Structure of PDB 8y46 Chain A Binding Site BS01

Receptor Information
>8y46 Chain A (length=251) Species: 863372 (Herbaspirillum huttiense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STGRLAGKTVLITAAAQGIGRASTELFAREGARVIATDISKTHLEELASI
AGVETHLLDVTDDDAIKALVAKVGTVDVLFNCAGYVAAGNILECDDKAWD
FSFNLNAKAMFHTIRAVLPGMLAKKAGSIVNIASAASSVKGVANRFAYGA
SKAAVVGLTKSVAADFVSQGIRCNAICPGTIESPSLNQRISTQAKETGKS
EDEVRAAFVARQPMGRIGKAEEVAALALYLASDESNFTTGSIHMIDGGWS
N
Ligand information
Ligand IDA1LXA
InChIInChI=1S/C6H10O5/c1-3-4(7)2-6(10,11-3)5(8)9/h3-4,7,10H,2H2,1H3,(H,8,9)/t3-,4-,6-/m0/s1
InChIKeyYHDMJIUDFRWPAD-FKZODXBYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H]1[C@H](C[C@](O1)(C(=O)O)O)O
CACTVS 3.385C[CH]1O[C](O)(C[CH]1O)C(O)=O
CACTVS 3.385C[C@@H]1O[C@@](O)(C[C@@H]1O)C(O)=O
OpenEye OEToolkits 2.0.7CC1C(CC(O1)(C(=O)O)O)O
FormulaC6 H10 O5
NameL-2-keto-3-deoxyfuconate;
(2~{S},4~{S},5~{S})-5-methyl-2,4-bis(oxidanyl)oxolane-2-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8y46 Chain A Residue 302 [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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PDB8y46 Crystal structure of L-2-keto-3-deoxyfuconate 4-dehydrogenase reveals a unique binding mode as a alpha-furanosyl hemiketal of substrates.
Resolution1.29 Å
Binding residue
(original residue number in PDB)		R148 Y151 R192 R214 W252
Binding residue
(residue number reindexed from 1)		R145 Y148 R189 R211 W249
Annotation score1
External links