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 MET 0.418605 0.685714
6 MED 0.418605 0.685714
7 DGL 0.414634 0.774194
8 GGL 0.414634 0.774194
9 GLU 0.414634 0.774194
Ligand no: 2; Ligand: CIT; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 HCA 0.576923 0.884615
3 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: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4M3P; Ligand: HCS; Similar sites found: 14
This union binding pocket(no: 2) in the query (biounit: 4m3p.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2J5V PCA 0.01159 0.40401 2.7248
2 5E5U MLI 0.002783 0.43108 3.51759
3 3JUC PCA 0.0227 0.40459 3.92157
4 3W9F I3P 0.03931 0.40096 4.23077
5 4TO8 FLC 0.009492 0.41954 4.45205
6 3BY9 SIN 0.0133 0.41769 5
7 1J78 OLA 0.01462 0.41584 5.66502
8 5LNE A2G GAL 0.01555 0.41063 6.09756
9 1D8C GLV 0.008946 0.44697 8.37438
10 1P7T PYR 0.01728 0.42532 8.37438
11 1GXU 2HP 0.01213 0.4451 8.79121
12 2VOH CIT 0.008247 0.44853 9.55414
13 1Q8A HCS 0.00000005626 0.69999 31.5271
14 3BOF HCS 0.00000006874 0.69533 31.7734
Pocket No.: 3; Query (leader) PDB : 4M3P; Ligand: HCS; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4M3P; Ligand: HCS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4m3p.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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