Structure of PDB 4khz Chain F Binding Site BS01

Receptor Information
>4khz Chain F (length=483) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVLGLLGLLVGYLVVLMYAQGEYLFAITTLILSSAGLYIFANRKAYAWRY
VYPGMAGMGLFVLFPLVCTIAIAFTNYSSTNQLTFERAQEVLLDRSWQAG
KTYNFGLYPAGDEWQLALSDGETGKNYLSDAFKFGGEQKLQLKETTAQPE
GERANLRVITQNRQALSDITAILPDGNKVMMSSLRQFSGTQPLYTLDGDG
TLTNNQSGVKYRPNNQIGFYQSITADEKLSPGYTVTTGWKNFTRVFTDEG
IQKPFLAIFVWTVVFSLITVFLTVAVGMVLACLVQWEALRGKAVYRVLLI
LPYAVPSFISILIFKGLFNQSFGEINMMLSALFGVKPAWFSDPTTARTML
IIVNTWLGYPYMMILCMGLLKAIPDDLYEASAMDGAGPFQNFFKITLPLL
IKPLTPLMIASFAFNFNNFVLIQLLTNGGPDRLGTTTPAGYTDLLVNYTY
RIAFEGGGGQDFGLAAAIATLIFLLVGALAIVN
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain4khz Chain D Residue 2 [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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PDB4khz Structural basis for substrate specificity in the Escherichia coli maltose transport system.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		Y383 S433 F436
Binding residue
(residue number reindexed from 1)		Y361 S411 F414
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0015423 ABC-type maltose transporter activity
Biological Process
GO:0006974 DNA damage response
GO:0015768 maltose transport
GO:0034763 negative regulation of transmembrane transport
GO:0042956 maltodextrin transmembrane transport
GO:0055085 transmembrane transport
GO:1902344 negative regulation of maltose transport
GO:1904981 maltose transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:1990060 maltose transport complex
GO:1990154 enzyme IIA-maltose transporter complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4khz, PDBe:4khz, PDBj:4khz
PDBsum4khz
PubMed24145421
UniProtP02916|MALF_ECOLI Maltose/maltodextrin transport system permease protein MalF (Gene Name=malF)

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