Receptor
PDB id Resolution Class Description Source Keywords
5A58 1.8 Å EC: 3.2.1.97 THE STRUCTURE OF GH101 D764N MUTANT FROM STREPTOCOCCUS PNEUMONIAE TIGR4 IN COMPLEX WITH SERINYL T-ANTIGEN 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:2450;
A:2464;
A:2444;
A:2457;
A:2455;
A:2466;
A:2441;
A:2462;
A:2454;
A:2446;
A:2465;
A:2448;
A:2447;
A:2439;
A:2453;
A:2449;
A:2463;
A:2452;
A:2456;
A:2436;
A:2442;
A:2459;
A:2461;
A:2445;
A:2437;
A:2460;
A:2440;
A:2458;
A:2451;
A:2438;
A:2443;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
CA A:2427;
A:2430;
A:2429;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GAL SER A2G A:2433;
Valid;
none;
submit data
470.428 n/a O=C([...
CIT A:2431;
A:2432;
Invalid;
Invalid;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
MN A:2428;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
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 IN COMPLEX 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 - GAL SER A2G n/a n/a
3 5A5A - GAL NGA n/a n/a
4 5A59 - GAL A2G 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 - GAL SER A2G n/a n/a
3 5A5A - GAL NGA n/a n/a
4 5A59 - GAL A2G 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 - GAL SER A2G n/a n/a
3 5A5A - GAL NGA n/a n/a
4 5A59 - GAL A2G n/a n/a
5 5A56 - MGC GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL SER A2G; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 A2G SER GAL 1 1
2 GAL TNR 1 1
3 GAL SER A2G 1 1
4 NGA SER GAL 1 1
5 GAL A2G THR 0.644737 0.941176
6 GAL MGC 0.632353 0.882353
7 GAL TNR SIA 0.591837 0.907407
8 SER MAN 0.575758 0.77551
9 A2G GAL 0.56338 0.918367
10 GAL NGA 0.56338 0.918367
11 GAL A2G 0.56338 0.918367
12 GAL A2G MBN 0.518072 0.901961
13 NPO A2G GAL 0.517647 0.75
14 GAL A2G NPO 0.517647 0.75
15 GAL NGA A2G 0.512821 0.921569
16 GAL NAG GAL BGC 0.511905 0.918367
17 LAT NAG GAL 0.511905 0.918367
18 BGC GAL NAG GAL 0.511905 0.918367
19 CG3 A2G GAL 0.5 0.738462
20 GAL NGA GLA BGC GAL 0.488636 0.918367
21 GAL NDG 0.48 0.918367
22 NLC 0.48 0.918367
23 NDG GAL 0.48 0.918367
24 8VZ 0.48 0.921569
25 NAG GAL GAL 0.463415 0.918367
26 MAN BMA NAG 0.463415 0.918367
27 GLA GAL NAG 0.463415 0.918367
28 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.452632 0.94
29 1GN ACY GAL ACY 1GN BGC GAL BGC 0.452632 0.94
30 MAG FUC GAL 0.452381 0.865385
31 GAL NOK 0.45 0.854545
32 NOK GAL 0.45 0.854545
33 3YW 0.447368 0.84
34 GAL LOG 0.444444 0.779661
35 LOG GAL 0.444444 0.779661
36 NAG BMA 0.443038 0.865385
37 FUC NDG GAL 0.435294 0.9
38 GAL NDG FUC 0.435294 0.9
39 GAL NAG FUC 0.435294 0.9
40 FUC NAG GAL 0.435294 0.9
41 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.434343 0.903846
42 NAG GCU NAG GCU NAG GCU 5AX 0.431579 0.941176
43 NAG BDP NAG BDP NAG BDP NAG 0.431579 0.941176
44 GAL SIA NGA GAL 0.431193 0.90566
45 FUC NAG 0.43038 0.88
46 TNR 0.43038 0.901961
47 NAG BDP 0.426829 0.92
48 GLA NAG GAL FUC 0.423913 0.9
49 GAL NAG GAL FUC 0.423913 0.9
50 NAG GAL GAL NAG GAL 0.422222 0.94
51 NAG GAL GAL NAG 0.422222 0.94
52 GAL NAG GAL NAG GAL NAG 0.422222 0.921569
53 GAL NAG MAN 0.418605 0.918367
54 MAN NAG GAL 0.418605 0.918367
55 GLC GAL NAG GAL 0.417582 0.918367
56 GAL NAG GAL 0.41573 0.882353
57 GAL BGC NAG GAL 0.41573 0.918367
58 MDM 0.410959 0.68
59 M13 0.410959 0.68
60 GAL MBG 0.410959 0.68
61 NAG GAL FUC 0.409091 0.9
62 DR3 0.409091 0.9
63 GLA GAL NAG FUC GAL GLC 0.407767 0.9
64 NAG NGA 0.407407 0.94
65 NAG A2G 0.407407 0.94
66 FUC GAL NAG GAL BGC 0.4 0.9
67 GAL GC2 0.4 0.723077
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5A57; Ligand: 5G0 GAL; Similar sites found: 1
This union binding pocket(no: 1) in the query (biounit: 5a57.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UKQ GLC ACI G6D GLC 0.004651 0.41658 2.04082
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