Receptor
PDB id Resolution Class Description Source Keywords
1VB3 2.2 Å EC: 4.2.3.1 CRYSTAL STRUCTURE OF THREONINE SYNTHASE FROM ESCHERICHIA COLI ESCHERICHIA COLI PLP-DEPENDENT ENZYME LYASE
Ref.: CRYSTAL STRUCTURE OF THREONINE SYNTHASE FROM ESCHERICHIA COLI TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KPA A:500;
Valid;
none;
submit data
196.095 C5 H9 O6 P C(CC(...
SO4 A:501;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VB3 2.2 Å EC: 4.2.3.1 CRYSTAL STRUCTURE OF THREONINE SYNTHASE FROM ESCHERICHIA COLI ESCHERICHIA COLI PLP-DEPENDENT ENZYME LYASE
Ref.: CRYSTAL STRUCTURE OF THREONINE SYNTHASE FROM ESCHERICHIA COLI TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VB3 - KPA C5 H9 O6 P C(CC(=O)C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VB3 - KPA C5 H9 O6 P C(CC(=O)C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VB3 - KPA C5 H9 O6 P C(CC(=O)C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KPA; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 KPA 1 1
2 PPR 0.5 0.875
3 OOG 0.451613 0.612903
4 3PP 0.448276 0.870968
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VB3; Ligand: KPA; Similar sites found: 28
This union binding pocket(no: 1) in the query (biounit: 1vb3.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DNC ASN 0.004268 0.41527 2.1028
2 2HIM ASP 0.009531 0.40588 2.23464
3 1CX4 CMP 0.02198 0.4016 2.29508
4 3HQP FDP 0.005091 0.42472 2.33645
5 4R8L ASP 0.008264 0.41177 2.33766
6 4Q3F TLA 0.007862 0.42115 2.5641
7 3IT7 TLA 0.01539 0.41036 3.2967
8 4HEQ FMN 0.02031 0.40517 3.42466
9 4FK7 P34 0.0149 0.41163 3.93013
10 2ZX2 RAM 0.01043 0.4075 4.10256
11 3VC3 C6P 0.002489 0.46237 4.36047
12 2WFG ZZB 0.01884 0.40684 4.5977
13 2P0D I3P 0.005246 0.43679 4.65116
14 1DL2 NAG NAG BMA 0.01326 0.40038 4.89237
15 5IXJ THR 0.003256 0.46207 5.05051
16 1AG9 FMN 0.01127 0.41825 5.14286
17 3F6R FMN 0.006856 0.4273 5.40541
18 3L6R MLI 0.00004271 0.47429 5.49133
19 3IHB GLU 0.01347 0.40236 6.07477
20 4JBL MET 0.001778 0.44141 7.00935
21 3C8F MT2 0.004695 0.42524 7.34694
22 1G8S MET 0.006219 0.41848 7.3913
23 1CZR FMN 0.01617 0.41024 7.69231
24 1D6S MET PLP 0.01076 0.42608 8.69565
25 1D6S PLP MET 0.01202 0.42199 8.69565
26 5I7A 68Q 0.0003102 0.40699 13.4969
27 3GCM 5GP 0.003765 0.45273 24.3902
28 3L6C MLI 0.000005518 0.57483 28.0236
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