Receptor
PDB id Resolution Class Description Source Keywords
6KPN 2.1 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF ENDO-BETA-N-ACETYLGLUCOSAMINIDASE FROM MILITARIS D154N/E156Q MUTANT IN COMPLEX WITH FUCOSYL-N- A CETYLGLUCOSAMINE CORDYCEPS MILITARIS CM01 TIM BARREL HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE SPECIFIC CLEAVAGE OF CORE-FUCOSYLATEDN-GLYCANS BY ENDO-BETA-N-ACETYLGLUCOSAMINIDASE FROM THE FUNGUSCO MILITARIS. J.BIOL.CHEM. V. 294 17143 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG FUC B:1;
 Valid;
 none;
 submit data
367.351 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6KPM 1.8 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF ENDO-BETA-N-ACETYLGLUCOSAMINIDASE FROM MILITARIS IN COMPLEX WITH L-FUCOSE CORDYCEPS MILITARIS CM01 TIM BARREL HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE SPECIFIC CLEAVAGE OF CORE-FUCOSYLATEDN-GLYCANS BY ENDO-BETA-N-ACETYLGLUCOSAMINIDASE FROM THE FUNGUSCO MILITARIS. J.BIOL.CHEM. V. 294 17143 2019
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 6KPN - NAG FUC n/a n/a
2 6KPO - NAG ASN FUC n/a n/a
3 6KPM - FUC C6 H12 O5 C[C@H]1[C@....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 6KPN - NAG FUC n/a n/a
2 6KPO - NAG ASN FUC n/a n/a
3 6KPM - FUC C6 H12 O5 C[C@H]1[C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 6KPN - NAG FUC n/a n/a
2 6KPO - NAG ASN FUC n/a n/a
3 6KPM - FUC C6 H12 O5 C[C@H]1[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG FUC; Similar ligands found: 79
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG FUC 1 1
2 NAG GAL FUC 0.796875 0.978261
3 A2G GAL 0.728814 0.956522
4 NAG BDP 0.661538 0.916667
5 NAG FUC GAL 0.637681 0.978261
6 A2G NAG 0.615385 0.9375
7 NAG GAL FUC FUC 0.60274 0.957447
8 NDG FUC GAL FUC 0.60274 0.957447
9 NAG GC4 0.6 0.916667
10 GAL FUC A2G 0.575342 0.978261
11 GLA NAG GAL FUC 0.564103 0.978261
12 MAG SGA FUC 0.5625 0.714286
13 NAG GAL FUC A2G 0.561644 0.978261
14 NDG NAG GLA NAG GLC RAM 0.543478 0.918367
15 NDG GLA NAG GLC RAM 0.543478 0.918367
16 NAG GAD 0.540541 0.88
17 NAG GAL GLC NAG GLC RAM 0.530864 0.9375
18 NAG BDP NAG BDP NAG BDP NAG 0.53012 0.9
19 NAG GAL FUC FUC A2G 0.529412 0.918367
20 NAG FUC GAL FUC A2G 0.529412 0.918367
21 GAL NAG FUC GAL 0.525 0.978261
22 AMU 0.523077 0.913043
23 NAG GAL FUC GLA 0.518519 0.978261
24 1GN ACY GAL 1GN BGC ACY GAL BGC 0.517647 0.9375
25 A2G GAL NAG 0.512821 0.9375
26 GAL FUC GAL 0.507246 0.717391
27 GAL NAG GAL FUC 0.506024 0.9375
28 MAG GAL FUC FUC 0.5 0.9375
29 GAL NAG GAL FUC FUC 0.5 0.957447
30 MAG FUC GAL FUC 0.5 0.9375
31 MGC GAL 0.5 0.957447
32 BGC GAL NAG GAL FUC 0.488636 0.978261
33 NAG BDP NAG BDP 0.483516 0.849057
34 BGC FUC GAL NAG 0.482353 0.978261
35 NDG GLA GLC NAG GLC RAM 0.479592 0.918367
36 BGC FUC GAL 0.478873 0.717391
37 GLC BGC FUC GAL 0.478873 0.717391
38 BGC FUC GAL FUC A2G 0.476744 0.957447
39 BGC GAL FUC A2G 0.471264 0.978261
40 MAG FUC SGA 0.470588 0.676923
41 NAG BDP NAG BDP NAG BDP 0.463158 0.865385
42 GLC GAL NAG GAL FUC GLA 0.462366 0.978261
43 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.461538 0.9
44 MAG FUC G4S 0.458824 0.676923
45 NAG TA5 FUC 0.457831 0.666667
46 NAG GAL 0.457143 0.956522
47 BGC FUC GAL NAG GAL 0.450549 0.978261
48 NAG 0.45 0.888889
49 BGC GAL NGA GAL 0.45 0.956522
50 NDG 0.45 0.888889
51 HSQ 0.45 0.888889
52 BM3 0.45 0.888889
53 A2G 0.45 0.888889
54 NGA 0.45 0.888889
55 GLA NAG FUC GAL 0.448276 0.957447
56 GAL FUC 0.447761 0.680851
57 BGC GAL FUC 0.445946 0.717391
58 GLC GAL BGC FUC 0.445946 0.717391
59 A2G MBN GAL 0.444444 0.916667
60 HSH A2G FUC 0.443182 0.818182
61 GAL NGA A2G 0.441558 0.9375
62 BGC GAL NAG GAL 0.439024 0.956522
63 GLC GAL NAG GAL FUC A2G 0.438776 0.918367
64 A2G GAL SIA 0.4375 0.865385
65 A2G SER GAL 0.4375 0.846154
66 BGC GAL NAG GAL FUC FUC 0.43617 0.957447
67 GAL FUC NGA 0.426829 0.897959
68 NAG FUC GAL SIA 0.424528 0.865385
69 NAG GAL GAL 0.423077 0.956522
70 NAG T45 FUC 0.422222 0.656716
71 BGC GAL FUC GLA 0.419753 0.717391
72 BGC GAL GLA NGA GAL 0.418605 0.956522
73 A2G THR GAL 0.414634 0.882353
74 GAL A2G MBN 0.409639 0.897959
75 GAL NAG GAL 0.407407 0.956522
76 ASG 0.405797 0.66129
77 XYS GAL FUC 0.405063 0.702128
78 BMA MAN NAG 0.402439 0.956522
79 GDL NAG 0.4 0.9375
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG FUC; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6KPM; Ligand: FUC; 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: 6kpm.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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