Structure of PDB 4gkb Chain A Binding Site BS01

Receptor Information
>4gkb Chain A (length=247) Species: 395019 (Burkholderia multivorans ATCC 17616) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDLNLQDKVVIVTGGASGIGGAISMRLAEERAIPVVFARHAPDGAFLDAL
AQRQPRATYLPVELQDDAQCRDAVAQTIATFGRLDGLVNNAGVNDGIGLD
AGRDAFVASLERNLIHYYAMAHYCVPHLKATRGAIVNISSKTAVTGQGNT
SGYCASKGAQLALTREWAVALREHGVRVNAVIPAEVMTPLYAKLAEIAAK
VPLGRRFTTPDEIADTAVFLLSPRASHTTGEWLFVDGGYTHLDRALV
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4gkb Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4gkb Crystal structure of a short chain dehydrogenase homolog (target efi-505321) from burkholderia multivorans, unliganded structure
Resolution1.5 Å
Binding residue
(original residue number in PDB)		P234 S237
Binding residue
(residue number reindexed from 1)		P223 S226
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G18 S140 T150 Y153 K157
Catalytic site (residue number reindexed from 1) G18 S140 T150 Y153 K157
Enzyme Commision number 1.1.1.435: L-fucose dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004316 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0006004 fucose metabolic process
GO:0019317 fucose catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4gkb, PDBe:4gkb, PDBj:4gkb
PDBsum4gkb
PubMed
UniProtA0A0H3KNE7|LFUCD_BURM1 L-fucose dehydrogenase (Gene Name=BMULJ_04919)

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