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: 146
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN BMA NAG NAG MAN NAG GAL GAL 1 1
2 NAG MAN GAL BMA NDG MAN NAG GAL 1 1
3 NAG MAN MAN MAN NAG GAL NAG GAL 1 1
4 NAG MAN GAL BMA NAG MAN NAG GAL 1 1
5 NAG MAN BMA NDG MAN NAG GAL 0.945055 1
6 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.894737 0.979592
7 NAG BMA NAG MAN MAN NAG NAG 0.880435 1
8 NAG NAG BMA MAN MAN 0.784946 0.979592
9 NAG MAN GAL MAN MAN NAG GAL 0.784946 0.979592
10 MAN MAN NAG MAN NAG 0.784946 0.979592
11 M5G 0.78 0.979592
12 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.760417 0.918367
13 NAG GAL GAL NAG 0.719101 0.979592
14 GAL NAG GAL NAG GAL NAG 0.719101 1
15 NAG BMA MAN MAN MAN MAN 0.684211 0.918367
16 NAG NAG BMA MAN MAN NAG NAG 0.682243 0.924528
17 NAG NAG BMA MAN MAN MAN MAN 0.669725 0.90566
18 GLA GAL NAG 0.629214 0.918367
19 MAN BMA NAG 0.629214 0.918367
20 NAG GAL GAL 0.629214 0.918367
21 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.626168 0.849057
22 GLC GAL NAG GAL 0.621053 0.918367
23 ASN NAG NAG BMA MAN MAN NAG NAG 0.615385 0.907407
24 NAG MAN MAN MAN NAG 0.612245 0.979592
25 NAG GAL NAG 0.595745 0.979592
26 NAG GAL GAL NAG GAL 0.59375 0.979592
27 NAG NAG BMA MAN NAG 0.587156 0.924528
28 NDG GAL 0.581395 0.918367
29 NLC 0.581395 0.918367
30 GAL NDG 0.581395 0.918367
31 GAL NAG MAN 0.580645 0.918367
32 MAN NAG GAL 0.580645 0.918367
33 NAG MAN MAN 0.556701 0.918367
34 NAG MAN BMA 0.556701 0.918367
35 GAL BGC NAG GAL 0.556701 0.918367
36 WZ5 0.556604 0.92
37 NAG NAG NAG NAG 0.554348 1
38 NAG NAG NAG NAG NAG NAG NAG NAG 0.554348 1
39 NDG NAG NAG NDG NAG 0.554348 1
40 NAG NAG NAG 0.554348 1
41 NDG NAG NAG NAG 0.554348 1
42 NAG NAG NAG NAG NDG 0.554348 1
43 NAG NAG NAG NAG NDG NAG 0.554348 1
44 NAG NAG NAG NAG NAG NAG 0.554348 1
45 CTO 0.554348 1
46 NAG NAG NAG NDG 0.554348 1
47 NAG NAG NDG 0.554348 1
48 NDG NAG NAG 0.554348 1
49 NDG NAG NAG NDG 0.554348 1
50 NAG NAG NAG NAG NAG 0.554348 1
51 DR2 0.541667 0.938776
52 NDG GAL FUC 0.541667 0.938776
53 FUC GAL NAG 0.541667 0.938776
54 FUL GAL NAG 0.541667 0.938776
55 FUC GAL NDG 0.541667 0.938776
56 FUC BGC GAL NAG GAL 0.537037 0.938776
57 NAG NAG BMA MAN 0.533333 0.90566
58 MAN MAN MAN BMA MAN MAN MAN 0.528846 0.68
59 TCG 0.525253 0.844828
60 CTO TMX 0.525253 0.844828
61 MAN MAN MAN BMA MAN 0.520408 0.673469
62 CBS CBS 0.51087 0.979592
63 NAG NDG 0.51087 0.979592
64 NAG GDL 0.51087 0.979592
65 CBS 0.51087 0.979592
66 G6S NAG 0.510204 0.714286
67 GAL NAG GAL 0.51 0.882353
68 NGA GLA GAL BGC 0.504854 0.918367
69 FUC GAL NAG GAL BGC 0.5 0.938776
70 NAG GAL BGC 0.5 0.918367
71 BGC GAL NAG GAL FUC FUC 0.495575 0.959184
72 GLC GAL NAG GAL FUC FUC 0.495575 0.959184
73 1GN ACY GAL ACY 1GN BGC GAL BGC 0.495413 0.979592
74 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.495413 0.979592
75 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.495413 0.618182
76 MMA MAN NAG MAN NAG NAG 0.495327 0.98
77 WZ4 0.491667 0.867925
78 NAG NAG BMA 0.490196 0.90566
79 LAT NAG GAL 0.490196 0.918367
80 BGC GAL NAG GAL 0.490196 0.918367
81 NAG NDG BMA 0.490196 0.90566
82 GAL NAG GAL BGC 0.490196 0.918367
83 A2G GAL NAG FUC 0.486239 1
84 GAL NGA GLA BGC GAL 0.485714 0.918367
85 NAG MAN MMA 0.48 0.92
86 NAG NAG NAG NAG NAG NAG NAG 0.476636 0.907407
87 FUC GAL NAG A2G 0.468468 0.907407
88 NAG FUC 0.468085 0.897959
89 NAG BMA MAN MAN MAN MAN MAN 0.466667 0.673077
90 GLA GAL NAG FUC GAL GLC 0.452991 0.938776
91 SIA GAL NAG GAL BGC 0.451128 0.924528
92 BGC GAL NAG SIA GAL 0.451128 0.924528
93 SIA GAL NAG GAL GLC 0.451128 0.924528
94 GLC GAL NAG GAL FUC A2G 0.446281 1
95 A2G GAL NAG FUC GAL GLC 0.446281 1
96 NGA GAL BGC 0.445545 0.918367
97 MAN MAN MAN GLC 0.443299 0.673469
98 NAG GCU NAG GCD 0.434426 0.907407
99 KDO MAN MAN MAN MAN MAN 0.432 0.673077
100 8VZ 0.431579 0.96
101 MAN MAN NAG 0.428571 0.882353
102 NAG NAG BMA BMA 0.427273 0.907407
103 BMA NGT MAN MAN 0.424779 0.677966
104 GAL NDG FUC FUC 0.424528 0.959184
105 BDZ 0.424528 0.959184
106 FUC NDG GAL FUC 0.424528 0.959184
107 BCW 0.424528 0.959184
108 FUC GAL NAG FUC 0.424528 0.959184
109 FUC GAL NDG FUC 0.424528 0.959184
110 GAL NAG FUC FUC 0.424528 0.959184
111 FUC NAG GAL FUC 0.424528 0.959184
112 UNU GAL NAG 0.422018 0.96
113 GLA GAL GAL 0.421053 0.673469
114 GLA GAL BGC 0.421053 0.673469
115 BMA MAN MAN 0.421053 0.673469
116 MAN MAN BMA MAN 0.42 0.673469
117 MAN MAN MAN MAN 0.42 0.673469
118 DR3 0.419048 0.938776
119 NAG GAL FUC 0.419048 0.938776
120 BGC BGC BGC BGC BGC BGC BGC BGC 0.418367 0.673469
121 BGC BGC BGC BGC 0.418367 0.673469
122 GAL NGA 0.416667 0.918367
123 A2G GAL 0.416667 0.918367
124 GAL A2G 0.416667 0.918367
125 FUC BGC GAL NAG 0.415929 0.938776
126 FUC GAL NAG GAL FUC 0.415929 0.959184
127 GAL NGA A2G 0.415842 0.96
128 OPM MAN MAN 0.413462 0.607143
129 HS2 0.413462 0.882353
130 4U1 0.41129 0.942308
131 NAG GAL SIA 0.41129 0.924528
132 GLC GLC GLC GLC GLC GLC 0.41 0.673469
133 A2G GAL BGC FUC 0.408696 0.938776
134 MAN MAN BMA 0.404255 0.673469
135 MAN MMA MAN 0.40404 0.68
136 GLC GLC GLC BGC 0.401961 0.673469
137 MAN BMA MAN MAN MAN 0.401961 0.673469
138 M5S 0.401961 0.673469
139 GAL NAG SIA GAL 0.401515 0.924528
140 SIA GAL NAG GAL 0.401515 0.924528
141 SN5 SN5 0.4 0.811321
142 GAL NDG FUC 0.4 0.938776
143 GAL NAG FUC 0.4 0.938776
144 FUC NDG GAL 0.4 0.938776
145 FUC NAG GAL 0.4 0.938776
146 3PV 0.4 0.867925
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: 27
This union binding pocket(no: 1) in the query (biounit: 1eom.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4D4U FUC NDG GAL FUC 0.01702 0.40761 2.06897
2 2W92 NGT 0.00004689 0.54408 2.41379
3 5LZH 7BO 0.01618 0.40584 2.91262
4 4TX6 38B 0.01032 0.41121 3.10345
5 2OMN IPH 0.01389 0.41323 3.22581
6 3C8F MT2 0.005214 0.4155 3.26531
7 4KYS VIB 0.0136 0.41408 4.68384
8 4D1J DGJ 0.02115 0.40405 5.17241
9 3A4X NAG NAG NAG NDG 0.007018 0.41164 5.86207
10 1VBH PEP 0.02585 0.40035 5.86207
11 3RM4 3RM 0.00173 0.43386 6.2069
12 2J1E NDG GAL 0.02698 0.40354 6.66667
13 4R5E AO3 0.001303 0.40962 6.89655
14 4TVD GLC 0.01765 0.40282 7.24138
15 3RJY GLC 0.01964 0.40185 7.58621
16 1DZT ATY 0.0217 0.40182 8.19672
17 3WD1 ST7 0.004422 0.43925 8.27586
18 4RW3 IPD 0.01028 0.41565 8.62069
19 2NZ2 CIR 0.01164 0.41753 9.31034
20 4HN1 TYD 0.006519 0.42086 12.4378
21 2FB3 GTP 0.005868 0.41791 14.1379
22 3WQV GCS GCS GCS GCS GCS 0.01637 0.40559 15.1724
23 1JQY A32 0.02055 0.40491 15.534
24 3G6M CFF 0.0001836 0.5144 15.8621
25 2WK2 SN5 SN5 NGT 0.001718 0.45865 20
26 2WK2 SN5 SN5 0.001718 0.45865 20
27 4L6T GAL NGA GAL BGC SIA 0.009763 0.41675 25.8929
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