Receptor
PDB id Resolution Class Description Source Keywords
4GVQ 1.3 Å EC: 3.5.4.27 X-RAY STRUCTURE OF THE ARCHAEOGLOBUS FULGIDUS METHENYL- TETRAHYDROMETHANOPTERIN CYCLOHYDROLASE IN COMPLEX WITH T ETRAHYDROMETHANPTERIN ARCHAEOGLOBUS FULGIDUS TETRAHYDROMETHANOPTERIN HYDROLASE
Ref.: STRUCTURE AND CATALYTIC MECHANISM OF N(5),N(10)-METHENYL-TETRAHYDROMETHANOPTERIN CYCLOHY BIOCHEMISTRY V. 51 8435 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
N4M A:401;
B:401;
 Valid;
Valid;
 none;
none;
 submit data
776.683 C30 H45 N6 O16 P C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GVS 1.75 Å EC: 3.5.4.27 X-RAY STRUCTURE OF THE ARCHAEOGLOBUS FULGIDUS METHENYL- TETRAHYDROMETHANOPTERIN CYCLOHYDROLASE IN COMPLEX WITH N5-FT ETRAHYDROMETHANOPTERIN ARCHAEOGLOBUS FULGIDUS N5-FORMYL-TETRAHYDROMETHANOPTERIN HYDROLASE
Ref.: STRUCTURE AND CATALYTIC MECHANISM OF N(5),N(10)-METHENYL-TETRAHYDROMETHANOPTERIN CYCLOHY BIOCHEMISTRY V. 51 8435 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4GVQ - N4M C30 H45 N6 O16 P C[C@H]1[C@....
2 4GVS - F4M C31 H45 N6 O17 P CC1C(N(C2=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4GVQ - N4M C30 H45 N6 O16 P C[C@H]1[C@....
2 4GVS - F4M C31 H45 N6 O17 P CC1C(N(C2=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4GVQ - N4M C30 H45 N6 O16 P C[C@H]1[C@....
2 4GVS - F4M C31 H45 N6 O17 P CC1C(N(C2=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: N4M; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 N4M 1 1
2 F4M 0.727891 0.963415
3 H4Z 0.660131 0.963415
4 E4M 0.565217 0.929412
5 H4M 0.559006 0.897727
Similar Ligands (3D)
Ligand no: 1; Ligand: N4M; 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 : 4GVS; Ligand: F4M; 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: 4gvs.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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