Receptor
PDB id Resolution Class Description Source Keywords
5A57 1.46 Å EC: 3.2.1.97 THE STRUCTURE OF GH101 FROM STREPTOCOCCUS PNEUMONIAE TIGR4 I WITH PUGT STREPTOCOCCUS PNEUMONIAE HYDROLASE ENDO-BETA-N-ACETYLGALACTOSAMINIDASE GLYCOSIDE HYFAMILY 101 GH101 T-ANTIGEN MUCIN DEGRADATION
Ref.: STRUCTURAL ANALYSIS OF A FAMILY 101 GLYCOSIDE HYDRO COMPLEX WITH CARBOHYDRATES REVEALS INSIGHTS INTO IT MECHANISM. J.BIOL.CHEM. V. 290 25657 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:2452;
A:2450;
A:2444;
A:2456;
A:2455;
A:2436;
A:2442;
A:2441;
A:2445;
A:2437;
A:2454;
A:2446;
A:2440;
A:2434;
A:2448;
A:2451;
A:2447;
A:2439;
A:2453;
A:2438;
A:2435;
A:2443;
A:2449;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
CA A:2429;
A:2428;
A:2430;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
40.078 Ca [Ca+2...
5G0 GAL A:2433;
 Valid;
 none;
 submit data
515.472 n/a O(N=C...
CIT A:2431;
A:2432;
 Invalid;
Invalid;
 none;
none;
 submit data
192.124 C6 H8 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5A57 1.46 Å EC: 3.2.1.97 THE STRUCTURE OF GH101 FROM STREPTOCOCCUS PNEUMONIAE TIGR4 I WITH PUGT STREPTOCOCCUS PNEUMONIAE HYDROLASE ENDO-BETA-N-ACETYLGALACTOSAMINIDASE GLYCOSIDE HYFAMILY 101 GH101 T-ANTIGEN MUCIN DEGRADATION
Ref.: STRUCTURAL ANALYSIS OF A FAMILY 101 GLYCOSIDE HYDRO COMPLEX WITH CARBOHYDRATES REVEALS INSIGHTS INTO IT MECHANISM. J.BIOL.CHEM. V. 290 25657 2015
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5A57 - 5G0 GAL n/a n/a
2 5A58 - A2G SER GAL n/a n/a
3 5A5A - NGA GAL n/a n/a
4 5A59 - A2G GAL n/a n/a
5 5A56 - MGC GAL n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5A57 - 5G0 GAL n/a n/a
2 5A58 - A2G SER GAL n/a n/a
3 5A5A - NGA GAL n/a n/a
4 5A59 - A2G GAL n/a n/a
5 5A56 - MGC GAL n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5A57 - 5G0 GAL n/a n/a
2 5A58 - A2G SER GAL n/a n/a
3 5A5A - NGA GAL n/a n/a
4 5A59 - A2G GAL n/a n/a
5 5A56 - MGC GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5G0 GAL; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 5G0 GAL 1 1
2 OAN 0.56044 0.838235
3 OGN 0.56044 0.838235
4 GDL PHJ NAG 0.542857 0.84058
5 NP6 0.525773 0.830986
6 8M7 0.510204 0.802817
7 VPU 0.51 0.808219
8 LOG GAL 0.5 0.794118
9 GYZ 0.4 0.746269
Similar Ligands (3D)
Ligand no: 1; Ligand: 5G0 GAL; 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 : 5A57; Ligand: 5G0 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: 5a57.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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