Receptor
PDB id Resolution Class Description Source Keywords
3C8F 2.25 Å EC: 1.97.1.4 4FE-4S-PYRUVATE FORMATE-LYASE ACTIVATING ENZYME WITH PARTIAL DISORDERED ADOMET ESCHERICHIA COLI ADOMET RADICAL SAM RADICAL ACTIVASE GLYCYL RADICAL CARBOMETABOLISM GLUCOSE METABOLISM IRON IRON-SULFUR METAL-BIOXIDOREDUCTASE S-ADENOSYL-L-METHIONINE
Ref.: STRUCTURAL BASIS FOR GLYCYL RADICAL FORMATION BY PY FORMATE-LYASE ACTIVATING ENZYME. PROC.NATL.ACAD.SCI.USA V. 105 16137 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MT2 A:501;
 Valid;
 none;
 submit data
178.272 C7 H16 N O2 S CC[S@...
PGE A:502;
 Invalid;
 none;
 submit data
150.173 C6 H14 O4 C(COC...
SF4 A:500;
 Part of Protein;
 none;
 submit data
351.64 Fe4 S4 [S]12...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3C8F 2.25 Å EC: 1.97.1.4 4FE-4S-PYRUVATE FORMATE-LYASE ACTIVATING ENZYME WITH PARTIAL DISORDERED ADOMET ESCHERICHIA COLI ADOMET RADICAL SAM RADICAL ACTIVASE GLYCYL RADICAL CARBOMETABOLISM GLUCOSE METABOLISM IRON IRON-SULFUR METAL-BIOXIDOREDUCTASE S-ADENOSYL-L-METHIONINE
Ref.: STRUCTURAL BASIS FOR GLYCYL RADICAL FORMATION BY PY FORMATE-LYASE ACTIVATING ENZYME. PROC.NATL.ACAD.SCI.USA V. 105 16137 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3C8F - MT2 C7 H16 N O2 S CC[S@@+](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3C8F - MT2 C7 H16 N O2 S CC[S@@+](C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3C8F - MT2 C7 H16 N O2 S CC[S@@+](C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MT2; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MT2 1 1
2 NVA 0.484848 0.657143
3 NLE 0.432432 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: MT2; Similar ligands found: 24
No: Ligand Similarity coefficient
1 MHO 0.9137
2 ONL 0.9016
3 GLN 0.9012
4 MSE 0.9007
5 AKG 0.8999
6 SEP 0.8990
7 GLU 0.8980
8 HGA 0.8893
9 9ON 0.8822
10 LYS 0.8788
11 MET 0.8761
12 7BC 0.8760
13 GP9 0.8720
14 3PG 0.8697
15 HL5 0.8696
16 ILO 0.8695
17 ARG 0.8680
18 13P 0.8649
19 PPY 0.8609
20 TIH 0.8602
21 HPV 0.8600
22 HFA 0.8585
23 G3P 0.8583
24 DPN 0.8564
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3C8F; Ligand: MT2; 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: 3c8f.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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