PDB Entry (5lns) |
||
| ||
PDB ID: 5lns | Resolution: 1.91 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 28092359 | DOI: 10.1038/nchembio.2273 | |
Protein |
|
Protein Name: Pyridoxal 5'-phosphate synthase subunit PDX1.3 | |
Uniprot ID/ACC: Q8L940 (PDX13_ARATH) | Organism: Arabidopsis thaliana (Mouse-ear cress) |
Gene Symbol: PDX13 | Gene ID: 831738 |
Protein Class: LYASE |
Ligand |
||
Ligand Name: RIBOSE-5-PHOSPHATE (linear form) | ||
Canonical SMILES: O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)C=O | ||
Standard InChI: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1 | ||
HET Code: 5RP | PubChem: 77982 | |
DrugBank: DB02053 | ChEMBL: CHEMBL1235597 | |
Molecular Formula: C5H11O8P | Mol. Weight: 230.01915 | logP: -2.6227 |
HBD: 5 | HBA: 6 | |
#Rotatable Bonds: 6 | TPSA: 144.52 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Imine Condensation | LYS 98 | A | 13.13 | 8.92 | Ketone |
Binding Affinity |
||
- |