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Receptor
PDB id Resolution Class Description Source Keywords
4B1M 1.1 Å EC: 3.2.1.80 CARBOHYDRATE BINDING MODULE CBM66 FROM BACILLUS SUBTILIS BACILLUS SUBTILIS HYDROLASE CBM66
Ref.: HOW NATURE CAN EXPLOIT NONSPECIFIC CATALYTIC AND CARBOHYDRATE BINDING MODULES TO CREATE ENZYMATIC SPECIFICITY PROC.NATL.ACAD.SCI.USA V. 109 20889 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FRU FRU A:1678;
B:1678;
C:1678;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
342.297 n/a O(CC1...
NA A:1680;
A:1681;
B:1680;
C:1680;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
SO4 B:1681;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4B1M 1.1 Å EC: 3.2.1.80 CARBOHYDRATE BINDING MODULE CBM66 FROM BACILLUS SUBTILIS BACILLUS SUBTILIS HYDROLASE CBM66
Ref.: HOW NATURE CAN EXPLOIT NONSPECIFIC CATALYTIC AND CARBOHYDRATE BINDING MODULES TO CREATE ENZYMATIC SPECIFICITY PROC.NATL.ACAD.SCI.USA V. 109 20889 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4B1M - FRU FRU 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 2 families.
1 4B1L Kd ~ 10 mM FRU C6 H12 O6 C([C@@H]1[....
2 4B1M - FRU FRU n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4B1L Kd ~ 10 mM FRU C6 H12 O6 C([C@@H]1[....
2 4B1M - FRU FRU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FRU FRU; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU FRU 1 1
2 LBS 1 1
3 0UB 0.934783 1
4 SF6 0.511111 0.888889
5 FRU 0.511111 0.888889
6 SF9 0.511111 0.888889
7 PSV 0.511111 0.888889
8 LFR 0.511111 0.888889
9 TA6 0.490566 0.755556
10 F6P 0.490566 0.755556
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4B1M; Ligand: FRU FRU; Similar sites found with APoc: 306
This union binding pocket(no: 1) in the query (biounit: 4b1m.bio3) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 6CQF F97 None
2 2X34 UQ8 None
3 2Z77 HE7 None
4 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
5 1WBI BTN None
6 1EWJ BLM None
7 2UX9 FMN None
8 6F7X MFU None
9 6HDT BTN None
10 4WVW SLT None
11 2QX0 PH2 None
12 1EYE PMM 0.714286
13 2X32 OTP 1.08108
14 1TKK ALA GLU 1.62162
15 6BYM HC3 1.62162
16 5F3I 5UJ 1.62162
17 2DIO EOD 1.62162
18 1G16 GDP 1.76471
19 1ZB6 GST 2.16216
20 5UR6 8KM 2.16216
21 5G1X ADP 2.16216
22 2XN5 FUN 2.16216
23 5LXM ADP 2.16216
24 4C2V YJA 2.16216
25 4C2W ANP 2.16216
26 4FC7 NAP 2.16216
27 4FC7 COA 2.16216
28 1ZB6 DIN 2.16216
29 4IDT T28 2.16216
30 5YXC CIT 2.16216
31 4C1K PEP 2.16216
32 5HZX 2GE 2.27273
33 5L8L ADP 2.5641
34 5H9Q TD2 2.58065
35 1N5S ADL 2.67857
36 3OJI PYV 2.7027
37 1OLM VTQ 2.7027
38 5X9D 80F 2.7027
39 1RKD ADP 2.7027
40 1RKD RIB 2.7027
41 2FNU PMP UD1 2.7027
42 3IHG FAD 2.7027
43 3C2O NTM 2.7027
44 2Y5S 78H 2.7027
45 4H6B 10X 2.7027
46 1TV5 FMN 2.7027
47 3WG3 A2G GAL NAG FUC 2.80899
48 4ZSI GLP 2.92398
49 5IXG OTP 2.95858
50 1KQW RTL 2.98507
51 3M3E GAL A2G NPO 3.10559
52 1WW5 SGA BGC 3.125
53 1LFO OLA 3.125
54 4BJ8 BTN 3.1746
55 2QM9 TDZ 3.22581
56 5ZFJ 9BF 3.24324
57 4U44 3D9 3.24324
58 6F5U CQN 3.24324
59 2FN1 SAL 3.24324
60 5Z54 0HZ 3.24324
61 3MI3 LYS 3.24324
62 4OH4 ANP 3.24324
63 3PLS ANP 3.24324
64 5FP3 3JI 3.24324
65 2WT2 GAL NAG GAL NAG GAL NAG 3.24324
66 3NZ1 3NY 3.24324
67 5YVK 0HZ 3.24324
68 2HFN FMN 3.26797
69 1CEB AMH 3.40909
70 4JNJ BTN 3.47826
71 2ARC ARA 3.65854
72 3GZ8 APR 3.7037
73 5IXH OTP 3.72671
74 3SAO NKN 3.75
75 2IGA XX3 3.78378
76 2IFW ACE PHE LYS PHE PSA LEU AAR 3.78378
77 2JIG PD2 3.78378
78 1JJE BYS 3.78378
79 3OVR 5SP 3.78378
80 5UQD AKG 3.78378
81 4HMT NNV 3.78378
82 4HMT FMN 3.78378
83 5F33 PGH 3.78378
84 2YAB AMP 3.78378
85 1H8S AIC 3.78378
86 1E1O LYS 3.78378
87 2VPQ ANP 3.78378
88 1QIN GIP 3.82514
89 3MHA Z69 3.94089
90 5K2M ADP 4.32432
91 1L8N GCW 4.32432
92 4GC1 MAN MAN 4.32432
93 4WW7 AMP 4.32432
94 6EXF LYS 4.32432
95 3OYZ ACO 4.32432
96 4I9A NCN 4.32432
97 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 4.32432
98 4WNP 3RJ 4.32432
99 5C1P ADP 4.32432
100 5MR6 FAD 4.32432
101 4WN5 MVC 4.34783
102 5LJB RTL 4.44444
103 6BU0 IHP 4.58015
104 5D48 L96 4.60526
105 1ULE GLA GAL NAG 4.66667
106 4BCS BTN 4.8
107 1ZHX HC3 4.86486
108 5FKP 6UL 4.86486
109 4LED XXR 4.86486
110 7CPA FVF 4.86486
111 2A1L PCW 4.86486
112 4UAC ACR 4.86486
113 5LI9 ACP 4.86486
114 3T2W BTN 4.91803
115 1GT4 UNA 5.03145
116 4AZP A9M 5.07246
117 2NNQ T4B 5.34351
118 3RUG DB6 5.40541
119 3QUZ QUV 5.40541
120 3G08 FEE 5.40541
121 4U0W 16G 5.40541
122 4L80 1VU 5.40541
123 5ZMY TAR 5.40541
124 6AM8 PLT 5.40541
125 4CSD MFU 5.40541
126 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 5.40541
127 6CUZ FEV 5.40541
128 1GY8 UDP 5.40541
129 1GQG DCD 5.40541
130 5ODT ADP 5.40541
131 4F7E 0SH 5.40541
132 3FYS PLM 5.40541
133 3GNE FLC 5.40541
134 5BU3 4W9 5.43478
135 1KDK DHT 5.64972
136 4MNS 2AX 5.66038
137 4J25 OGA 5.67686
138 5TVM PUT 5.88235
139 5HZ9 5M8 5.92593
140 4BVM VCA 5.94595
141 5I0U DCY 5.94595
142 4BVM PLM 5.94595
143 4D4U FUC GAL NAG 5.94595
144 4D52 GIV 5.94595
145 4D52 GXL 5.94595
146 4RFM 3P6 5.94595
147 1RZM PEP 5.94595
148 3AGC RCC 5.94595
149 4D4U FUC GAL 5.94595
150 3B2Q ATP 5.94595
151 5Z0A NAG 5.94595
152 2A9G ARG 5.94595
153 5TBM 79A 5.98291
154 4GGZ BTN 6.08696
155 2R0H CTO 6.09756
156 2GJ5 VD3 6.17284
157 1WUB OTP 6.17978
158 1YKD CMP 6.28141
159 1QY1 PRZ 6.32184
160 1Y52 BTN 6.34921
161 5JNN 6LM 6.48649
162 5BRP PNG 6.48649
163 1SJD NPG 6.48649
164 4XDA RIB 6.48649
165 4XDA ADP 6.48649
166 1A27 EST 6.48649
167 4O67 1SY 6.48649
168 3TFC PEP 6.48649
169 3FW4 CAQ 6.74157
170 1ZC3 GNP 6.85714
171 1Y0G 8PP 7.02703
172 1EWF PC1 7.02703
173 5K21 6QF 7.02703
174 4LIT AKG 7.02703
175 1CX4 CMP 7.02703
176 5FBN 5WF 7.02703
177 1ZM1 BGC BGC BGC 7.02703
178 2ZYI STE 7.02703
179 1QXW M1C 7.02703
180 6A1G 9OL 7.02703
181 2OGA PGU 7.26817
182 2AGC DAO 7.40741
183 4OPC PGT 7.56757
184 4D5B ACX 7.56757
185 2BKL ZAH 7.56757
186 4XF6 ADP 7.56757
187 4XF6 LIP 7.56757
188 4XF6 INS 7.56757
189 3F4F UMP 7.56757
190 5BVE 4VG 7.56757
191 4QTB 38Z 7.56757
192 1ERB ETR 7.56757
193 1OFZ FUC 7.56757
194 1OFZ FUL 7.56757
195 3B1Q NOS 7.56757
196 4K3H 1OM 7.62712
197 3RGA LSB 7.77385
198 3RGA ILD 7.77385
199 3I8T LBT 7.92683
200 2E3N 6CM 8.10811
201 3NW7 LGV 8.10811
202 2AGD UDH 8.10811
203 5YLT C7N 8.10811
204 1SQI 869 8.10811
205 3DR4 G4M 8.10811
206 2QIE 8CS 8.10811
207 3TNF GNP 8.10811
208 5UWA 8ND 8.10811
209 5HA0 LTD 8.33333
210 4KVG GTP 8.33333
211 1FDQ HXA 8.39695
212 5D2H AKG 8.48057
213 2ZSC BTN 8.51064
214 5J75 6GQ 8.64865
215 5VC5 96M 8.64865
216 2GC0 PAN 8.64865
217 3VHH VHH 8.94309
218 5HZ5 65X 8.95522
219 5T7I LAT NAG GAL 9.03226
220 5L9V OGA 9.12698
221 5TPV TYD 9.15033
222 4RFR RHN 9.18919
223 1MEX RAC 9.72973
224 4IGH FMN 9.72973
225 4IGH 1EA 9.72973
226 4IGH ORO 9.72973
227 1VPV PLM 9.72973
228 1PN0 FAD 9.72973
229 1PN0 IPH 9.72973
230 2Z93 END 9.72973
231 1MH5 HAL 9.72973
232 1NC4 DOF 9.72973
233 1MGP PLM 9.72973
234 1MJJ HAL 9.72973
235 4QYN RTL 9.77444
236 1X0P FAD 9.79021
237 5U9J GER 10.0592
238 3BC1 GNP 10.1695
239 4B2Z P5S 10.2703
240 5L9B AKG 10.3175
241 5L9Z GUX 10.3896
242 1OPB RET 10.4478
243 3HUJ AGH 10.8108
244 4WO4 JLS 10.8108
245 2YG2 S1P 11.0465
246 2YG2 FLC 11.0465
247 2EFE GNH 11.0497
248 2C1Q BTN 11.1111
249 4Z28 BTN 11.194
250 5NBP BGC BGC BGC 11.3514
251 4FFG LBS 11.3514
252 3IAL PR8 11.3514
253 3DLS ADP 11.3514
254 1V1A KDG 12.4324
255 5K8B PDG 12.4324
256 6E08 NAP 12.4324
257 4XQA 423 12.973
258 1VG0 GDP 12.973
259 3UXL CFI 12.973
260 1VG9 GDP 12.973
261 1VG8 GNP 12.973
262 2BS5 BGC GAL FUC 13.3333
263 3EW2 BTN 13.3333
264 1URX AAL GAL AAL GLA 13.5135
265 1AUX AGS 13.5135
266 5T2U NAP 13.5135
267 6CLV 6MB 14.0541
268 1VA6 P2S 14.0541
269 1VA6 ADP 14.0541
270 2JLD AG1 14.0541
271 3HZL 6PC 14.0541
272 3WV6 GAL GLC 14.5946
273 3TDV GDP 14.5946
274 2HKA C3S 14.6154
275 2UZ2 BTN 14.6154
276 2WPU KYT 15.0943
277 4EKV BTN 15.0943
278 1REQ DCA 15.1351
279 4RGA 3PV 15.1351
280 3A6T 8OG 15.5039
281 3ZW2 GAL FUC 16.092
282 3ZW2 NAG GAL FUC 16.092
283 3ZW0 FUC 16.092
284 1EGD FAD 16.2162
285 1U0A BGC BGC BGC BGC 16.7568
286 4BX7 B4F 18.0451
287 1OGX EQU 18.3206
288 4EWH T77 18.3784
289 2F01 BTN 18.8976
290 2F01 BTQ 18.8976
291 2PVN P63 18.9189
292 6CZI 38E 19.6429
293 1KJ1 MAN 21.1009
294 5NLD LBT 21.5827
295 4R3U 3HC 21.6216
296 3KDJ A8S 21.6216
297 3RDO BTN 22.2222
298 5EO8 TFU 23.2432
299 4WVO 3UZ 24.3243
300 4LA7 A1O 24.3243
301 5MN0 A8S 24.3243
302 3JRS A8S 26.4423
303 5GLT BGC GAL NAG GAL 28.1081
304 3PVW QRX 28.3784
305 5H9P TD2 30.3797
306 4OIT MAN 31.8584
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