Receptor
PDB id Resolution Class Description Source Keywords
6MDV 2.5 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF STREPTOCOCCUS PYOGENES ENDO-BETA-N- ACETYLGLUCOSAMINIDASE (ENDOS2) WITH HIGH-MANNOSE GLYCAN STREPTOCOCCUS PYOGENES GLYCOSIDE HYDROLASE ENDO-BETA-N-ACETYLGLUCOSAMINIDASE S2 ENDOGLYCOSIDASE S2 ENDOS2 HYDROLASE
Ref.: MOLECULAR BASIS OF BROAD SPECTRUMN-GLYCAN SPECIFICI PROCESSING OF THERAPEUTIC IGG MONOCLONAL ANTIBODIES ENDOGLYCOSIDASE S2. ACS CENT SCI V. 5 524 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:901;
A:901;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
NAG BMA MAN MAN MAN MAN MAN D:1;
 Valid;
 none;
 submit data
856.774 n/a O(CC1...
NAG BMA MAN MAN MAN MAN MAN MAN C:1;
 Valid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6MDS 2.5 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF STREPTOCOCCUS PYOGENES ENDO-BETA-N- ACETYLGLUCOSAMINIDASE (ENDOS2) WITH COMPLEX BIANTENNARY GLY STREPTOCOCCUS PYOGENES GLYCOSIDE HYDROLASE ENDO-BETA-N-ACETYLGLUCOSAMINIDASE S2 ENDOGLYCOSIDASE S2 ENDOS2 HYDROLASE
Ref.: MOLECULAR BASIS OF BROAD SPECTRUMN-GLYCAN SPECIFICI PROCESSING OF THERAPEUTIC IGG MONOCLONAL ANTIBODIES ENDOGLYCOSIDASE S2. ACS CENT SCI V. 5 524 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 6MDS - NAG BMA MAN MAN NAG GAL NAG GAL n/a n/a
2 6MDV - NAG BMA MAN MAN MAN MAN MAN 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 261 families.
1 6MDS - NAG BMA MAN MAN NAG GAL NAG GAL n/a n/a
2 6MDV - NAG BMA MAN MAN MAN MAN MAN 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 214 families.
1 6MDS - NAG BMA MAN MAN NAG GAL NAG GAL n/a n/a
2 6MDV - NAG BMA MAN MAN MAN MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG BMA MAN MAN MAN MAN MAN; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG BMA MAN MAN MAN MAN MAN 1 1
2 MMA MAN MAN 0.704225 0.921053
3 MAN BMA MAN MAN MAN MAN MAN 0.658824 0.921053
4 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.629214 0.813953
5 YZ0 MAN MAN NAG MAN 0.615385 0.734694
6 BMA MAN MAN MAN 0.6125 0.947368
7 MAN MAN MAN MAN MAN MAN MAN 0.581395 0.868421
8 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.572917 0.693878
9 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.56701 0.693878
10 OPM MAN MAN 0.554217 0.795455
11 MBG GAL 0.549296 0.921053
12 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.528302 0.686275
13 NDG BMA MAN MAN NAG MAN MAN 0.52381 0.686275
14 YZ0 MAN Z4Y NAG MAN 0.518868 0.692308
15 BMA MAN MAN MAN MAN 0.511364 0.825
16 MBG GLA 0.507042 0.921053
17 BMA MAN MAN 0.506329 0.868421
18 MAN MAN MAN GLC 0.506173 0.868421
19 NAG NAG BMA MAN MAN MAN MAN 0.477477 0.636364
20 KDO MAN MAN MAN MAN MAN 0.477064 0.767442
21 H1M MAN MAN 0.476744 0.853659
22 BGC BGC BGC BGC 0.476744 0.868421
23 AXR BXY BXY BXX 0.467391 0.744186
24 NAG BMA MAN MAN NAG GAL NAG GAL 0.466667 0.673077
25 MMA MAN 0.466667 0.921053
26 MAN MAN MAN 0.465909 0.846154
27 NAG BMA MAN MAN MAN MAN 0.464646 0.693878
28 MAN MAN MAN MAN MAN MAN MAN MAN 0.464646 0.75
29 MMA MAN NAG 0.460674 0.734694
30 NDG BMA MAN MAN NAG GAL NAG 0.445455 0.673077
31 BMA MAN MAN NAG GAL NAG 0.443396 0.686275
32 AXR BXY BXY BXY BXX BXX 0.443299 0.744186
33 NAG NAG BMA MAN MAN NAG GAL NAG 0.441441 0.673077
34 BMA NGT MAN MAN 0.43 0.62963
35 MGL GAL 0.428571 0.921053
36 MAN MAN BMA 0.423529 0.825
37 NAG NAG MAN MAN MAN 0.423077 0.686275
38 NAG NAG FUL BMA MAN MAN NAG GAL 0.416667 0.625
39 BQZ 0.416667 0.789474
40 MAN MAN MAN NAG NAG 0.414141 0.686275
41 BGC BGC BGC BGC BGC BGC BGC 0.4125 0.868421
42 BGC BGC BGC 0.4125 0.868421
43 GLC BGC BGC BGC 0.4125 0.868421
44 BGC BGC BGC BGC BGC BGC 0.4125 0.868421
45 BGC BGC BGC BGC BGC 0.4125 0.868421
46 BGC GLC GLC 0.406977 0.868421
47 BGC GLC GLC GLC GLC 0.405063 0.868421
48 BGC GLC GLC GLC GLC GLC 0.405063 0.868421
49 GAL GLA 0.402597 0.868421
Ligand no: 2; Ligand: NAG BMA MAN MAN MAN MAN MAN MAN; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG BMA MAN MAN MAN MAN MAN; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: NAG BMA MAN MAN MAN MAN MAN MAN; Similar ligands found: 1
No: Ligand Similarity coefficient
1 NAG BMA MAN MAN MAN MAN MAN MAN 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6MDS; Ligand: NAG BMA 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: 6mds.bio2) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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