Receptor
PDB id Resolution Class Description Source Keywords
4YWV 2.4 Å EC: 1.-.-.- STRUCTURAL INSIGHT INTO THE SUBSTRATE INHIBITION MECHANISM O DEPENDENT SUCCINIC SEMIALDEHYDE DEHYDROGENASE FROM STREPTOCP YOGENES STREPTOCOCCUS PYOGENES MGAS1882 SUCCINIC SEMIALDEHYDE DEHYDROGENASE STREPTOCOCCUS PYOGENESSUBSTRATE INHIBITION ESS-COMPLEX STRUCTURE OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHT INTO THE SUBSTRATE INHIBITION ME OF NADP(+)-DEPENDENT SUCCINIC SEMIALDEHYDE DEHYDROG FROM STREPTOCOCCUS PYOGENES. BIOCHEM.BIOPHYS.RES.COMMUN. V. 461 487 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SSN B:501;
A:502;
B:502;
A:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 0.1 mM
102.089 C4 H6 O3 C(CC(...
SO4 B:503;
A:503;
A:504;
Invalid;
Invalid;
Invalid;
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
4YWV 2.4 Å EC: 1.-.-.- STRUCTURAL INSIGHT INTO THE SUBSTRATE INHIBITION MECHANISM O DEPENDENT SUCCINIC SEMIALDEHYDE DEHYDROGENASE FROM STREPTOCP YOGENES STREPTOCOCCUS PYOGENES MGAS1882 SUCCINIC SEMIALDEHYDE DEHYDROGENASE STREPTOCOCCUS PYOGENESSUBSTRATE INHIBITION ESS-COMPLEX STRUCTURE OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHT INTO THE SUBSTRATE INHIBITION ME OF NADP(+)-DEPENDENT SUCCINIC SEMIALDEHYDE DEHYDROG FROM STREPTOCOCCUS PYOGENES. BIOCHEM.BIOPHYS.RES.COMMUN. V. 461 487 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 352 families.
1 4YWV Ki = 0.1 mM SSN C4 H6 O3 C(CC(=O)O)....
2 4OHT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4YWU Ki = 0.1 mM SSN C4 H6 O3 C(CC(=O)O)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 311 families.
1 4YWV Ki = 0.1 mM SSN C4 H6 O3 C(CC(=O)O)....
2 4OHT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4YWU Ki = 0.1 mM SSN C4 H6 O3 C(CC(=O)O)....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 207 families.
1 4ITB - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 3VZ3 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4YWV Ki = 0.1 mM SSN C4 H6 O3 C(CC(=O)O)....
4 4OHT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4YWU Ki = 0.1 mM SSN C4 H6 O3 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SSN; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 SSN 1 1
2 SIN 0.473684 0.866667
3 3OH 0.428571 0.631579
4 BUA 0.409091 0.6875
5 0L1 0.409091 0.722222
6 GUA 0.409091 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YWV; Ligand: SSN; Similar sites found with APoc: 9
This union binding pocket(no: 1) in the query (biounit: 4ywv.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 4I3V NAD 44.2623
2 5L13 6ZE 46.6667
3 5L13 6ZE 46.6667
4 5L13 6ZE 46.6667
5 5L13 6ZE 46.6667
6 5L13 6ZE 46.6667
7 5L13 6ZE 46.6667
8 5L13 6ZE 46.6667
9 5L13 6ZE 46.6667
Pocket No.: 2; Query (leader) PDB : 4YWV; Ligand: SSN; Similar sites found with APoc: 9
This union binding pocket(no: 2) in the query (biounit: 4ywv.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 4I3V NAD 44.2623
2 5L13 6ZE 46.6667
3 5L13 6ZE 46.6667
4 5L13 6ZE 46.6667
5 5L13 6ZE 46.6667
6 5L13 6ZE 46.6667
7 5L13 6ZE 46.6667
8 5L13 6ZE 46.6667
9 5L13 6ZE 46.6667
Pocket No.: 3; Query (leader) PDB : 4YWV; Ligand: SSN; Similar sites found with APoc: 9
This union binding pocket(no: 3) in the query (biounit: 4ywv.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 4I3V NAD 44.2623
2 5L13 6ZE 46.6667
3 5L13 6ZE 46.6667
4 5L13 6ZE 46.6667
5 5L13 6ZE 46.6667
6 5L13 6ZE 46.6667
7 5L13 6ZE 46.6667
8 5L13 6ZE 46.6667
9 5L13 6ZE 46.6667
Pocket No.: 4; Query (leader) PDB : 4YWV; Ligand: SSN; Similar sites found with APoc: 4
This union binding pocket(no: 4) in the query (biounit: 4ywv.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 5L13 6ZE 46.6667
2 5L13 6ZE 46.6667
3 5L13 6ZE 46.6667
4 5L13 6ZE 46.6667
APoc FAQ
Feedback