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 SRT 1 1
2 TLA 1 1
3 TAR 1 1
4 RAT 0.588235 1
5 GAE 0.588235 1
6 LGT 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: 27
This union binding pocket(no: 1) in the query (biounit: 5b19.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SQL GUN 0.01522 0.40365 None
2 1TUF AZ1 0.01428 0.41672 2.58621
3 1KOJ PAN 0.01289 0.41255 2.58621
4 4R8L ASP 0.0106 0.40183 2.58621
5 2QUN FUD 0.01234 0.40783 3.01724
6 4BHN BH9 0.02153 0.40139 3.01724
7 3AIH BMA MAN MAN 0.006451 0.42198 3.22581
8 2VK4 TPP 0.02303 0.40751 4.74138
9 1U1B PAX 0.02127 0.41563 4.83871
10 4I5I 4I5 0.00776 0.41087 5.17241
11 5U3F 7TS 0.01905 0.40573 5.60345
12 1JZN BGC GAL 0.001971 0.43265 5.92593
13 1EWY FAD 0.01761 0.41208 7.14286
14 5BSR AMP 0.0393 0.41131 7.32759
15 3KA2 2NC 0.02755 0.42535 7.88177
16 3IP8 B85 0.01229 0.40127 8.62069
17 1PWB GLC GLC 0.001543 0.43767 9.60452
18 1TT8 PHB 0.01748 0.41367 10.3659
19 2VVT I24 0.000001489 0.62733 22.8448
20 2VVT DGL 0.0000005582 0.61309 22.8448
21 2JFQ DGL 0.000003275 0.57245 24.1379
22 2DWU DGL 0.000005391 0.55835 25.7246
23 2JFZ DGL 0.000003348 0.64723 25.8621
24 2JFZ 003 0.000003548 0.64583 25.8621
25 1ZUW DGL 0.000001769 0.58132 26.2931
26 2JFN GLU 0.00002146 0.53338 26.2931
27 2GZM DGL 0.000002847 0.57536 29.3103
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