Receptor
PDB id Resolution Class Description Source Keywords
6BT4 2.31 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE SLH DOMAIN OF SAP FROM BACILLUS ANT COMPLEX WITH A PYRUVYLATED SCWP UNIT BACILLUS ANTHRACIS S-LAYER HOMOLOGY DOMAIN SECONDARY CELL WALL POLYSACCHARIDEWALL ANTHRAX S-LAYER STRUCTURAL PROTEIN
Ref.: MOLECULAR BASIS FOR THE ATTACHMENT OF S-LAYER PROTE THE CELL WALL OF BACILLUS ANTHRACIS. BIOCHEMISTRY V. 57 1949 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:302;
A:303;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
KPM A:301;
 Valid;
 none;
 submit data
494.447 C19 H30 N2 O13 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6BT4 2.31 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE SLH DOMAIN OF SAP FROM BACILLUS ANT COMPLEX WITH A PYRUVYLATED SCWP UNIT BACILLUS ANTHRACIS S-LAYER HOMOLOGY DOMAIN SECONDARY CELL WALL POLYSACCHARIDEWALL ANTHRAX S-LAYER STRUCTURAL PROTEIN
Ref.: MOLECULAR BASIS FOR THE ATTACHMENT OF S-LAYER PROTE THE CELL WALL OF BACILLUS ANTHRACIS. BIOCHEMISTRY V. 57 1949 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6BT4 - KPM C19 H30 N2 O13 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6BT4 - KPM C19 H30 N2 O13 CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6BT4 - KPM C19 H30 N2 O13 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: KPM; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 KPM 1 1
2 6LA 0.6 0.884615
3 GDL NAG 0.53012 0.903846
4 FHY 0.525773 0.962264
5 NAG NAG NAG NAG NAG NAG NAG NAG 0.505747 0.923077
6 NDG NAG NAG NAG NAG 0.505747 0.923077
7 NAG NAG NAG NAG NAG NAG 0.505747 0.923077
8 NAG NAG NAG NAG NAG 0.505747 0.923077
9 NAG NAG 0.483146 0.886792
10 NAG GAL 0.47619 0.846154
11 NAG NAG NAG TMX 0.463158 0.816667
12 NAG GAL NAG 0.452632 0.903846
13 46D 0.442105 0.705882
14 NAG GAL NAG GAL NAG GAL 0.438776 0.923077
15 NAG GAL NAG GAL 0.438776 0.903846
16 NAG G6S 0.431579 0.686567
17 NAG GAL FUC A2G 0.431579 0.865385
18 NAG GAL GAL 0.430108 0.846154
19 NAG NAG BMA MAN NAG 0.424528 0.923077
20 CDG 0.423529 0.673077
21 NAG GCS GCS 0.415842 0.818182
22 NAG NAG MAN MAN MAN 0.412844 0.903846
23 SN5 SN5 0.406593 0.75
24 GAL NAG GAL 0.402062 0.846154
25 NAG GAL UNU 0.401961 0.886792
Similar Ligands (3D)
Ligand no: 1; Ligand: KPM; 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 : 6BT4; Ligand: KPM; 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: 6bt4.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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