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Receptor
PDB id Resolution Class Description Source Keywords
1I8A 1.9 Å EC: 3.2.1.8 FAMILY 9 CARBOHYDRATE-BINDING MODULE FROM THERMOTOGA MARITIMA XYLANASE 10A WITH GLUCOSE THERMOTOGA MARITIMA FAM9-2 CARBOHYDRATE BINDING MODULE GLUCOSE HYDROLASE
Ref.: CRYSTAL STRUCTURES OF THE FAMILY 9 CARBOHYDRATE-BINDING MODULE FROM THERMOTOGA MARITIMA XYLANASE 10A IN NATIVE AND LIGAND-BOUND FORMS. BIOCHEMISTRY V. 40 6248 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC A:189;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
CA A:190;
A:191;
A:192;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1I82 1.9 Å EC: 3.2.1.8 FAMILY 9 CARBOHYDRATE-BINDING MODULE FROM THERMOTOGA MARITIMA XYLANASE 10A WITH CELLOBIOSE THERMOTOGA MARITIMA CELLOBIOSE COMPLEX HYDROLASE
Ref.: CRYSTAL STRUCTURES OF THE FAMILY 9 CARBOHYDRATE-BINDING MODULE FROM THERMOTOGA MARITIMA XYLANASE 10A IN NATIVE AND LIGAND-BOUND FORMS. BIOCHEMISTRY V. 40 6248 2001
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 1I82 - BGC BGC n/a n/a
2 1I8A - BGC C6 H12 O6 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 1I82 - BGC BGC n/a n/a
2 1I8A - BGC C6 H12 O6 C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 1I82 - BGC BGC n/a n/a
2 1I8A - BGC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1I82; Ligand: BGC BGC; Similar sites found with APoc: 290
This union binding pocket(no: 1) in the query (biounit: 1i82.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1A78 TDG None
2 4IMO PWZ None
3 2BOS GLA GAL None
4 2BOS GLA GAL GLC None
5 5CLO NS8 None
6 2QM9 TDZ None
7 4MUV PCG None
8 5GLT BGC GAL NAG GAL 1.0582
9 4BG4 ADP 1.0582
10 3AMN CBI 1.5873
11 3AMN CBK 1.5873
12 3WW2 LPK 1.5873
13 4QDC ASD 1.5873
14 3WW2 SF6 1.5873
15 3AQV TAK 1.5873
16 3GM5 CIT 1.88679
17 5KF6 FAD 2.1164
18 5KF6 TFB 2.1164
19 1SDW IYT 2.1164
20 2Z93 END 2.1164
21 5W4W 9WG 2.1164
22 4Q0P 0MK 2.1164
23 5D48 L96 2.1164
24 4WZH FMN 2.1164
25 1XLI GLT 2.1164
26 3E2M E2M 2.16216
27 4YEF 4CQ 2.24719
28 4BVM VCA 2.25564
29 4ZSI 4R1 2.33918
30 2HRL SIA GAL SIA BGC NGA CEQ 2.3622
31 1TT8 PHB 2.43902
32 1SU2 ATP 2.51572
33 5T9C G3P 2.6455
34 2ABS ACP 2.6455
35 5JFS 6K0 2.6455
36 2BWA GLC BGC 2.6455
37 1MH5 HAL 2.6455
38 2IUW AKG 2.6455
39 5ISY NAD 2.6455
40 3GL0 HXX 2.6455
41 1GP6 QUE 2.6455
42 1GP6 DH2 2.6455
43 1GP6 SIN 2.6455
44 1UU6 BGC BGC BGC BGC 2.6455
45 4P25 FUC GAL NAG FUC 2.6455
46 4H6B 10X 2.6455
47 6C8T EQJ 2.6455
48 4WW8 VD9 2.6455
49 4H6B 10Y 2.6455
50 5I85 PC 2.6455
51 2GVJ DGB 2.6455
52 5FLJ QUE 2.68817
53 5BU3 4W9 2.71739
54 3N0Y APC 2.7933
55 2YG2 FLC 2.90698
56 5DG2 GAL GLC 2.96296
57 6F9G PUT 3.11526
58 2ET1 GLV 3.1746
59 5A5W GUO 3.1746
60 5Y72 DST 3.1746
61 3M3R BCD 3.1746
62 6GN6 MAL 3.1746
63 2Q0D ATP 3.1746
64 5Z46 8XL 3.1746
65 1Y7P RIP 3.1746
66 2TPS TPS 3.1746
67 5Z46 GST 3.1746
68 5HV0 AKG 3.1746
69 4A3U FMN 3.1746
70 5FXD H7Y 3.1746
71 4RYV ZEA 3.22581
72 2CM4 RCL 3.33333
73 5IDB BMA 3.52113
74 5ACM MBT 3.6036
75 1C1L GAL BGC 3.64964
76 4U03 GTP 3.7037
77 4U03 TLL 3.7037
78 5BVE 4VG 3.7037
79 1J3R 6PG 3.7037
80 6MPT C30 3.7037
81 4O9S 2RY 3.7037
82 2IFW ACE PHE LYS PHE PSA LEU AAR 3.7037
83 3ETH ATP 3.7037
84 3JRS A8S 3.7037
85 1IR3 ANP 3.7037
86 2ZMF CMP 3.7037
87 1YKD CMP 3.7037
88 1ZM1 BGC BGC BGC 3.7037
89 3NW7 LGV 3.7037
90 2ICY UPG 3.7037
91 5EH0 5NW 3.7037
92 1ZHX HC3 3.7037
93 1EWF PC1 3.7037
94 1U0A BGC BGC BGC BGC 3.7037
95 1ODM ASV 3.7037
96 5NW7 9C2 3.7037
97 1LNM DTX 3.80435
98 1OGX EQU 3.81679
99 1DZK PRZ 3.82166
100 2YMZ LAT 3.84615
101 5UR6 8KM 3.8674
102 3FW4 CAQ 3.93258
103 1WUB OTP 3.93258
104 3MTX PGT 3.97351
105 1IIU RTL 4.02299
106 4K55 H6P 4.03226
107 4ZU4 4TG 4.05405
108 3TD3 GLY 4.06504
109 1ZB6 GST 4.2328
110 1T27 PCW 4.2328
111 5JSP DQY 4.2328
112 1ZB6 DIN 4.2328
113 6ALW BNV 4.2328
114 6ALW BMJ 4.2328
115 2C49 ADN 4.2328
116 3KDJ A8S 4.2328
117 3OJI PYV 4.2328
118 2WQN ADP 4.2328
119 2IGA XX3 4.2328
120 5V2L ATP 4.2328
121 6CGD GNP 4.2328
122 3DER ALA LYS 4.2328
123 4XDA RIB 4.2328
124 4XDA ADP 4.2328
125 2WT2 GAL NAG GAL NAG GAL NAG 4.2328
126 3MHA Z69 4.2328
127 6GW1 CHO 4.2328
128 4B0T ADP 4.2328
129 2P8B NSK 4.2328
130 3M3E GAL A2G NPO 4.34783
131 1QIN GIP 4.37158
132 3SAO NKN 4.375
133 3WUD GLC GAL 4.41176
134 1KJ1 MAN 4.58716
135 5IXG OTP 4.73373
136 5DRB 5FJ 4.7619
137 4NW6 2NS 4.7619
138 1GQG DCD 4.7619
139 5W10 CMP 4.7619
140 1OLM VTQ 4.7619
141 2CSN CKI 4.7619
142 2RIO ADP 4.7619
143 2ZYI STE 4.7619
144 1SQI 869 4.7619
145 4D52 GXL 4.7619
146 3RGA LSB 4.7619
147 6GW4 CHO 4.7619
148 1ZZ7 S0H 4.7619
149 4D52 GIV 4.7619
150 3MPB FRU 4.7619
151 4PXD 1AL 4.7619
152 3SCH TB6 4.7619
153 1SJD NPG 4.7619
154 5EO8 TFU 4.7619
155 4MNS 2AX 5.03145
156 5HZ5 65X 5.22388
157 5NBW 8SK 5.29101
158 4OCT AKG 5.29101
159 5I0U DCY 5.29101
160 4NZN ANP 5.29101
161 4NZN 2OU 5.29101
162 3IU9 T07 5.29101
163 5XEG AKG 5.29101
164 6B0K G4S 9RN G4S 9RN G4S 5.29101
165 3OZ2 OZ2 5.29101
166 6B0K 9RN G4S 9RN G4S 5.29101
167 3S5Y DGJ 5.29101
168 5FPX GLY SER SER HIS HIS HIS HIS HIS 5.30973
169 3P7N FMN 5.42636
170 4WVW SLT 5.55556
171 4X6F 3XU 5.71429
172 3NV3 GAL NAG MAN 5.7971
173 2FB3 GTP 5.82011
174 1MEX RAC 5.82011
175 4YZC STU 5.82011
176 4BVA T3 5.82011
177 2R5V HHH 5.82011
178 3FW9 SLX 5.82011
179 6FOF LAT 5.82011
180 2OJW ADP 5.82011
181 5N87 N66 5.82011
182 4EWN 0VR 5.82011
183 1VYF OLA 5.92593
184 4K3H 1OM 5.9322
185 4HN1 TYD 5.97015
186 5WL1 D3D 6.06061
187 5WL1 CUY 6.06061
188 4WUJ FMN 6.12245
189 3ZXR P3S 6.34921
190 3ZXR IQ1 6.34921
191 4AVO BGC BGC BGC BGC BGC BGC 6.34921
192 1Q79 3AT 6.34921
193 5WS9 AMP 6.34921
194 2VFT SOR 6.34921
195 4FHD EEM 6.34921
196 4FHD 0TT 6.34921
197 5F2T PLM 6.34921
198 5H9Q TD2 6.45161
199 6CAY ERG 6.50888
200 3WUC GLC GAL 6.56934
201 1IS3 LAT 6.66667
202 6GNO XDI 6.66667
203 2GOO NDG 6.86275
204 5EOB 5QQ 6.87831
205 5L9G MO0 6.87831
206 5A65 TPP 7.40741
207 3HAZ FAD 7.40741
208 1UMZ BGC BGC XYS BGC XYS GAL 7.40741
209 2GJ5 VD3 7.40741
210 4KOT CE3 7.40741
211 6C7Y ADP 7.40741
212 5GM5 CBI 7.40741
213 1QY1 PRZ 7.47126
214 3ZXE PGZ 7.5188
215 5Y4R C2E 7.58621
216 2WA4 069 7.93651
217 1TIW FAD 7.93651
218 1TIW TFB 7.93651
219 4O8A FAD 7.93651
220 4EE7 PIS 7.93651
221 1TKK ALA GLU 7.93651
222 4RDL FUC GAL NDG FUC 7.93651
223 1ULE GLA GAL NAG 8
224 4PSB GA3 8.3871
225 4YGF AZM 8.46561
226 4LA7 A1O 8.46561
227 5JNN 6LM 8.46561
228 5GQX GLC GLC GLC GLC GLC GLC GLC 8.46561
229 1VA6 P2S 8.99471
230 1VA6 ADP 8.99471
231 1I7E IBS 8.99471
232 2HZQ STR 9.1954
233 5FU3 BGC BGC BGC 9.43396
234 3WV6 GAL BGC 9.52381
235 3LVW GSH 9.52381
236 4M1U A2G MBG 9.52381
237 4Y24 TD2 9.74026
238 4QYN RTL 9.77444
239 2RG0 CBI 10.0529
240 4D5B ACX 10.0529
241 2RG0 CTT 10.0529
242 1XIM XYL 10.0529
243 2D6M LBT 10.0629
244 1NWW HPN 10.0671
245 5HA0 LTD 10.2564
246 5DEY 59T 10.582
247 2XK9 XK9 10.582
248 4QMN DB8 10.582
249 5KD6 LBU 10.582
250 5KD6 6C7 10.582
251 5LIA 6XN 10.582
252 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 10.582
253 5O5Y GLC 10.582
254 5LVP ATP 10.582
255 3VPD ANP 11.1111
256 5FP3 3JI 11.1111
257 4NPL AKG 11.1111
258 2BS5 BGC GAL FUC 11.1111
259 3OYW TDG 11.194
260 1GZW GAL BGC 11.194
261 5LXT ACP 11.6402
262 6D61 4AA 11.6402
263 2BMR 3NT 11.6402
264 3VV1 GAL FUC 11.875
265 1OX5 1PR 12.1693
266 1N5S ADL 12.5
267 3B1Q NOS 12.6984
268 4KYS VIB 12.6984
269 4MA6 28E 12.7389
270 3WG3 A2G GAL NAG FUC 12.9213
271 2I6A 5I5 13.2275
272 4LH0 GLV 13.7566
273 3ATY FMN 13.7566
274 4QDF 30Q 14.2857
275 1ERB ETR 14.7541
276 1W6O LAT 14.9254
277 1W6P NDG GAL 14.9254
278 1SLT NDG GAL 15.6716
279 1FDQ HXA 16.0305
280 3MF2 AMP 16.4021
281 5H9P TD2 16.4557
282 5NFB 8VT 17.0455
283 5A61 3PO 17.9894
284 3FC2 IBI 17.9894
285 5ODY 9SK 18.8406
286 1BHX ASP PHE GLU GLU ILE 19.0476
287 6FUL E7Z 21.164
288 3AVR OGA 21.164
289 6BU0 IHP 22.9008
290 5VC5 96M 31.746
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