Structure of PDB 5bvc Chain A Binding Site BS02

Receptor Information
>5bvc Chain A (length=433) Species: 29829 (Lipomyces starkeyi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVLDFTVLGLNSGTSMDGIDCALCHFYQKTPDAPMEFELLEYGEVPLAQP
IKQRVMRMILEDTTSPSELSEVNVILGEHFADAVRQFAAERNVDLSTIDA
IASHGQTIWLLSMPEEGQVKSALTMAEGAILASRTGITSITDFRISDQAA
GRQGAPLIAFFDALLLHHPTKLRACQNIGGIANVCFIPPDVDGRRTDEYY
DFDTGPGNVFIDAVVRHFTNGEQEYDKDGAMGKRGKVDQELVDDFLKMPY
FQLDPPKTTGREVFRDTLAHDLIRRAEAKGLSPDDIVATTTRITAQAIVD
HYRRYAPSQEIDEIFMCGGGAYNPNIVEFIQQSYPNTKIMMLDEAGVPAG
AKEAITFAWQGMEALVGRSIPVPTRVETRQHYVLGKVSPGLNYRSVMKKG
MAFGGDAQQLPWVSEMIVKKKGKVITNNWAGSH
Ligand information
Ligand ID4PW
InChIInChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyTWNIBLMWSKIRAT-VFUOTHLCSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[C@H]1[C@H](O)[C@H]2CO[C@H](O2)[C@@H]1O
OpenEye OEToolkits 1.9.2C1C2C(C(C(C(O1)O2)O)O)O
OpenEye OEToolkits 1.9.2C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O
ACDLabs 12.01OC1C(C2OC(C1O)OC2)O
CACTVS 3.385O[CH]1[CH](O)[CH]2CO[CH](O2)[CH]1O
FormulaC6 H10 O5
NameLevoglucosan;
(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
ChEMBLCHEMBL3138649
DrugBank
ZINCZINC000003881595
PDB chain5bvc Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5bvc Producing Glucose 6-Phosphate from Cellulosic Biomass: STRUCTURAL INSIGHTS INTO LEVOGLUCOSAN BIOCONVERSION.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R153 P165 I190 N192 D212
Binding residue
(residue number reindexed from 1)		R144 P156 I181 N183 D203
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.232: levoglucosan kinase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0046872 metal ion binding
Biological Process
GO:0006040 amino sugar metabolic process
GO:0009254 peptidoglycan turnover
GO:0016310 phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5bvc, PDBe:5bvc, PDBj:5bvc
PDBsum5bvc
PubMed26354439
UniProtB3VI55|LGK_LIPST Levoglucosan kinase

[Back to BioLiP]