Receptor
PDB id Resolution Class Description Source Keywords
6T8L 1.7 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF BACTEROIDES THETAIOTAMICRON ENDOBT-3987 MAN9GLCNAC PRODUCT IN P212121 BACTEROIDES THETAIOTAOMICRON VPI-5482 ENDO-B-N-ACETYLGLUCOSAMINIDASE ENDOBT GLYCOSIDE HYDROLASEHYDROLASE
Ref.: STRUCTURAL BASIS OF MAMMALIAN HIGH-MANNOSE N-GLYCAN PROCESSING BY HUMAN GUT BACTEROIDES. NAT COMMUN V. 11 899 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:511;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN B:1;
 Valid;
 none;
 submit data
1680.48 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6TCW 1.6 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF BACTEROIDES THETAIOTAMICRON ENDOBT-3987 MAN5GLCNAC PRODUCT BACTEROIDES THETAIOTAOMICRON VPI-5482 ENDO-B-N-ACETYLGLUCOSAMINIDASE ENDOBT GLYCOSIDE HYDROLASEHYDROLASE
Ref.: STRUCTURAL BASIS OF MAMMALIAN HIGH-MANNOSE N-GLYCAN PROCESSING BY HUMAN GUT BACTEROIDES. NAT COMMUN V. 11 899 2020
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 6TCW - NAG BMA MAN MAN MAN MAN n/a n/a
2 6T8K - NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
3 6T8L - NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
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 6TCW - NAG BMA MAN MAN MAN MAN n/a n/a
2 6T8K - NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
3 6T8L - NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
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 6TCW - NAG BMA MAN MAN MAN MAN n/a n/a
2 6T8K - NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
3 6T8L - NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 1 1
2 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.91954 1
3 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.893617 0.9375
4 NAG BMA MAN MAN NAG GAL NAG GAL 0.827957 0.918367
5 NDG BMA MAN MAN NAG MAN MAN 0.795918 0.9375
6 NDG BMA MAN MAN NAG GAL NAG 0.785714 0.918367
7 NAG NAG BMA MAN MAN NAG GAL NAG 0.777778 0.918367
8 NAG BMA MAN MAN MAN MAN 0.731183 1
9 NAG NAG MAN MAN MAN 0.690722 0.9375
10 NAG GAL GAL 0.643678 1
11 MAN BMA MAN MAN MAN MAN MAN 0.635417 0.73913
12 NAG NAG BMA MAN MAN MAN MAN 0.621622 0.865385
13 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.61 0.666667
14 BMA MAN MAN NAG GAL NAG 0.609524 0.9375
15 MAN MAN MAN MAN MAN MAN MAN 0.6 0.733333
16 NAG GAL 0.595238 1
17 NAG NAG BMA MAN NAG 0.594059 0.918367
18 NAG GAL NAG GAL NAG GAL 0.589474 0.918367
19 NAG GAL NAG GAL 0.589474 0.9375
20 NAG GAL BGC GAL 0.585106 1
21 BGC GAL NAG NAG GAL GAL 0.576923 0.9375
22 NAG NAG FUL BMA MAN MAN NAG GAL 0.576271 0.849057
23 NAG GAL FUC A2G 0.569892 0.978261
24 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.569106 0.775862
25 NAG BMA MAN MAN MAN MAN MAN 0.56701 0.693878
26 NAG NAG BMA MAN MAN NAG NAG 0.561404 0.849057
27 C4W NAG FUC BMA MAN MAN NAG 0.544715 0.865385
28 MAN MAN MAN NAG NAG 0.544554 0.9375
29 NAG GAL NAG 0.541667 0.9375
30 C4W NAG FUC BMA MAN MAN NAG NAG 0.540984 0.865385
31 YZ0 MAN MAN NAG MAN 0.537736 0.957447
32 NAG G6S 0.520833 0.725806
33 NAG GAL FUC GLA 0.519608 0.978261
34 1GN ACY GAL 1GN BGC ACY GAL BGC 0.518868 0.9375
35 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.512195 0.833333
36 NAG ASN NAG BMA MAN MAN NAG NAG 0.512195 0.818182
37 BGC GAL NAG GAL FUC 0.509259 0.978261
38 BGC GAL NAG GAL FUC FUC 0.491071 0.957447
39 KDO MAN MAN MAN MAN MAN 0.487395 0.693878
40 BGC GAL NAG GAL 0.485149 1
41 C4W NAG FUC BMA MAN NAG GAL 0.483607 0.775862
42 GAL NAG GAL NAG GAL 0.480392 0.9375
43 MAN MAN MAN GLC 0.468085 0.733333
44 BGC GAL GLA NGA GAL 0.466667 1
45 OPM MAN MAN 0.464646 0.653846
46 MAN NAG GAL 0.464646 1
47 YZ0 MAN Z4Y NAG MAN 0.46281 0.9
48 BMA MAN MAN MAN MAN 0.460784 0.73913
49 C4W NAG FUC BMA MAN NAG 0.459677 0.865385
50 BMA NGT MAN MAN 0.458716 0.696429
51 GDL NAG 0.457447 0.9375
52 C4W NAG FUC BMA MAN 0.453782 0.865385
53 BGC GAL NAG 0.45098 1
54 BMA Z4Y NAG 0.448598 0.978261
55 GLC GAL NAG GAL FUC GLA 0.448276 0.978261
56 NAG GAL FUC FUC 0.446602 0.957447
57 NDG FUC GAL FUC 0.446602 0.957447
58 GAL NAG GAL 0.445545 1
59 BGC BGC BGC BGC 0.444444 0.733333
60 BGC GAL GLA NGA 0.443396 1
61 A2G GAL NAG 0.442308 0.9375
62 BGC GLC GLC 0.442105 0.733333
63 MMA MAN MAN 0.442105 0.73913
64 NAG GAL FUC 0.441176 0.978261
65 TVD GAL 0.44086 0.918367
66 NAG NAG NAG NAG NAG NAG NAG NAG 0.438776 0.918367
67 NAG NAG NAG NAG NAG NAG 0.438776 0.918367
68 NDG NAG NAG NAG NAG 0.438776 0.918367
69 NAG NAG NAG NAG NAG 0.438776 0.918367
70 BGC FUC GAL NAG GAL 0.438596 0.978261
71 MMA MAN NAG MAN NAG NAG 0.436364 0.9
72 NAG NAG BMA MAN 0.432432 0.865385
73 BGC GAL GLA 0.430108 0.733333
74 NAG GAL UNU 0.429907 0.918367
75 NAG GAL NAG GAL SIA 0.428571 0.849057
76 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.427673 0.737705
77 A2G GAL 0.425532 1
78 GLC GLC GLC GLC GLC 0.424242 0.733333
79 BGC GLC GLC GLC 0.424242 0.733333
80 BGC GAL NGA GAL 0.423077 1
81 BMA MAN MAN 0.421053 0.733333
82 NAG NAG NAG TMX 0.419048 0.775862
83 MMA MAN NAG 0.417476 0.957447
84 NDG GLA GLC NAG GLC RAM 0.416 0.918367
85 NDG GLA NAG GLC RAM 0.414634 0.918367
86 NDG NAG GLA NAG GLC RAM 0.414634 0.918367
87 C4W NAG FUC BMA 0.413793 0.865385
88 GLA NAG GAL FUC 0.412844 0.978261
89 BGC BGC BGC BGC BGC BGC BGC BGC 0.412371 0.733333
90 MAN MAN MAN MAN MAN MAN MAN MAN 0.412281 0.647059
91 GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ 0.411348 0.818182
92 GAL NAG GAL FUC FUC 0.410714 0.957447
93 NAG FUC GAL 0.407767 0.978261
94 BMA MAN MAN MAN 0.407767 0.723404
95 GLC GAL NAG GAL FUC A2G 0.406504 0.918367
96 BGC GAL FUC 0.40404 0.755556
97 GLC GAL BGC FUC 0.40404 0.755556
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN; 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 : 6TCW; Ligand: NAG BMA MAN MAN MAN MAN; 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: 6tcw.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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