Structure of PDB 7dyr Chain F Binding Site BS01

Receptor Information
>7dyr Chain F (length=274) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKKLTQSDIRGVFLRSNLFQGSWNFERMQALGFCFSMVPAIRRLYPENNE
ARKQAIRRHLEFFNTQPFVAAPILGVTLALEEQRANGAEIDDGAINGIKV
GLMGPLAGVGDPIFWGTVRPVFAALGAGIAMSGSLLGPLLFFILFNLVRL
ATRYYGVAYGYSKGIDIVKDMGGGFLQKLTEGASILGLFVMGALVNKWTH
VNIPLVVSRITDQTGKEHVTTVQTILDQLMPGLVPLLLTFACMWLLRKKV
NPLWIIVGFFVIGIAGYACGLLGL
Ligand information
Ligand IDMAN
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(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
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain7dyr Chain F Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dyr Structure of the mannose phosphotransferase system (man-PTS) complexed with microcin E492, a pore-forming bacteriocin.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		Q32 W35 Q41 N76 T77 D123 W127
Binding residue
(residue number reindexed from 1)		Q20 W23 Q29 N64 T65 D111 W115
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0022870 protein-N(PI)-phosphohistidine-mannose phosphotransferase system transporter activity
Biological Process
GO:0009401 phosphoenolpyruvate-dependent sugar phosphotransferase system
GO:0015761 mannose transmembrane transport
GO:0015764 N-acetylglucosamine transport
GO:0098708 D-glucose import across plasma membrane
GO:1990539 fructose import across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:1902495 transmembrane transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7dyr, PDBe:7dyr, PDBj:7dyr
PDBsum7dyr
PubMed33820910
UniProtP69805|PTND_ECOLI PTS system mannose-specific EIID component (Gene Name=manZ)

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