Receptor
PDB id Resolution Class Description Source Keywords
1LT8 2.05 Å EC: 2.1.1.5 REDUCED HOMO SAPIENS BETAINE-HOMOCYSTEINE S- METHYLTRANSFERASE IN COMPLEX WITH S-(DELTA-CARBOXYBUTYL)-L-H OMOCYSTEINE HOMO SAPIENS TRANSFERASE HOMOCYSTEINE METABOLISM HOMOCYSTEINEMIA ZINCTHIOL ALKYL TRANSFER
Ref.: BETAINE-HOMOCYSTEINE METHYLTRANSFERASE: ZINC IN A DISTORTED BARREL. STRUCTURE V. 10 1159 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CBH A:601;
B:602;
Valid;
Valid;
none;
none;
submit data
235.301 C9 H17 N O4 S C(CCS...
CIT A:701;
B:702;
Valid;
Valid;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
ZN A:501;
B:502;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4M3P 1.9 Å EC: 2.1.1.5 BETAINE-HOMOCYSTEINE S-METHYLTRANSFERASE FROM HOMO SAPIENS C WITH HOMOCYSTEINE HOMO SAPIENS ALPHA AND BETA PROTEINS (A/B) TIM BETA/ALPHA-BARREL METHYLTRANSFERASE ACTIVITY HOMOCYSTEINE S-METHYLTRANSFERASACTIVITY TRANSFERASE ACTIVITY METAL ION BINDING BETAINE-HOMOCYSTEINE S-METHYLTRANSFERASE ACTIVITY PROTEIN COMPLEX BETAINE HOMOCYSTEINE TRANSFERASE
Ref.: SPECIFIC POTASSIUM ION INTERACTIONS FACILITATE HOMO BINDING TO BETAINE-HOMOCYSTEINE S-METHYLTRANSFERASE PROTEINS V. 82 2552 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1LT8 - CIT C6 H8 O7 C(C(=O)O)C....
2 4M3P - HCS C4 H9 N O2 S C(CS)[C@@H....
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 1LT8 - CIT C6 H8 O7 C(C(=O)O)C....
2 4M3P - HCS C4 H9 N O2 S C(CS)[C@@H....
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 1LT8 - CIT C6 H8 O7 C(C(=O)O)C....
2 4M3P - HCS C4 H9 N O2 S C(CS)[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CBH; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 CBH 1 1
2 NPI 0.5 0.83871
3 UN1 0.452381 0.806452
4 11C 0.452381 0.806452
5 MED 0.418605 0.685714
6 MET 0.418605 0.685714
7 DGL 0.414634 0.774194
8 GLU 0.414634 0.774194
9 GGL 0.414634 0.774194
Ligand no: 2; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4M3P; Ligand: HCS; 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: 4m3p.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4M3P; Ligand: HCS; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 4m3p.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 3BOF HCS 31.7734
Pocket No.: 3; Query (leader) PDB : 4M3P; Ligand: HCS; 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: 4m3p.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4M3P; Ligand: HCS; Similar sites found with APoc: 4
This union binding pocket(no: 4) in the query (biounit: 4m3p.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1Q8A HCS 31.5271
2 1Q8A HCS 31.5271
3 3BOF HCS 31.7734
4 3BOF HCS 31.7734
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