Receptor
PDB id Resolution Class Description Source Keywords
6TZ7 2.5 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF ASPERGILLUS FUMIGATUS CALCINEURIN A, CA B, FKBP12 AND FK506 (TACROLIMUS) NEOSARTORYA FUMIGATA (STRAIN ATCC MYA-AF293 / CBS 101355 / FGSC A1100) CALCINEURIN FK506 HYDROLASE-ISOMERASE-CALCIUM BINDING COMP
Ref.: HARNESSING CALCINEURIN-FK506-FKBP12 CRYSTAL STRUCTU INVASIVE FUNGAL PATHOGENS TO DEVELOP ANTIFUNGAL AGE NAT COMMUN V. 10 4275 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:203;
B:202;
B:201;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
EDO A:404;
A:405;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
PO4 A:403;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
FE A:402;
Part of Protein;
none;
submit data
55.845 Fe [Fe+3...
FK5 C:201;
Valid;
none;
submit data
804.018 C44 H69 N O12 C[C@@...
ZN A:401;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6TZ7 2.5 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF ASPERGILLUS FUMIGATUS CALCINEURIN A, CA B, FKBP12 AND FK506 (TACROLIMUS) NEOSARTORYA FUMIGATA (STRAIN ATCC MYA-AF293 / CBS 101355 / FGSC A1100) CALCINEURIN FK506 HYDROLASE-ISOMERASE-CALCIUM BINDING COMP
Ref.: HARNESSING CALCINEURIN-FK506-FKBP12 CRYSTAL STRUCTU INVASIVE FUNGAL PATHOGENS TO DEVELOP ANTIFUNGAL AGE NAT COMMUN V. 10 4275 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 6TZ7 - FK5 C44 H69 N O12 C[C@@H]1C[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 6TZ7 - FK5 C44 H69 N O12 C[C@@H]1C[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 6TZ7 - FK5 C44 H69 N O12 C[C@@H]1C[....
2 1TCO - FK5 C44 H69 N O12 C[C@@H]1C[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FK5; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 FK5 1 1
2 FKA 0.746667 0.871429
3 818 0.714286 0.968254
4 858 0.660494 0.847222
Similar Ligands (3D)
Ligand no: 1; Ligand: FK5; 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 : 6TZ7; Ligand: FK5; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 6tz7.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 6J2M FK5 47.1545
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