Structure of PDB 4xwz Chain A Binding Site BS03

Receptor Information
>4xwz Chain A (length=438) Species: 746128 (Aspergillus fumigatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ILSTESSIIVIGAGTWGCSTALHLARRGYKDVTVLDPHPVPSPIAAGNDI
NKIMEHSELKDGSSDPRSAAFSTFTRAALKAWKTDPVFQPYFHETGFIIS
GHTPALIDHIRKDEVEPSETNFVKLETAEDFRRTMPPGVLTGDFPGWKGW
LHKSGAGWIHAKKAMISAFNEAKRLGVRFVTGSPEGNVVSLVYEDGDVVG
ARTADGRVHKAHRTILSAGAGSDSLLDFKKQLRPTAWTLCHIQMGPEEVK
QYRNLPVLFNIAKGFFMEPDEDKHELKICDEHPGYCNFLPDPNRPGQEKS
VPFAKHQIPLEAEARARDFLHDTMPHLADRPLSFARICWDADTPDRAFLI
DRHPEHPSLLVAVGGSGNGAMQMPTIGGFIADALESKLQKEVKDIVRWRP
ETAVDRDWRATQNRFGGPDRIMDFQQVGEDQWTKIGES
Ligand information
Ligand IDBDF
InChIInChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyLKDRXBCSQODPBY-ARQDHWQXSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O
ACDLabs 10.04OC1C(O)(OCC(O)C1O)CO
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)(CO)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-fructopyranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBL
DrugBank
ZINCZINC000003861095
PDB chain4xwz Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4xwz Crystal structure of the deglycating enzyme Amadoriase I in its free form and substrate-bound complex.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		W241 F269 E285 G371 R418
Binding residue
(residue number reindexed from 1)		W237 F265 E281 G367 R414
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N52 N55 K56
Catalytic site (residue number reindexed from 1) N48 N51 K52
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008115 sarcosine oxidase activity
GO:0016491 oxidoreductase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0051698 saccharopine oxidase activity

View graph for
Molecular Function
External links
PDB RCSB:4xwz, PDBe:4xwz, PDBj:4xwz
PDBsum4xwz
PubMed26873906
UniProtO42629

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