Receptor
PDB id Resolution Class Description Source Keywords
1W9W 2.1 Å NON-ENZYME: BINDING STRUCTURE OF A BETA-1,3-GLUCAN BINDING CBM6 FROM BACILLUS HALODURANS IN COMPLEX WITH LAMINARIHEXAOSE BACILLUS HALODURANS CARBOHYDRATE-BINDING MODULE LECTIN BETA-GLUCAN CARBOHYDRATE BINDING GLYCOSIDE HYDROLASE
Ref.: FAMILY 6 CARBOHYDRATE BINDING MODULES RECOGNIZE THE NON-REDUCING END OF BETA-1,3-LINKED GLUCANS BY PRESENTING A UNIQUE LIGAND BINDING SURFACE J.BIOL.CHEM. V. 280 530 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC BGC GLC BGC BGC A:601;
Valid;
none;
Ka = 290000 M^-1
990.861 n/a O(C1C...
NA A:900;
A:901;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W9W 2.1 Å NON-ENZYME: BINDING STRUCTURE OF A BETA-1,3-GLUCAN BINDING CBM6 FROM BACILLUS HALODURANS IN COMPLEX WITH LAMINARIHEXAOSE BACILLUS HALODURANS CARBOHYDRATE-BINDING MODULE LECTIN BETA-GLUCAN CARBOHYDRATE BINDING GLYCOSIDE HYDROLASE
Ref.: FAMILY 6 CARBOHYDRATE BINDING MODULES RECOGNIZE THE NON-REDUCING END OF BETA-1,3-LINKED GLUCANS BY PRESENTING A UNIQUE LIGAND BINDING SURFACE J.BIOL.CHEM. V. 280 530 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1W9T - XYP XYP n/a n/a
2 1W9W Ka = 290000 M^-1 BGC BGC BGC GLC BGC BGC n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 1W9T - XYP XYP n/a n/a
2 1W9W Ka = 290000 M^-1 BGC BGC BGC GLC BGC BGC n/a n/a
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 2V4V Ka = 1700 M^-1 XYP C5 H10 O5 C1[C@H]([C....
2 1UYX - BGC BGC n/a n/a
3 1UZ0 - BGC BGC BGC BGC n/a n/a
4 1UYZ - XYP XYP XYP XYP n/a n/a
5 1UYY - BGC BGC BGC n/a n/a
6 1UY0 - BGC BGC BGC BGC n/a n/a
7 1W9W Ka = 290000 M^-1 BGC BGC BGC GLC BGC BGC n/a n/a
8 5FUI - APY C6 H8 N2 c1ccnc(c1)....
9 1UY2 - XYP XYP n/a n/a
10 1UXX - XYP XYP XYP XYP XYP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC BGC BGC GLC BGC BGC; Similar ligands found: 224
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC GLC BGC BGC 1 1
2 GLC BGC BGC BGC BGC BGC BGC 1 1
3 M3M 0.888889 1
4 MAN GLC 0.888889 1
5 NGR 0.888889 1
6 LB2 0.888889 1
7 P3M 0.754386 0.767442
8 GLA GAL GAL 0.709091 1
9 BMA MAN MAN MAN 0.696429 1
10 BGC BGC BGC BGC BGC BGC BGC BGC 0.689655 1
11 NAG GAL GAL NAG GAL 0.647059 0.6875
12 GAL MBG 0.641509 0.942857
13 M13 0.641509 0.942857
14 MDM 0.641509 0.942857
15 MAN BMA MAN 0.627119 1
16 MAN MAN MAN GLC 0.622951 1
17 MAN BMA MAN MAN MAN 0.619048 1
18 M5S 0.619048 1
19 GAL GAL SO4 0.606557 0.66
20 2M4 0.584906 1
21 BQZ 0.58 0.909091
22 CGC 0.576271 0.941176
23 GLA GAL NAG 0.575758 0.733333
24 MAN BMA NAG 0.575758 0.733333
25 LAT 0.545455 1
26 CBK 0.545455 1
27 BGC BMA 0.545455 1
28 GAL BGC 0.545455 1
29 MAL 0.545455 1
30 MAB 0.545455 1
31 CBI 0.545455 1
32 N9S 0.545455 1
33 B2G 0.545455 1
34 LBT 0.545455 1
35 GLA GAL 0.545455 1
36 GLC GAL 0.545455 1
37 GLA GLA 0.545455 1
38 BMA GAL 0.545455 1
39 BGC GAL 0.545455 1
40 BMA BMA BMA BMA BMA 0.534483 1
41 CEY 0.534483 1
42 BGC BGC BGC BGC BGC 0.534483 1
43 B4G 0.534483 1
44 GLC BGC BGC 0.534483 1
45 MLR 0.534483 1
46 BGC GLC GLC 0.534483 1
47 MAN MAN BMA BMA BMA BMA 0.534483 1
48 GLC BGC BGC BGC BGC 0.534483 1
49 GLC GLC BGC 0.534483 1
50 CTT 0.534483 1
51 GLA GAL BGC 0.534483 1
52 BMA BMA BMA BMA BMA BMA 0.534483 1
53 MAN BMA BMA BMA BMA 0.534483 1
54 GLA GAL GLC 0.534483 1
55 CE5 0.534483 1
56 MT7 0.534483 1
57 BMA MAN BMA 0.534483 1
58 GAL GAL GAL 0.534483 1
59 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.534483 1
60 CE8 0.534483 1
61 BGC GLC GLC GLC GLC 0.534483 1
62 MAN BMA BMA 0.534483 1
63 GLC BGC GLC 0.534483 1
64 CE6 0.534483 1
65 DXI 0.534483 1
66 MAN BMA BMA BMA BMA BMA 0.534483 1
67 BGC BGC BGC BGC BGC BGC 0.534483 1
68 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.534483 1
69 BGC GLC GLC GLC 0.534483 1
70 CT3 0.534483 1
71 BGC BGC BGC BGC 0.534483 1
72 GLC BGC BGC BGC 0.534483 1
73 CEX 0.534483 1
74 GLC GAL GAL 0.534483 1
75 GLC BGC BGC BGC BGC BGC 0.534483 1
76 BGC BGC GLC 0.534483 1
77 BGC BGC BGC 0.534483 1
78 MTT 0.534483 1
79 BGC GLC GLC GLC GLC GLC GLC 0.534483 1
80 BGC BGC BGC GLC 0.534483 1
81 GLC GLC GLC GLC GLC 0.534483 1
82 BMA BMA BMA 0.534483 1
83 CTR 0.534483 1
84 MAN MAN BMA MAN 0.530303 1
85 MAN MAN MAN MAN 0.530303 1
86 BMA MAN MAN MAN MAN 0.521739 1
87 TRE 0.520833 1
88 GAL NAG GAL GLC 0.520548 0.733333
89 BGC GAL NAG GAL 0.520548 0.733333
90 BMA BMA 0.517241 0.914286
91 BGC BGC 0.517241 0.914286
92 NAG GAL 0.515625 0.733333
93 GAL NAG 0.515625 0.733333
94 GLA NAG GAL FUC 0.513158 0.717391
95 GAL NAG GAL FUC 0.513158 0.717391
96 GAL NGA GLA BGC GAL 0.513158 0.733333
97 GAL FUC 0.508475 0.941176
98 GLC GAL NAG GAL 0.506667 0.733333
99 LAT NAG GAL 0.506667 0.733333
100 LAT GLA 0.5 1
101 AAL GAL AAL GAL 0.493333 0.891892
102 GAL NAG GAL NAG GAL NAG 0.493333 0.673469
103 AAL GAL AAL GLA 0.493333 0.891892
104 NAG GAL GAL NAG 0.493333 0.6875
105 GAL AAL GAL AAL GAL AAL 0.493333 0.891892
106 BMA BMA MAN 0.491803 1
107 MAN MAN BMA 0.491803 1
108 GAL NGA A2G 0.485714 0.6875
109 FUC BGC GAL 0.484848 0.970588
110 MAN MMA MAN 0.484848 0.942857
111 A2G GAL 0.484375 0.733333
112 GAL A2G 0.484375 0.733333
113 GAL NGA 0.484375 0.733333
114 U63 0.483333 0.891892
115 NGA GLA GAL BGC 0.480519 0.733333
116 MAN MAN MAN BMA MAN 0.479452 1
117 GLA EGA 0.47541 0.942857
118 DR5 0.474576 0.942857
119 MMA MAN 0.474576 0.942857
120 GLA MBG 0.473684 0.942857
121 NAG GAL BGC 0.472973 0.733333
122 FUC BGC GAL NAG GAL 0.470588 0.717391
123 GLA GAL FUC 0.469697 0.970588
124 FUC GAL GLA 0.469697 0.970588
125 GLA GLA FUC 0.469697 0.970588
126 GAL GAL FUC 0.469697 0.970588
127 FUC GLA GLA 0.469697 0.970588
128 47N 0.46875 0.891892
129 AAL GAL 0.46875 0.891892
130 GAL NAG GAL BGC 0.468354 0.702128
131 MAN MAN MAN MAN MAN MAN MAN 0.467532 1
132 DOM 0.466667 0.942857
133 NAG NAG BMA MAN 0.463415 0.634615
134 NOY BGC 0.460317 0.702128
135 MAN MAN MAN MAN MAN MAN MAN MAN 0.452381 0.846154
136 OPM MAN MAN 0.452055 0.804878
137 NAG MAN BMA 0.452055 0.733333
138 5QP 0.451613 0.885714
139 FUC BGC GAL NAG 0.451219 0.717391
140 T6P 0.45 0.767442
141 RZM 0.45 0.688889
142 GLA MAN ABE 0.444444 0.916667
143 IFM BMA 0.444444 0.711111
144 9MR 0.444444 0.744186
145 BGC OXZ 0.444444 0.666667
146 IFM BGC 0.444444 0.711111
147 BMA IFM 0.444444 0.711111
148 MAL EDO 0.444444 0.942857
149 MAN 7D1 0.442623 0.888889
150 G2F BGC BGC BGC BGC BGC 0.441176 0.868421
151 GAL MGC 0.439394 0.702128
152 NLC 0.439394 0.733333
153 NDG GAL 0.439394 0.733333
154 GAL NDG 0.439394 0.733333
155 WZ3 0.438356 0.916667
156 NOJ GLC 0.4375 0.695652
157 FMO 0.4375 0.868421
158 GLC DMJ 0.4375 0.695652
159 MAN MNM 0.4375 0.702128
160 NAG GAL NAG 0.434211 0.6875
161 XYT 0.432836 0.767442
162 BMA BMA GLA BMA BMA 0.430556 1
163 FRU GAL 0.428571 0.842105
164 GLC GLC XYP 0.428571 1
165 BMA FRU 0.428571 0.842105
166 GLA MAN RAM RAM ABE MAN GLA 0.425532 0.868421
167 4MU MAN MAN 0.425 0.767442
168 BGC BGC ZZ1 0.425 0.767442
169 GDQ GLC 0.424242 0.666667
170 MAN G63 0.424242 0.653061
171 BGC GLA GAL FUC 0.421053 0.970588
172 NAG BMA 0.42029 0.653061
173 1GN ACY GAL ACY 1GN BGC GAL BGC 0.418605 0.6875
174 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.418605 0.6875
175 NAG BMA MAN MAN MAN MAN 0.418605 0.733333
176 GLA GAL BGC 5VQ 0.41791 0.891892
177 GLA GAL NAG FUC GAL GLC 0.417582 0.717391
178 FUC GAL NAG GAL FUC 0.416667 0.702128
179 GLC GLC GLC BGC 0.416667 1
180 NAG BMA MAN MAN MAN MAN MAN 0.4125 0.868421
181 BGC GLA 0.409836 1
182 MAN BMA 0.409836 1
183 KHO 0.409836 0.888889
184 GLC GLC 0.409836 1
185 GLC BGC 0.409836 1
186 BGC GLC 0.409836 1
187 GLA GLC 0.409836 1
188 GAL GLC 0.409836 1
189 GLA BGC 0.409836 1
190 MLB 0.409836 1
191 BMA MAN 0.409836 1
192 BMA GLA 0.409836 1
193 MAN MAN 0.409836 1
194 GAL GAL 0.409836 1
195 LAK 0.409836 1
196 GLA BMA 0.409836 1
197 FUC GAL NAG GAL BGC 0.409091 0.717391
198 MVP 0.409091 0.733333
199 ABL 0.409091 0.702128
200 GAL GLC NAG GAL FUC 0.409091 0.717391
201 GLC NAG GAL GAL FUC 0.409091 0.717391
202 OXZ BGC BGC 0.408451 0.6875
203 G3I 0.408451 0.767442
204 G2I 0.408451 0.767442
205 GLC 0.408163 0.848485
206 BMA 0.408163 0.848485
207 BGC 0.408163 0.848485
208 WOO 0.408163 0.848485
209 MAN 0.408163 0.848485
210 ALL 0.408163 0.848485
211 GIV 0.408163 0.848485
212 GAL 0.408163 0.848485
213 GLA 0.408163 0.848485
214 GXL 0.408163 0.848485
215 GAL BGC BGC XYS 0.407895 0.942857
216 MAN DGO 0.40625 0.914286
217 GLA MMA ABE 0.405405 0.868421
218 MAN MAN MAN BMA MAN MAN MAN 0.404762 0.942857
219 NAG NAG BMA MAN MAN 0.404494 0.6875
220 3MG 0.403846 0.857143
221 SOR GLC GLC 0.402778 0.970588
222 2M8 0.4 0.911765
223 GLA GAL GLC NBU 0.4 0.846154
224 ISX 0.4 0.761905
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W9W; Ligand: BGC BGC BGC GLC BGC BGC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1w9w.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback