Receptor
PDB id Resolution Class Description Source Keywords
1EOM 2.1 Å EC: 3.2.1.96 CRYSTAL STRUCTURE OF THE COMPLEX OF ENDO-BETA-N-ACETYLGLUCOS F3 WITH A BIANTENNARY COMPLEX OCTASACCHARIDE ELIZABETHKINGIA MENINGOSEPTICA (ALPHA/BETA)-BARREL HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF ENDO-BETA-N-ACETYLGLUCOSAMINIDASE F(3). BIOCHEMISTRY V. 39 7878 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG MAN MAN MAN NAG GAL NAG GAL A:632;
Valid;
none;
submit data
1438.3 n/a O=C(N...
SO4 A:700;
A:701;
A:702;
A:703;
A:704;
A:705;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EOM 2.1 Å EC: 3.2.1.96 CRYSTAL STRUCTURE OF THE COMPLEX OF ENDO-BETA-N-ACETYLGLUCOS F3 WITH A BIANTENNARY COMPLEX OCTASACCHARIDE ELIZABETHKINGIA MENINGOSEPTICA (ALPHA/BETA)-BARREL HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF ENDO-BETA-N-ACETYLGLUCOSAMINIDASE F(3). BIOCHEMISTRY V. 39 7878 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1EOM - NAG MAN MAN MAN NAG GAL NAG GAL n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1EOM - NAG MAN MAN MAN NAG GAL NAG GAL n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1EOM - NAG MAN MAN MAN NAG GAL NAG GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG MAN MAN MAN NAG GAL NAG GAL; Similar ligands found: 147
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG MAN MAN MAN NAG GAL NAG GAL 1 1
2 MAN BMA NAG NAG MAN NAG GAL GAL 1 1
3 NAG MAN BMA NDG MAN NAG GAL 0.945055 1
4 NAG NAG BMA MAN MAN NAG GAL NAG 0.934783 1
5 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.894737 0.979592
6 NAG BMA NAG MAN MAN NAG NAG 0.880435 1
7 NAG NAG BMA MAN MAN 0.784946 0.979592
8 M5G 0.78 0.979592
9 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.760417 0.918367
10 NAG MAN BMA MAN NAG GAL 0.744898 0.979592
11 GAL NAG GAL NAG GAL NAG 0.719101 1
12 NAG GAL GAL NAG 0.719101 0.979592
13 NAG NAG BMA MAN MAN NAG NAG 0.682243 0.924528
14 NAG NAG BMA MAN MAN MAN MAN 0.669725 0.90566
15 NAG NAG FUL BMA MAN MAN NAG GAL 0.663717 0.924528
16 NAG BMA MAN MAN MAN MAN 0.663265 0.918367
17 MAN BMA NAG 0.629214 0.918367
18 GLA GAL NAG 0.629214 0.918367
19 FUC C4W NAG BMA MAN MAN NAG 0.627119 0.942308
20 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.626168 0.849057
21 FUC C4W NAG BMA MAN MAN NAG NAG 0.623932 0.942308
22 LAT NAG GAL 0.621053 0.918367
23 GLC GAL NAG GAL 0.621053 0.918367
24 ASN NAG NAG BMA MAN MAN NAG NAG 0.62069 0.890909
25 NAG MAN MAN MAN NAG 0.612245 0.979592
26 NAG GAL NAG 0.595745 0.979592
27 NAG GAL GAL NAG GAL 0.59375 0.979592
28 NAG NAG BMA MAN NAG 0.587156 0.924528
29 NLC 0.581395 0.918367
30 NDG GAL 0.581395 0.918367
31 GAL NDG 0.581395 0.918367
32 GAL NAG MAN 0.580645 0.918367
33 NAG MAN MAN 0.556701 0.918367
34 GAL BGC NAG GAL 0.556701 0.918367
35 WZ5 0.556604 0.92
36 GAL NAG GAL BGC 0.554455 0.882353
37 NAG NAG NAG NAG NAG NAG NAG NAG 0.554348 1
38 NAG NAG NAG NAG NAG NAG 0.554348 1
39 NDG NAG NAG NAG 0.554348 1
40 NAG NAG NAG NDG 0.554348 1
41 NAG NAG NAG NAG NAG 0.554348 1
42 NAG NAG NAG NAG NDG 0.554348 1
43 NAG NAG NDG NAG 0.554348 1
44 CTO 0.554348 1
45 NAG NAG NDG 0.554348 1
46 NDG NAG NAG 0.554348 1
47 NDG NAG NAG NDG 0.554348 1
48 BMA MAN MAN MAN MAN 0.553191 0.673469
49 DR2 0.541667 0.938776
50 NDG GAL FUC 0.541667 0.938776
51 FUC GAL NDG 0.541667 0.938776
52 FUL GAL NAG 0.541667 0.938776
53 FUC GAL NAG 0.541667 0.938776
54 GAL NAG FUC 0.541667 0.938776
55 NAG GAL FUC 0.541667 0.938776
56 FUC C4W NAG BMA MAN NAG 0.537815 0.942308
57 FUC BGC GAL NAG GAL 0.537037 0.938776
58 NAG NAG BMA MAN 0.533333 0.90566
59 MAN MAN MAN BMA MAN MAN MAN 0.528846 0.68
60 TCG 0.525253 0.844828
61 FUC C4W NAG BMA MAN 0.521739 0.942308
62 MAN MAN MAN BMA MAN 0.520408 0.673469
63 NDG NAG 0.51087 0.979592
64 CBS 0.51087 0.979592
65 NAG GDL 0.51087 0.979592
66 CBS CBS 0.51087 0.979592
67 G6S NAG 0.510204 0.707692
68 GAL NAG GAL 0.51 0.882353
69 MAN MAN MAN MAN MAN MAN MAN 0.509804 0.673469
70 NGA GLA GAL BGC 0.504854 0.918367
71 GAL GLC NAG GAL FUC 0.5 0.938776
72 GLC NAG GAL GAL FUC 0.5 0.938776
73 FUC GAL NAG GAL BGC 0.5 0.938776
74 NAG GAL BGC 0.5 0.918367
75 BGC GAL NAG GAL FUC FUC 0.495575 0.959184
76 GLC GAL NAG GAL FUC FUC 0.495575 0.959184
77 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.495413 0.979592
78 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.495413 0.618182
79 1GN ACY GAL ACY 1GN BGC GAL BGC 0.495413 0.979592
80 MMA MAN NAG MAN NAG NAG 0.495327 0.98
81 BMA Z4Y NAG 0.495238 0.9
82 WZ4 0.491667 0.867925
83 NAG NAG BMA 0.490196 0.90566
84 NAG NDG BMA 0.490196 0.90566
85 BGC GAL NAG GAL 0.490196 0.918367
86 GAL NAG GAL GLC 0.490196 0.918367
87 FUC GAL NAG A2G 0.486239 1
88 A2G GAL NAG FUC 0.486239 1
89 GAL NGA GLA BGC GAL 0.485714 0.918367
90 NAG MAN BMA 0.484848 0.918367
91 FUC C4W NAG BMA 0.482143 0.942308
92 NAG MAN MMA 0.48 0.92
93 NAG FUC 0.468085 0.897959
94 NAG BMA MAN MAN MAN MAN MAN 0.466667 0.673077
95 NAG A2G GAL 0.461538 0.979592
96 GLA GAL NAG FUC GAL GLC 0.452991 0.938776
97 BGC GAL NAG SIA GAL 0.451128 0.924528
98 SIA GAL NAG GAL BGC 0.451128 0.924528
99 SIA GAL NAG GAL GLC 0.451128 0.924528
100 GLC GAL NAG GAL FUC A2G 0.446281 1
101 A2G GAL NAG FUC GAL GLC 0.446281 1
102 NGA GAL BGC 0.445545 0.918367
103 MAN MAN MAN GLC 0.443299 0.673469
104 NAG GCU NAG GCD 0.434426 0.907407
105 KDO MAN MAN MAN MAN MAN 0.432 0.673077
106 8VZ 0.431579 0.96
107 MAN MAN NAG 0.428571 0.882353
108 NAG NAG BMA BMA 0.427273 0.907407
109 BMA NGT MAN MAN 0.424779 0.677966
110 FUC GAL NDG FUC 0.424528 0.959184
111 FUC GAL NAG FUC 0.424528 0.959184
112 FUC NAG GAL FUC 0.424528 0.959184
113 FUC NDG GAL FUC 0.424528 0.959184
114 BDZ 0.424528 0.959184
115 BCW 0.424528 0.959184
116 GAL NAG FUC FUC 0.424528 0.959184
117 GAL NDG FUC FUC 0.424528 0.959184
118 UNU GAL NAG 0.422018 0.96
119 GLA GAL GAL 0.421053 0.673469
120 MAN MAN MAN MAN 0.42 0.673469
121 MAN MAN BMA MAN 0.42 0.673469
122 DR3 0.419048 0.938776
123 BGC BGC BGC BGC BGC BGC BGC BGC 0.418367 0.673469
124 BMA MAN MAN MAN 0.416667 0.673469
125 A2G GAL 0.416667 0.918367
126 GAL NGA 0.416667 0.918367
127 GAL A2G 0.416667 0.918367
128 FUC GAL NAG GAL FUC 0.415929 0.959184
129 FUC BGC GAL NAG 0.415929 0.938776
130 OPM MAN MAN 0.413462 0.607143
131 HS2 0.413462 0.882353
132 4U1 0.41129 0.942308
133 NAG GAL SIA 0.41129 0.924528
134 A2G GAL BGC FUC 0.408696 0.938776
135 MAN MAN BMA 0.404255 0.673469
136 BMA BMA MAN 0.404255 0.673469
137 MAN MMA MAN 0.40404 0.68
138 M5S 0.401961 0.673469
139 GLC GLC GLC BGC 0.401961 0.673469
140 MAN BMA MAN MAN MAN 0.401961 0.673469
141 NAG NAG NAG 0.401869 0.924528
142 NAG NAG NAG NAG 0.401869 0.924528
143 GAL NAG SIA GAL 0.401515 0.924528
144 3PV 0.4 0.867925
145 GAL NDG FUC 0.4 0.938776
146 FUC NDG GAL 0.4 0.938776
147 SN5 SN5 0.4 0.811321
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1EOM; Ligand: NAG MAN MAN MAN NAG GAL NAG GAL; 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: 1eom.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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