Structure of PDB 4khz Chain F Binding Site BS02

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 3 [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)		Y325 S329 N376 L379 G380 N437
Binding residue
(residue number reindexed from 1)		Y303 S307 N354 L357 G358 N415
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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