Receptor
PDB id Resolution Class Description Source Keywords
1XZ3 1.75 Å NON-ENZYME: BINDING COMPLEX OF APOFERRITIN WITH ISOFLURANE EQUUS CABALLUS 4-HELIX BUNDLE METAL BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR HIGH-AFFINITY VOLATILE ANESTHE BINDING IN A NATURAL 4-HELIX BUNDLE PROTEIN. FASEB J. V. 19 567 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD A:1001;
A:1002;
A:1003;
A:1004;
A:1005;
A:1006;
A:1007;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
112.411 Cd [Cd+2...
ICF A:201;
Valid;
none;
Ka ~ 100000 M^-1
184.492 C3 H2 Cl F5 O [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XZ3 1.75 Å NON-ENZYME: BINDING COMPLEX OF APOFERRITIN WITH ISOFLURANE EQUUS CABALLUS 4-HELIX BUNDLE METAL BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR HIGH-AFFINITY VOLATILE ANESTHE BINDING IN A NATURAL 4-HELIX BUNDLE PROTEIN. FASEB J. V. 19 567 2005
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 3F39 Kd = 16.5 mM IPH C6 H6 O c1ccc(cc1)....
2 1XZ1 Ka ~ 100000 M^-1 HLT C2 H Br Cl F3 [C@@H](C(F....
3 3F35 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
4 3F33 Kd = 0.46 mM PFL C12 H18 O CC(C)c1ccc....
5 3F38 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
6 3F37 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
7 3F34 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
8 3F36 Kd = 1.3 mM IP0 C9 H12 O CC(C)c1ccc....
9 1XZ3 Ka ~ 100000 M^-1 ICF C3 H2 Cl F5 O [C@H](C(F)....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 5N26 - CPT Cl2 H6 N2 Pt [NH3][Pt](....
2 3F39 Kd = 16.5 mM IPH C6 H6 O c1ccc(cc1)....
3 1XZ1 Ka ~ 100000 M^-1 HLT C2 H Br Cl F3 [C@@H](C(F....
4 3F35 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
5 3F33 Kd = 0.46 mM PFL C12 H18 O CC(C)c1ccc....
6 3F38 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
7 3F37 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
8 3F34 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
9 3F36 Kd = 1.3 mM IP0 C9 H12 O CC(C)c1ccc....
10 1XZ3 Ka ~ 100000 M^-1 ICF C3 H2 Cl F5 O [C@H](C(F)....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5N26 - CPT Cl2 H6 N2 Pt [NH3][Pt](....
2 3F39 Kd = 16.5 mM IPH C6 H6 O c1ccc(cc1)....
3 1XZ1 Ka ~ 100000 M^-1 HLT C2 H Br Cl F3 [C@@H](C(F....
4 3F35 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
5 3F33 Kd = 0.46 mM PFL C12 H18 O CC(C)c1ccc....
6 3F38 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
7 3F37 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
8 3F34 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
9 3F36 Kd = 1.3 mM IP0 C9 H12 O CC(C)c1ccc....
10 1XZ3 Ka ~ 100000 M^-1 ICF C3 H2 Cl F5 O [C@H](C(F)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ICF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ICF 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XZ3; Ligand: ICF; 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: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1XZ3; Ligand: ICF; 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: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1XZ3; Ligand: ICF; 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: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1XZ3; Ligand: ICF; 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: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1XZ3; Ligand: ICF; 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: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1XZ3; Ligand: ICF; 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: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1XZ3; Ligand: ICF; 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: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1XZ3; Ligand: ICF; 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: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1XZ3; Ligand: ICF; 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: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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