Receptor
PDB id Resolution Class Description Source Keywords
4XFR 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A DOMAIN OF UNKNOWN FUNCTION (DUF1537) BORDETELLA BRONCHISEPTICA (BB3215), TARGET EFI-511620, WITHC ITRATE, DOMAIN SWAPPED DIMER, SPACE GROUP P6522 BORDETELLA BRONCHISEPTICA ENZYME FUNCTION INITIATIVE EFI STRUCTURAL GENOMICS UNKNOWFUNCTION
Ref.: ASSIGNMENT OF FUNCTION TO A DOMAIN OF UNKNOWN FUNCT DUF1537 IS A NEW KINASE FAMILY IN CATABOLIC PATHWAY ACID SUGARS. PROC.NATL.ACAD.SCI.USA V. 113 E4161 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:502;
B:502;
B:501;
A:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XFR 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A DOMAIN OF UNKNOWN FUNCTION (DUF1537) BORDETELLA BRONCHISEPTICA (BB3215), TARGET EFI-511620, WITHC ITRATE, DOMAIN SWAPPED DIMER, SPACE GROUP P6522 BORDETELLA BRONCHISEPTICA ENZYME FUNCTION INITIATIVE EFI STRUCTURAL GENOMICS UNKNOWFUNCTION
Ref.: ASSIGNMENT OF FUNCTION TO A DOMAIN OF UNKNOWN FUNCT DUF1537 IS A NEW KINASE FAMILY IN CATABOLIC PATHWAY ACID SUGARS. PROC.NATL.ACAD.SCI.USA V. 113 E4161 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4XFR - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4XFR - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4XFR - CIT C6 H8 O7 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XFR; Ligand: CIT; 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: 4xfr.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4XFR; Ligand: CIT; 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: 4xfr.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4XFR; Ligand: CIT; 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: 4xfr.bio3) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4XFR; Ligand: CIT; 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: 4xfr.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4XFR; Ligand: CIT; 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: 4xfr.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4XFR; Ligand: CIT; 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: 4xfr.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4XFR; Ligand: CIT; 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: 4xfr.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4XFR; Ligand: CIT; 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: 4xfr.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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