Receptor
PDB id Resolution Class Description Source Keywords
5B19 1.85 Å EC: 5.1.1.13 PICROPHILUS TORRIDUS ASPARTATE RACEMASE PICROPHILUS TORRIDUS (STRAIN ATCC 70009790 / JCM 10055 / NBRC 100828) ASPARTATE RACEMASE PICROPHILUS TORRIDUS ARCHAEA D-AMINO AISOMERASE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF ASPAR RACEMASE FROM THE ACIDOTHERMOPHILIC ARCHAEON PICROP TORRIDUS EXTREMOPHILES V. 20 385 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TLA A:301;
Valid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5B19 1.85 Å EC: 5.1.1.13 PICROPHILUS TORRIDUS ASPARTATE RACEMASE PICROPHILUS TORRIDUS (STRAIN ATCC 70009790 / JCM 10055 / NBRC 100828) ASPARTATE RACEMASE PICROPHILUS TORRIDUS ARCHAEA D-AMINO AISOMERASE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF ASPAR RACEMASE FROM THE ACIDOTHERMOPHILIC ARCHAEON PICROP TORRIDUS EXTREMOPHILES V. 20 385 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5B19 - TLA C4 H6 O6 [C@@H]([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5B19 - TLA C4 H6 O6 [C@@H]([C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5B19 - TLA C4 H6 O6 [C@@H]([C@....
2 2DX7 - CIT C6 H8 O7 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 TAR 1 1
2 TLA 1 1
3 SRT 1 1
4 RAT 0.588235 1
5 LGT 0.588235 1
6 GAE 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5B19; Ligand: TLA; 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: 5b19.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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