MAN MAN BMA MAN MAN MAN 0.4 0.942857
270 FUC GAL GLA 0.4 0.970588
271 NAG MAN GAL MAN MAN NAG GAL 0.4 0.6875
272 FUC GLA GLA 0.4 0.970588
273 GAL GAL FUC 0.4 0.970588
274 GLA GAL FUC 0.4 0.970588
275 GLA GLA FUC 0.4 0.970588
276 NOY BGC 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U0A; Ligand: BGC BGC BGC BGC; Similar sites found: 114
This union binding pocket(no: 1) in the query (biounit: 1u0a.bio5) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1N5S ADL 0.001233 0.43665 None
2 1P0Z FLC 0.01053 0.41745 None
3 4Y24 TD2 0.0002209 0.45151 1.2987
4 1W6P NDG GAL 0.00007474 0.50227 1.49254
5 1M5W DXP 0.008482 0.42058 1.86916
6 1Y7P RIP 0.008938 0.41863 1.86916
7 5F3I 5UJ 0.007114 0.41389 1.86916
8 2XUA SHF 0.01104 0.42066 2.33645
9 2D6M LBT 0.00001998 0.53374 2.51572
10 2QX0 PH2 0.005073 0.44127 2.51572
11 3W9R A8S 0.0108 0.40229 2.6455
12 1OJJ GLC GAL 0.00003049 0.53531 2.80374
13 1OJK GLC BGC 0.00002903 0.47245 2.80374
14 4HAP CBI 0.0133 0.40623 2.80374
15 3FW4 CAQ 0.008294 0.41388 2.80899
16 1QY1 PRZ 0.0005972 0.42212 2.87356
17 4ZSI GLP 0.001612 0.4315 2.92398
18 4ZSI 4R1 0.007103 0.40293 2.92398
19 5JSP DQY 0.0003791 0.41211 2.98507
20 2CDO GAL AAL GAL AAL GAL AAL 0.004839 0.41642 3.125
21 2WT2 GAL NAG GAL NAG GAL NAG 0.002185 0.43913 3.27103
22 4JE5 PLP 0.01449 0.40023 3.27103
23 2Z77 HE7 0.002957 0.43142 3.59712
24 3NV3 GAL NAG MAN 0.00004305 0.40284 3.62319
25 1J3R 6PG 0.006116 0.41815 3.68421
26 3KFF XBT 0.001023 0.46676 3.7037
27 3KFF ZBT 0.001023 0.46676 3.7037
28 5IXH OTP 0.009259 0.42906 3.72671
29 3OYW TDG 0.0001751 0.50524 3.73134
30 5MBC FMN 0.002426 0.42363 3.73832
31 5MOB A8S 0.005585 0.42003 3.73832
32 1ODM ASV 0.007273 0.41502 3.73832
33 1GT4 UNA 0.0003373 0.46158 3.77358
34 1ERB ETR 0.01151 0.40866 3.82514
35 5OO5 UUA 0.0005106 0.45361 4.03226
36 1Y0G 8PP 0.01486 0.41896 4.18848
37 4U0W 16G 0.001139 0.42965 4.20561
38 1YIQ PQQ 0.00913 0.40562 4.20561
39 2A1L PCW 0.03103 0.40403 4.20561
40 5AB1 BCD TA5 HP6 MAN 0.01799 0.40297 4.20561
41 4B7P 9UN 0.03582 0.40255 4.20561
42 1MFD GLA MMA ABE 0.009181 0.40167 4.20561
43 3MHA Z69 0.01017 0.41118 4.4335
44 2YMZ LAT 0.000137 0.45635 4.61538
45 4FHD EEM 0.01451 0.40907 4.6729
46 4FHD 0TT 0.01451 0.40907 4.6729
47 1SNN 5RP 0.01063 0.4026 4.6729
48 5J75 6GQ 0.007845 0.40101 4.6729
49 4MNS 2AX 0.005619 0.44426 5.03145
50 3PGU OLA 0.002904 0.43358 5.14019
51 4S00 AKR 0.01159 0.4053 5.14019
52 5H9Q TD2 0.00005755 0.50415 5.16129
53 2YKL NLD 0.004241 0.40194 5.18868
54 1A78 TDG 0.0003263 0.49206 5.22388
55 4YLZ LAT NAG GAL 0.000259 0.4211 5.22876
56 3N0Y APC 0.002716 0.43311 5.58659
57 2PFY PCA 0.006848 0.43045 5.60748
58 2VFT SOR 0.004874 0.42286 5.60748
59 3RGA LSB 0.002604 0.42227 5.60748
60 3JU6 ANP 0.00795 0.422 5.60748
61 4HWT 1B2 0.009054 0.40219 5.60748
62 3WG3 A2G GAL NAG FUC 0.001481 0.41346 5.61798
63 1QKQ MAN 0.0001819 0.5174 5.6338
64 1H4H XYP XYS XYP 0.007794 0.40114 5.74163
65 3MTX PGT 0.02162 0.4008 5.96026
66 2OVW CBI 0.000007441 0.57407 6.07477
67 1ZB6 DIN 0.002277 0.443 6.07477
68 1ZB6 GST 0.01176 0.41091 6.07477
69 5TO8 7FM 0.02207 0.40677 6.07477
70 5W0N UPU 0.02035 0.40138 6.07477
71 2GJ5 VD3 0.0184 0.40962 6.17284
72 4WVW SLT 0.00006672 0.51709 6.25
73 3WV6 GAL BGC 0.00007752 0.49012 6.54206
74 3WV6 GAL GLC 0.0002992 0.45562 6.54206
75 2BYC FMN 0.009557 0.40477 6.56934
76 3NV6 CAM 0.004587 0.4178 6.63717
77 5FUI APY 0.009971 0.42656 6.81818
78 1URX AAL GAL AAL GLA 0.001446 0.4271 7.47664
79 4XMF HSM 0.005245 0.43988 7.6087
80 4Q0L V14 0.01448 0.40117 7.94393
81 3ZXE PGZ 0.0001001 0.43194 8.27068
82 5IXG OTP 0.003429 0.45308 8.28402
83 1LN1 DLP 0.00358 0.4392 8.8785
84 5GLT BGC GAL NAG GAL 0.00005867 0.4093 8.8785
85 5U98 1KX 0.01218 0.43435 9.09091
86 1NSZ GLC 0.01593 0.40237 9.34579
87 2ZHL NAG GAL GAL NAG 0.005912 0.41448 9.45946
88 4FFG 0U8 0.00226 0.45404 9.81308
89 4FFG LBS 0.003756 0.40435 9.81308
90 3VV1 GAL FUC 0.00006159 0.51856 10.2804
91 3WUD GLC GAL 0.008128 0.40236 10.2941
92 4PSB GA3 0.01887 0.40591 10.3226
93 5NFB 8VT 0.0003165 0.40548 10.7955
94 4GNC ASO 0.01415 0.40886 11.215
95 4K55 H6P 0.0007895 0.47494 11.2903
96 1VJ7 GDP 0.01453 0.41057 11.6822
97 1WW5 SGA BGC 0.0003123 0.42281 11.875
98 5H9P TD2 0.0002151 0.43952 12.0253
99 4ZZW CBI 0.01267 0.41641 12.1495
100 5DG2 GAL GLC 0.0000465 0.4979 12.5926
101 1PNF NDG NAG 0.005512 0.43272 12.6168
102 4H6B 10Y 0.001206 0.41976 13.3333
103 4H6B 10X 0.001686 0.41954 13.3333
104 5ML3 DL3 0.00856 0.42571 13.4228
105 5J8O 6GZ 0.005296 0.40859 13.7097
106 3L9R L9R 0.01196 0.41868 16.3265
107 5T7I LAT NAG GAL 0.0001814 0.50738 16.7742
108 4B1L FRU 0.01718 0.40789 18.7879
109 1DZK PRZ 0.003801 0.41498 21.6561
110 3B00 16A 0.000159 0.49366 24.7664
111 4H2V AMP 0.001354 0.40903 28.1818
112 3G08 FEE 0.01048 0.43477 30.303
113 3SCM LGN 0.02665 0.41499 30.303
114 4BPZ GLC BGC BGC 0.0001301 0.50452 38.785
Pocket No.: 2; Query (leader) PDB : 1U0A; Ligand: BGC BGC BGC BGC; Similar sites found: 15
This union binding pocket(no: 2) in the query (biounit: 1u0a.bio5) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2JIG PD2 0.01732 0.40058 2.33645
2 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.004354 0.40134 2.65487
3 1QM5 GLC GLC GLC PO4 SGC GLC 0.01098 0.41832 3.27103
4 3FW9 SLX 0.001635 0.41605 3.27103
5 1QM5 PLP 0.02468 0.41064 3.27103
6 5GZK BGC 0.007212 0.40205 3.73832
7 3Q8G PEE 0.04758 0.40145 3.73832
8 2VEG PMM 0.01343 0.40602 4.20561
9 2XMY CDK 0.02301 0.42284 4.6729
10 4OPC FDA 0.04454 0.42196 4.6729
11 4OPC PGT 0.04984 0.42196 4.6729
12 2DIO EOD 0.005332 0.40382 5.85106
13 1DMY AZM 0.01729 0.40062 6.54206
14 5C5T AKG 0.01708 0.40088 11.215
15 5E89 TD2 0.006265 0.40535 13.6691
Pocket No.: 3; Query (leader) PDB : 1U0A; Ligand: BGC BGC BGC BGC; Similar sites found: 3
This union binding pocket(no: 3) in the query (biounit: 1u0a.bio5) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4N7C AEF 0.01555 0.40933 1.70455
2 3B4Y FLC 0.004723 0.43842 4.21348
3 5M90 JIF 0.01948 0.40148 6.54206
Pocket No.: 4; Query (leader) PDB : 1U0A; Ligand: BGC BGC BGC BGC; Similar sites found: 4
This union binding pocket(no: 4) in the query (biounit: 1u0a.bio5) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SDW IYT 0.01196 0.40022 2.33645
2 2R5A MLZ 0.009253 0.42353 3.39623
3 4XOE KGM 0.01749 0.40577 4.20561
4 4EUO ABU 0.007503 0.40348 4.20561
Feedback