PDB Entry (6erc)
PDB ID: 6erc Resolution: 2.5 Å Exp. Method: X-RAY DIFFRACTION
PMID: 29242189 DOI: 10.1074/jbc.RA117.000463
Protein
Protein Name: Peroxinectin A
Uniprot ID/ACC: Q6TMK4 (POXA_DICDI) Organism: Dictyostelium discoideum (Slime mold)
Gene Symbol: poxA Gene ID: 8620966
Protein Class: OXIDOREDUCTASE
Ligand
Ligand Name:   beta-D-mannose
Canonical SMILES:   OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O1)O
Standard InChI:   InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
HET Code:   BMA PubChem:   439680
DrugBank:   - ChEMBL:   CHEMBL1231395
Molecular Formula:   C6H12O6 Mol. Weight:   180.06339 logP:   -3.2214
HBD:   5 HBA:   6
#Rotatable Bonds:   1 TPSA:   110.38
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Nucleophilic Aliphatic Subsititution THR 142 A 52.03 - Hemiacetal
Binding Affinity
-