Receptor
PDB id Resolution Class Description Source Keywords
4D06 2 Å EC: 5.5.1.6 BACTERIAL CHALCONE ISOMERASE COMPLEXED WITH NARINGENIN EUBACTERIUM RAMULUS ISOMERASE BACTERIAL CHALCONE ISOMERASE FLAVONOIDS NARINGE
Ref.: STRUCTURE AND CATALYTIC MECHANISM OF THE EVOLUTIONA UNIQUE BACTERIAL CHALCONE ISOMERASE ACTA CRYSTALLOGR.,SECT.D V. 71 907 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL E:402;
D:401;
D:403;
A:402;
F:401;
A:401;
E:404;
C:401;
E:403;
C:403;
B:402;
C:402;
D:402;
E:401;
F:403;
B:401;
F:402;
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;
submit data
35.453 Cl [Cl-]
X8W D:303;
B:301;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0;
none;
submit data
272.253 C15 H12 O5 c1cc(...
NAR D:301;
D:302;
F:302;
F:301;
A:301;
C:301;
E:301;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
Atoms found LESS than expected: % Diff = 0;
none;
none;
none;
none;
submit data
272.253 C15 H12 O5 c1cc(...
GOL F:303;
B:302;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4D06 2 Å EC: 5.5.1.6 BACTERIAL CHALCONE ISOMERASE COMPLEXED WITH NARINGENIN EUBACTERIUM RAMULUS ISOMERASE BACTERIAL CHALCONE ISOMERASE FLAVONOIDS NARINGE
Ref.: STRUCTURE AND CATALYTIC MECHANISM OF THE EVOLUTIONA UNIQUE BACTERIAL CHALCONE ISOMERASE ACTA CRYSTALLOGR.,SECT.D V. 71 907 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4D06 - X8W C15 H12 O5 c1cc(ccc1/....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4D06 - X8W C15 H12 O5 c1cc(ccc1/....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4D06 - X8W C15 H12 O5 c1cc(ccc1/....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: X8W; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 X8W 1 1
2 HCC 0.568627 1
3 IPJ 0.490196 0.695652
4 HC4 0.488889 0.666667
Ligand no: 2; Ligand: NAR; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 CWE 1 1
2 NAR 1 1
3 SAK 0.65 0.870968
4 6JP 0.609375 0.848485
5 DFV 0.516667 0.928571
6 DFL 0.460317 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4D06; Ligand: NAR; 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: 4d06.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4D06; Ligand: NAR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4d06.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4D06; Ligand: X8W; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4d06.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4D06; Ligand: NAR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4d06.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4D06; Ligand: X8W; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4d06.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4D06; Ligand: NAR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4d06.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4D06; Ligand: NAR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4d06.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4D06; Ligand: NAR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4d06.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4D06; Ligand: NAR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4d06.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback