Structure of PDB 4gvx Chain C Binding Site BS02

Receptor Information
>4gvx Chain C (length=258) 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
SGYCASKGAQLALTREWAVALREHGVRVNAVIPAEVMTPLYRNWIATFED
PEAKLAEIAAKVPLGRRFTTPDEIADTAVFLLSPRASHTTGEWLFVDGGY
THLDRALV
Ligand information
Ligand IDFUL
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m0/s1
InChIKeySHZGCJCMOBCMKK-KGJVWPDLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
CACTVS 3.341C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namebeta-L-fucopyranose;
beta-L-fucose;
6-deoxy-beta-L-galactopyranose;
L-fucose;
fucose;
6-DEOXY-BETA-L-GALACTOSE
ChEMBLCHEMBL1230861
DrugBankDB03283
ZINCZINC000001532813
PDB chain4gvx Chain C Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4gvx Crystal structure of a short chain dehydrogenase homolog (target EFI-505321) from burkholderia multivorans, with bound NADP and L-fucose
Resolution1.499 Å
Binding residue
(original residue number in PDB)		N94 S140 K141 Q147 Y153 A184 E185 Y191 W194
Binding residue
(residue number reindexed from 1)		N94 S140 K141 Q147 Y153 A184 E185 Y191 W194
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G18 S140 T150 Y153 K157 W194
Catalytic site (residue number reindexed from 1) G18 S140 T150 Y153 K157 W194
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
View graph for
Biological Process
External links
PDB RCSB:4gvx, PDBe:4gvx, PDBj:4gvx
PDBsum4gvx
PubMed
UniProtA0A0H3KNE7|LFUCD_BURM1 L-fucose dehydrogenase (Gene Name=BMULJ_04919)

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