Receptor
PDB id Resolution Class Description Source Keywords
3IQE 1.8 Å EC: 1.5.99.9 STRUCTURE OF F420 DEPENDENT METHYLENE-TETRAHYDROMETHANOPTERI DEHYDROGENASE IN COMPLEX WITH METHYLENE-TETRAHYDROMETHANOPTC OENZYME F420 METHANOPYRUS KANDLERI TERNARY COMPLEX OF PROTEIN SUBSTRATE AND CO-SUBSTRATE METHANOGENESIS ONE-CARBON METABOLISM OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS OF THE HYDRIDE TRANSFER MECHANISM F(420)-DEPENDENT METHYLENETETRAHYDROMETHANOPTERIN DEHYDROGENASE BIOCHEMISTRY V. 48 10098 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:286;
B:287;
C:286;
D:286;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
F42 A:285;
B:285;
C:285;
D:285;
E:285;
F:285;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
773.593 C29 H36 N5 O18 P C[C@@...
H4M A:284;
B:284;
C:284;
D:284;
E:284;
F:284;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
788.693 C31 H45 N6 O16 P C[C@H...
NA C:287;
D:287;
E:286;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IQE 1.8 Å EC: 1.5.99.9 STRUCTURE OF F420 DEPENDENT METHYLENE-TETRAHYDROMETHANOPTERI DEHYDROGENASE IN COMPLEX WITH METHYLENE-TETRAHYDROMETHANOPTC OENZYME F420 METHANOPYRUS KANDLERI TERNARY COMPLEX OF PROTEIN SUBSTRATE AND CO-SUBSTRATE METHANOGENESIS ONE-CARBON METABOLISM OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS OF THE HYDRIDE TRANSFER MECHANISM F(420)-DEPENDENT METHYLENETETRAHYDROMETHANOPTERIN DEHYDROGENASE BIOCHEMISTRY V. 48 10098 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3IQZ - H4M C31 H45 N6 O16 P C[C@H]1[C@....
2 3IQE - F42 C29 H36 N5 O18 P C[C@@H](C(....
3 3IQF - E4M C31 H44 N6 O16 P C[C@H]1[C@....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3IQZ - H4M C31 H45 N6 O16 P C[C@H]1[C@....
2 3IQE - F42 C29 H36 N5 O18 P C[C@@H](C(....
3 3IQF - E4M C31 H44 N6 O16 P C[C@H]1[C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3IQZ - H4M C31 H45 N6 O16 P C[C@H]1[C@....
2 3IQE - F42 C29 H36 N5 O18 P C[C@@H](C(....
3 3IQF - E4M C31 H44 N6 O16 P C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: F42; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 6J4 1 1
2 F42 1 1
3 FO1 0.508333 0.833333
4 HDF 0.508333 0.833333
Ligand no: 2; 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 Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IQE; Ligand: F42; 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: 3iqe.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3IQE; Ligand: F42; 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: 3iqe.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3IQE; Ligand: F42; 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: 3iqe.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3IQE; 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: 4) in the query (biounit: 3iqe.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3IQE; Ligand: F42; 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: 3iqe.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3IQE; 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: 6) in the query (biounit: 3iqe.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3IQE; 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: 7) in the query (biounit: 3iqe.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3IQE; 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: 8) in the query (biounit: 3iqe.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3IQE; 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: 9) in the query (biounit: 3iqe.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3IQE; Ligand: F42; 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: 3iqe.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3IQE; Ligand: F42; 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: 3iqe.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3IQE; 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: 12) in the query (biounit: 3iqe.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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