Structure of PDB 1af6 Chain B Binding Site BS01

Receptor Information
>1af6 Chain B (length=421) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDFHGYARSGIGWTGSGGEQQCFQTTGAQSKYRLGNECETYAELKLGQEV
WKEGDKSFYFDTNVAYSVAQQNDWEATDPAFREANVQGKNLIEWLPGSTI
WAGKRFYQRHDVHMIDFYYWDISGPGAGLENIDVGFGKLSLAATRSSEAG
GSSSFASNNIYDYTNETANDVFDVRLAQMEINPGGTLELGVDYGRANLRD
NYRLVDGASKDGWLFTAEHTQSVLKGFNKFVVQYATDSMTSQGKGLSQGS
GVAFDNEKFAYNINNNGHMLRILDHGAISMGDNWDMMYVGMYQDINWDND
NGTKWWTVGIRPMYKWTPIMSTVMEIGYDNVESQRTGDKNNQYKITLAQQ
WQAGDSIWSRPAIRVFATYAKWDEKWGYDYTGNADNNANFGKAVPADFNG
GSFGRGDSDEWTFGAQMEIWW
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 chain1af6 Chain E Residue 1 [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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PDB1af6 Channel specificity: structural basis for sugar discrimination and differential flux rates in maltoporin.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R8 Y41 E43 R109 D116 Y118
Binding residue
(residue number reindexed from 1)		R8 Y41 E43 R109 D116 Y118
Annotation score3
Binding affinityPDBbind-CN: -logKd/Ki=1.82,Kd=15mM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001618 virus receptor activity
GO:0005363 maltose transmembrane transporter activity
GO:0005515 protein binding
GO:0015144 carbohydrate transmembrane transporter activity
GO:0015288 porin activity
GO:0042958 maltodextrin transmembrane transporter activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006974 DNA damage response
GO:0015768 maltose transport
GO:0015774 polysaccharide transport
GO:0034219 carbohydrate transmembrane transport
GO:0042956 maltodextrin transmembrane transport
GO:0046718 symbiont entry into host cell
GO:1904981 maltose transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane
GO:0046930 pore complex
GO:0106234 outer membrane protein complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1af6, PDBe:1af6, PDBj:1af6
PDBsum1af6
PubMed9299337
UniProtP02943|LAMB_ECOLI Maltoporin (Gene Name=lamB)

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