Receptor
PDB id Resolution Class Description Source Keywords
5EQU 2.2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF THE EPIMERASE SNON IN COMPLEX WITH FE3+ KETOGLUTARATE AND NOGALAMYCIN RO STREPTOMYCES NOGALATER NONE-HEME IRON SUBSTRATE COMPLEX NOGALAMYCIN BIOSYNTHESISISOMERASE
Ref.: DIVERGENT NON-HEME IRON ENZYMES IN THE NOGALAMYCIN BIOSYNTHETIC PATHWAY. PROC.NATL.ACAD.SCI.USA V. 113 5251 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG B:301;
C:301;
D:301;
A:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
5R6 B:302;
C:302;
D:302;
A:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
699.698 C35 H41 N O14 C[C@H...
FE C:300;
A:300;
D:300;
B:300;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EQU 2.2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF THE EPIMERASE SNON IN COMPLEX WITH FE3+ KETOGLUTARATE AND NOGALAMYCIN RO STREPTOMYCES NOGALATER NONE-HEME IRON SUBSTRATE COMPLEX NOGALAMYCIN BIOSYNTHESISISOMERASE
Ref.: DIVERGENT NON-HEME IRON ENZYMES IN THE NOGALAMYCIN BIOSYNTHETIC PATHWAY. PROC.NATL.ACAD.SCI.USA V. 113 5251 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 5EQU - 5R6 C35 H41 N O14 C[C@H]1[C@....
2 5EP9 - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5EQU - 5R6 C35 H41 N O14 C[C@H]1[C@....
2 5EP9 - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 5EQU - 5R6 C35 H41 N O14 C[C@H]1[C@....
2 5EP9 - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; 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
Ligand no: 2; Ligand: 5R6; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 5R6 1 1
2 3VL 0.432432 0.903226
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EQU; 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: 1) in the query (biounit: 5equ.bio4) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5EQU; Ligand: 5R6; 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: 5equ.bio4) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5EQU; 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: 3) in the query (biounit: 5equ.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5EQU; Ligand: 5R6; 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: 5equ.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5EQU; 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: 5equ.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5EQU; Ligand: 5R6; 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: 5equ.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5EQU; 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: 5equ.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5EQU; Ligand: 5R6; 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: 5equ.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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