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 O1C(O...
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 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 FRU; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU FRU 1 1
2 LBS 0.555556 1
3 0UB 0.526316 1
4 F1X 0.480769 0.755556
5 SF9 0.466667 0.888889
6 PSV 0.466667 0.888889
7 FRU 0.466667 0.888889
8 SF6 0.466667 0.888889
9 LFR 0.466667 0.888889
10 DQR 0.453125 0.921053
11 FNY 0.42029 0.921053
12 NYT 0.42029 0.921053
13 GLC FRU FRU 0.402985 0.921053
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4B1M; Ligand: FRU FRU; Similar sites found: 39
This union binding pocket(no: 1) in the query (biounit: 4b1m.bio3) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WVW SLT 0.002474 0.44069 None
2 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.002764 0.42514 None
3 2QX0 PH2 0.007735 0.40664 None
4 5H9Q TD2 0.00285 0.43716 2.58065
5 3M3E GAL A2G NPO 0.004808 0.42094 3.10559
6 1WW5 SGA BGC 0.004121 0.41199 3.125
7 3NZ1 3NY 0.006361 0.41377 3.24324
8 3GZ8 APR 0.01266 0.42016 3.7037
9 5UQD AKG 0.005745 0.41396 3.78378
10 4GC1 MAN MAN 0.000312 0.47523 4.32432
11 1ULE GLA GAL NAG 0.003095 0.43719 4.66667
12 4CSD MFU 0.006992 0.40309 5.40541
13 4J25 OGA 0.004668 0.40965 5.67686
14 5TVM PUT 0.01094 0.40378 5.88235
15 4D52 GIV 0.003533 0.42671 5.94595
16 5I0U DCY 0.0008661 0.41446 5.94595
17 3AGC RCC 0.02753 0.40957 5.94595
18 4D4U FUC GAL 0.005648 0.40938 5.94595
19 4D52 GXL 0.007935 0.40616 5.94595
20 5JNN 6LM 0.00555 0.44193 6.48649
21 5BRP PNG 0.006169 0.40588 6.48649
22 4LIT AKG 0.003746 0.41495 7.02703
23 1OFZ FUL 0.007185 0.41009 7.56757
24 1OFZ FUC 0.006922 0.403 7.56757
25 2Z93 END 0.01223 0.41381 9.72973
26 1NC4 DOF 0.009962 0.40171 9.72973
27 4QYN RTL 0.00263 0.45639 9.77444
28 1X0P FAD 0.009887 0.41599 9.79021
29 4FFG LBS 0.003299 0.40644 11.3514
30 3DLS ADP 0.01583 0.40339 11.3514
31 1VG0 GDP 0.0139 0.41155 12.973
32 1VG9 GDP 0.01708 0.40556 12.973
33 1URX AAL GAL AAL GLA 0.0006268 0.48055 13.5135
34 3HZL 6PC 0.001587 0.43565 14.0541
35 3WV6 GAL GLC 0.01287 0.41714 14.5946
36 1REQ DCA 0.01103 0.44684 15.1351
37 3ZW2 GAL FUC 0.01391 0.40844 16.092
38 3ZW2 NAG GAL FUC 0.01679 0.40607 16.092
39 1KJ1 MAN 0.01015 0.40264 21.1009
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