Receptor
PDB id Resolution Class Description Source Keywords
4YT5 1.9 Å EC: 1.-.-.- HMDII FROM METHANOCALDOCOCCUS JANNASCHII WITH BOUND METHYLEN TETRAHYDROMETHANOPTERIN METHANOCALDOCOCCUS JANNASCHII ROSSMANN-LIKE FOLD [FE]-HYDROGENASE PARALOG OXIDOREDUCTASEBINDING PROTEIN
Ref.: TOWARDS A FUNCTIONAL IDENTIFICATION OF CATALYTICALL INACTIVE [FE]-HYDROGENASE PARALOGS. FEBS J. V. 282 3412 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PGE A:401;
 Invalid;
 none;
 submit data
150.173 C6 H14 O4 C(COC...
H4M B:401;
A:402;
 Valid;
Valid;
 none;
none;
 submit data
788.693 C31 H45 N6 O16 P C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YT5 1.9 Å EC: 1.-.-.- HMDII FROM METHANOCALDOCOCCUS JANNASCHII WITH BOUND METHYLEN TETRAHYDROMETHANOPTERIN METHANOCALDOCOCCUS JANNASCHII ROSSMANN-LIKE FOLD [FE]-HYDROGENASE PARALOG OXIDOREDUCTASEBINDING PROTEIN
Ref.: TOWARDS A FUNCTIONAL IDENTIFICATION OF CATALYTICALL INACTIVE [FE]-HYDROGENASE PARALOGS. FEBS J. V. 282 3412 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 4YT5 - H4M C31 H45 N6 O16 P C[C@H]1[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 4YT5 - H4M C31 H45 N6 O16 P C[C@H]1[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 4YT5 - H4M C31 H45 N6 O16 P C[C@H]1[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: H4M; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 H4M 1 1
2 E4M 0.653595 0.94382
3 H4Z 0.645161 0.931818
4 N4M 0.559006 0.897727
5 F4M 0.554878 0.931818
Similar Ligands (3D)
Ligand no: 1; Ligand: H4M; 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 : 4YT5; Ligand: H4M; 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: 4yt5.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4YT5; Ligand: H4M; 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: 4yt5.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback