Receptor
PDB id Resolution Class Description Source Keywords
4B1L 1.65 Å EC: 3.2.1.80 CARBOHYDRATE BINDING MODULE CBM66 FROM BACILLUS SUBTILIS BACILLUS SUBTILIS HYDROLASE LEVAN
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 A:1678;
Valid;
none;
Kd ~ 10 mM
180.156 C6 H12 O6 C([C@...
NA A:1679;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4B1L 1.65 Å EC: 3.2.1.80 CARBOHYDRATE BINDING MODULE CBM66 FROM BACILLUS SUBTILIS BACILLUS SUBTILIS HYDROLASE LEVAN
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 4B1L Kd ~ 10 mM FRU 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 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 2 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; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 LFR 1 1
2 SF6 1 1
3 FRU 1 1
4 SF9 1 1
5 PSV 1 1
6 F6P 0.564103 0.744186
7 TA6 0.564103 0.744186
8 LBS 0.511111 0.888889
9 F1X 0.487805 0.744186
10 LRH 0.484848 0.882353
11 0UB 0.479167 0.888889
12 FRU FRU 0.466667 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4B1L; Ligand: FRU; Similar sites found: 177
This union binding pocket(no: 1) in the query (biounit: 4b1l.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YJ0 FMN 0.009028 0.44791 None
2 4WVW SLT 0.002459 0.43764 None
3 2Z77 HE7 0.02184 0.41157 None
4 5CJ3 52G 0.03149 0.40462 None
5 2X32 OTP 0.04974 0.40306 None
6 1ZY5 ANP 0.01092 0.41793 1.81818
7 5LVP ATP 0.009655 0.4065 1.81818
8 4Y0X ADP 0.01564 0.40173 1.81818
9 4C2W ANP 0.00117 0.46645 2.42424
10 5G1X ADP 0.001711 0.46228 2.42424
11 5LXM ADP 0.001852 0.46158 2.42424
12 4C1K PEP 0.003539 0.43749 2.42424
13 5A6N U7E 0.008086 0.42839 2.42424
14 5HZX 2GE 0.007779 0.41492 2.42424
15 4N70 2HX 0.03925 0.40487 2.42424
16 1VJY 460 0.03304 0.40226 2.42424
17 5EYK 5U5 0.01581 0.40099 2.42424
18 4N1T 2GD 0.01801 0.41447 2.51572
19 5L8L ADP 0.001201 0.46598 2.5641
20 3OJI PYV 0.001333 0.46508 3.0303
21 5IXG OTP 0.004455 0.46224 3.0303
22 4ZSI GLP 0.004054 0.43808 3.0303
23 3C2O NTM 0.006013 0.43358 3.0303
24 3WG3 A2G GAL NAG FUC 0.003122 0.42619 3.0303
25 5MY8 RXZ 0.01491 0.42204 3.0303
26 5VCV 1N1 0.009513 0.42174 3.0303
27 1ZEM NAD 0.01717 0.42059 3.0303
28 5EYP LOC 0.01327 0.41829 3.0303
29 2F57 23D 0.007715 0.41687 3.0303
30 1MDC PLM 0.01599 0.41518 3.0303
31 1PHK ATP 0.01097 0.41123 3.0303
32 4YZN 4K5 0.01721 0.40792 3.0303
33 1UNH IXM 0.01682 0.40237 3.0303
34 3O0G 3O0 0.01767 0.40111 3.0303
35 3M3E GAL A2G NPO 0.004748 0.40891 3.10559
36 1WW5 SGA BGC 0.003981 0.41652 3.125
37 1GQG DCD 0.01478 0.40597 3.14286
38 4REI 3MV 0.003379 0.42216 3.31126
39 3NZ1 3NY 0.001015 0.45643 3.63636
40 3PLS ANP 0.002797 0.45433 3.63636
41 4U44 3D9 0.00425 0.43983 3.63636
42 3CY2 MB9 0.01031 0.4299 3.63636
43 4A4X JUP 0.008827 0.42593 3.63636
44 5BYZ 4WE 0.01474 0.42523 3.63636
45 5AX9 4KT 0.01121 0.42373 3.63636
46 3MI3 LYS 0.003695 0.42338 3.63636
47 3OFM 4B0 0.008365 0.41923 3.63636
48 2FFC U5P 0.01895 0.40708 3.63636
49 5CEO 50D 0.01699 0.40511 3.63636
50 3AVS OGA 0.02435 0.40215 3.63636
51 2HK5 1BM 0.01681 0.40197 3.63636
52 5IXH OTP 0.03126 0.41865 3.72671
53 3SAO NKN 0.0006154 0.47313 3.75
54 3G08 FEE 0.003663 0.48032 4.24242
55 2YAK OSV 0.01017 0.44125 4.24242
56 2IFW ACE PHE LYS PHE PSA LEU AAR 0.009358 0.43427 4.24242
57 2UVF AD0 0.008065 0.42572 4.24242
58 2YAB AMP 0.01074 0.41749 4.24242
59 3RI1 3RH 0.01517 0.41441 4.24242
60 4XV1 904 0.02569 0.41439 4.24242
61 5TVM PUT 0.006481 0.40245 4.24242
62 1YZQ GNP 0.02851 0.40176 4.24242
63 1OTH PAO 0.02037 0.40025 4.24242
64 5LJB RTL 0.008564 0.43741 4.44444
65 4WNP 3RJ 0.003381 0.43364 4.84848
66 3M2W L8I 0.00695 0.42569 4.84848
67 3H22 B53 0.006131 0.42282 4.84848
68 1YIQ PQQ 0.02013 0.40756 4.84848
69 5X8I SQZ 0.01825 0.4025 4.84848
70 2QUN FUD 0.02107 0.40098 4.84848
71 5ITV NAI 0.02966 0.40047 4.84848
72 4AZP A9M 0.001474 0.47399 5.07246
73 4XBT FLC 0.003598 0.43848 5.16129
74 4XBT 3ZQ 0.003769 0.43659 5.16129
75 3IS2 FAD 0.03165 0.40319 5.19481
76 5LPZ ADP 0.002834 0.44572 5.45455
77 5LXC 7AA 0.005196 0.43595 5.45455
78 5LPB ADP 0.003567 0.43236 5.45455
79 4YZC STU 0.01674 0.43131 5.45455
80 5C1P DAL DAL 0.01315 0.4151 5.45455
81 1J0D 5PA 0.01247 0.41384 5.45455
82 5LI1 ANP 0.02041 0.40822 5.45455
83 4UOZ GLA 0.01109 0.40401 5.45455
84 5U6C 7YS 0.0292 0.40032 5.45455
85 4MNS 2AX 0.02064 0.42002 5.66038
86 4K33 ACP 0.006907 0.42891 6.06061
87 5KO1 6UY 0.00659 0.42292 6.06061
88 4QDF 30Q 0.01385 0.42055 6.06061
89 3G5N PB2 0.04978 0.41737 6.06061
90 3BU5 ATP 0.008066 0.41606 6.06061
91 4B0T ADP 0.01593 0.41578 6.06061
92 4WZH FMN 0.02386 0.40745 6.06061
93 4QDC ASD 0.01967 0.40373 6.06061
94 5KBE IPH 0.01178 0.40089 6.06061
95 5L2J 70E 0.01182 0.44748 6.12245
96 5L2J 6UL 0.0113 0.44748 6.12245
97 5LRT ADP 0.001436 0.4815 6.66667
98 1QY1 PRZ 0.0007436 0.47263 6.66667
99 1WUB OTP 0.02972 0.42086 6.66667
100 4CLI 5P8 0.02964 0.41736 6.66667
101 4D52 GXL 0.006062 0.41728 6.66667
102 4H3P ANP 0.01341 0.41519 6.66667
103 4BCM T7Z 0.00795 0.41466 6.66667
104 4D4U FUC GAL 0.005282 0.41421 6.66667
105 3UIM ANP 0.01433 0.41182 6.66667
106 4D52 GIV 0.007856 0.41019 6.66667
107 1I06 TZL 0.008133 0.4084 6.66667
108 4PSB GA3 0.02489 0.4101 7.09677
109 5JNN 6LM 0.0009456 0.48277 7.27273
110 5BRP PNG 0.004287 0.42652 7.27273
111 1K3A ACP 0.006008 0.41748 7.27273
112 1J09 GLU 0.0102 0.41222 7.27273
113 4LIT AKG 0.001334 0.44852 7.87879
114 4EUU BX7 0.006454 0.43459 7.87879
115 4UHL VFV 0.02082 0.43056 7.87879
116 5FBN 5WF 0.02424 0.41375 7.87879
117 2B4G FMN 0.02167 0.41028 7.87879
118 2VEG PMM 0.008225 0.40937 7.87879
119 5CCM SAM 0.04413 0.40789 7.87879
120 3KRL KRL 0.01511 0.40652 7.87879
121 5UKL SIX 0.02513 0.40417 7.87879
122 4OAV PO4 PO4 A A A A PO4 0.03435 0.40082 7.87879
123 5HA0 LTD 0.004073 0.4429 8.33333
124 5BVB DOG 0.01285 0.41725 8.33333
125 5UOX 8GY 0.009031 0.42007 8.48485
126 2QK4 ATP 0.006835 0.41983 8.48485
127 1JJE BYS 0.009763 0.40609 8.48485
128 1OFZ FUC 0.007247 0.40222 8.48485
129 4BHN BH9 0.01659 0.40001 8.48485
130 4Z1D PEP 0.004183 0.41528 9.05797
131 4L2I NAD 0.0127 0.43484 9.09091
132 4L2I FAD 0.00916 0.43484 9.09091
133 2BMB PMM 0.0047 0.42622 9.09091
134 4X6F 3XU 0.04276 0.40681 9.09091
135 5TPV TYD 0.009598 0.40859 9.15033
136 5J75 6GQ 0.001419 0.44949 9.69697
137 1QPR PPC 0.00526 0.44712 9.69697
138 5VC5 96M 0.02317 0.41107 9.69697
139 1ZB6 GST 0.01657 0.40871 9.69697
140 1ZB6 DIN 0.01577 0.40871 9.69697
141 4ME6 ADP 0.001664 0.4057 9.69697
142 4DQL FAD 0.03971 0.40077 9.69697
143 4QYN RTL 0.01906 0.41203 9.77444
144 5AV7 MMA MAN NAG MAN NAG NAG 0.01929 0.41044 9.93377
145 1MEX RAC 0.000407 0.4715 10.303
146 3TYZ XHP 0.005335 0.44462 10.9091
147 3TYZ PAB 0.006032 0.44462 10.9091
148 5UIU 8CG 0.006947 0.43602 10.9091
149 2Z93 END 0.005864 0.41424 10.9091
150 4PVD NDP 0.01872 0.41042 10.9091
151 1JGL EST 0.01392 0.40584 10.9091
152 2WEL K88 0.002685 0.43738 11.5152
153 2V7O DRN 0.004993 0.4284 11.5152
154 2VN9 GVD 0.007754 0.41059 11.5152
155 2GJ3 FAD 0.03251 0.40193 11.6667
156 3DLS ADP 0.006324 0.42363 12.7273
157 4JR7 GNP 0.01022 0.4187 12.7273
158 5M67 NAD 0.03659 0.41568 12.7273
159 5M67 3D1 0.03714 0.41536 12.7273
160 5M67 ADE 0.03723 0.41473 12.7273
161 4O1P ANP 0.00901 0.41049 12.7273
162 5EFQ ADP 0.01565 0.40466 12.7273
163 5U98 1KX 0.04789 0.40401 13.3333
164 5D2H AKG 0.004204 0.43276 14.5455
165 4WB6 ATP 0.02517 0.40473 14.5455
166 3C0G 3AM 0.01411 0.40128 14.5455
167 1URX AAL GAL AAL GLA 0.0003916 0.49604 15.1515
168 5EKO N17 0.01038 0.41992 15.1515
169 4TWP AXI 0.01038 0.44828 15.7576
170 3OV6 MK0 0.02262 0.4057 15.7576
171 5EPO NAP 0.01794 0.40936 16.3636
172 1REQ DCA 0.01793 0.43023 16.9697
173 1U0A BGC BGC BGC BGC 0.01718 0.40789 18.7879
174 4YEE 4CQ 0.01214 0.40095 18.8889
175 4L3L 5FI 0.01504 0.42635 20
176 5VZ0 ADP 0.0082 0.40544 23.0303
177 3JRS A8S 0.003854 0.43796 25.9615
Feedback