Structure of PDB 2glx Chain B Binding Site BS01

Receptor Information
>2glx Chain B (length=332) Species: 106592 (Ensifer adhaerens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRWGLIGASTIAREWVIGAIRATGGEVVSMMSTSAERGAAYATENGIGKS
VTSVEELVGDPDVDAVYVSTTNELHREQTLAAIRAGKHVLCEKPLAMTLE
DAREMVVAAREAGVVLGTNHHLRNAAAHRAMRDAIAEGRIGRPIAARVFH
AVYLPPHLQGWRLERPEAGGGVILDITVHDADTLRFVLNDDPAEAVAISH
SAGMGKEGVEDGVMGVLRFQSGVIAQFHDAFTTKFAETGFEVHGTEGSLI
GRNVMTQKPVGTVTLRNAEGESQLPLDPANLYETALAAFHSAIEGHGQPS
ATGEDGVWSLATGLAVVKAAATGQAAEIETGL
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain2glx Chain B Residue 2502 [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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PDB2glx Crystal Structure of NADP(H)-Dependent 1,5-Anhydro-d-fructose Reductase from Sinorhizobium morelense at 2.2 A Resolution: Construction of a NADH-Accepting Mutant and Its Application in Rare Sugar Synthesis
Resolution2.2 Å
Binding residue
(original residue number in PDB)		K94 H180 Q258
Binding residue
(residue number reindexed from 1)		K93 H179 Q257
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K94 H180
Catalytic site (residue number reindexed from 1) K93 H179
Enzyme Commision number 1.1.1.292: 1,5-anhydro-D-fructose reductase (1,5-anhydro-D-mannitol-forming).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0033712 1,5-anhydro-D-fructose reductase (1,5-anhydro-D-mannitol-forming) activity

View graph for
Molecular Function
External links
PDB RCSB:2glx, PDBe:2glx, PDBj:2glx
PDBsum2glx
PubMed16906761
UniProtQ2I8V6|AFR_ENSAD 1,5-anhydro-D-fructose reductase (Gene Name=afr)

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