Receptor
PDB id Resolution Class Description Source Keywords
4BX7 2.26 Å NON-ENZYME: BINDING TRANS-DIVALENT STREPTAVIDIN BOUND TO BIOTIN-4-FLUORESCEIN STREPTOMYCES AVIDINII BIOTIN-BINDING PROTEIN AVIDIN BIOTIN
Ref.: PLUG-AND-PLAY PAIRING VIA DEFINED DIVALENT STREPTAV J.MOL.BIOL. V. 426 199 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B4F B:1134;
 Valid;
 none;
 submit data
644.694 C33 H32 N4 O8 S c1cc(...
MPD A:1134;
 Invalid;
 none;
 submit data
118.174 C6 H14 O2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BX7 2.26 Å NON-ENZYME: BINDING TRANS-DIVALENT STREPTAVIDIN BOUND TO BIOTIN-4-FLUORESCEIN STREPTOMYCES AVIDINII BIOTIN-BINDING PROTEIN AVIDIN BIOTIN
Ref.: PLUG-AND-PLAY PAIRING VIA DEFINED DIVALENT STREPTAV J.MOL.BIOL. V. 426 199 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 4BX7 - B4F C33 H32 N4 O8 S c1cc(c(cc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 4BX7 - B4F C33 H32 N4 O8 S c1cc(c(cc1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 4BX7 - B4F C33 H32 N4 O8 S c1cc(c(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: B4F; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 B4F 1 1
2 LUV 0.423358 0.823529
3 FLG 0.416058 0.648649
4 BH7 0.409449 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: B4F; 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 : 4BX7; Ligand: B4F; 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: 4bx7.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4BX7; Ligand: B4F; 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: 4bx7.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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