Receptor
PDB id Resolution Class Description Source Keywords
4XCB 1.6 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF HYGX FROM STREPTOMYCES HYGROSCOPICUS WI 2-OXOGLUTARATE, AND HYGROMYCIN B BOUND STREPTOMYCES HYGROSCOPICUS SUBSP. HYGROSCOPICUS OXIDOREDUCTASE DOUBLE STRANDED BETA HELIX
Ref.: OXIDATIVE CYCLIZATIONS IN ORTHOSOMYCIN BIOSYNTHESIS THE KNOWN CHEMISTRY OF AN OXYGENASE SUPERFAMILY. PROC.NATL.ACAD.SCI.USA V. 112 11547 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NI B:301;
A:301;
C:301;
D:301;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
58.693 Ni [Ni+2...
HY0 B:303;
C:303;
D:303;
A:303;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
527.52 C20 H37 N3 O13 CN[C@...
AKG C:302;
D:302;
A:302;
B:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XCB 1.6 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF HYGX FROM STREPTOMYCES HYGROSCOPICUS WI 2-OXOGLUTARATE, AND HYGROMYCIN B BOUND STREPTOMYCES HYGROSCOPICUS SUBSP. HYGROSCOPICUS OXIDOREDUCTASE DOUBLE STRANDED BETA HELIX
Ref.: OXIDATIVE CYCLIZATIONS IN ORTHOSOMYCIN BIOSYNTHESIS THE KNOWN CHEMISTRY OF AN OXYGENASE SUPERFAMILY. PROC.NATL.ACAD.SCI.USA V. 112 11547 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 4XCA - AKG C5 H6 O5 C(CC(=O)O)....
2 4ZPI - SIN C4 H6 O4 C(CC(=O)O)....
3 4XCB - HY0 C20 H37 N3 O13 CN[C@H]1C[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4XCA - AKG C5 H6 O5 C(CC(=O)O)....
2 4ZPI - SIN C4 H6 O4 C(CC(=O)O)....
3 4XCB - HY0 C20 H37 N3 O13 CN[C@H]1C[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4XCA - AKG C5 H6 O5 C(CC(=O)O)....
2 4ZPI - SIN C4 H6 O4 C(CC(=O)O)....
3 4XCB - HY0 C20 H37 N3 O13 CN[C@H]1C[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HY0; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HY0 1 1
Ligand no: 2; Ligand: AKG; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 SIN 0.526316 0.833333
3 OOG 0.5 0.947368
4 69O 0.458333 0.714286
5 2IT 0.423077 0.615385
6 SHF 0.416667 0.666667
7 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XCB; Ligand: HY0; 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: 4xcb.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4XCB; Ligand: HY0; 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: 4xcb.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4XCB; Ligand: AKG; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 4xcb.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5OX6 A1Z 2.77778
Pocket No.: 4; Query (leader) PDB : 4XCB; Ligand: HY0; 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: 4xcb.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4XCB; Ligand: AKG; 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: 4xcb.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4XCB; Ligand: HY0; 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: 4xcb.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4XCB; Ligand: AKG; 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: 4xcb.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4XCB; Ligand: AKG; 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: 4xcb.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback