Structure of PDB 1pyy Chain A Binding Site BS01

Receptor Information
>1pyy Chain A (length=607) Species: 171101 (Streptococcus pneumoniae R6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAKRGTIYDRNGVPIAEDATSYNVYANKVAEVFHKYLDMEESYVREQLVS
FGAKGNGITYANMMSPNRSYPNGQFASSFIGLAQLHENEDGSKSLLGTSG
MESSLNSILAGTDDGKDVYTTISSPLQSFMETQMDAFQEKVKGKYMTATL
VSAKTGEILATTQRPTFDADTKEGITEDFVWRDILYQSNYEPGSAFKVMM
LAAAIDNNTFPGGEVFNSSELKIADATIRDWDVNEGLTGGRMMTFSQGFA
HSSNVGMTLLEQKMGDATWLDYLNRFKFGVPTRFGLTDEYAGQLPADNIV
NIAQSSFGQGISVTQTQMIRAFTAIANDGVMLEPKFISAIYDPNDQTARK
SQKEIVGNPVSKDAASLTRTNMVLVGTDPVYGTMYNHSTGKPTVTVPGQN
VALKSGTAQIADEKNGGYLVGLTDYIFSAVSMSPAENPDFILYVTVQQPE
HYSGIQLGEFANPILERASAMKDSLNLQTTAKALEQVSQQSPYPMPSVKD
ISPGDLAEELRRNLVQPIVVGTGTKIKNSSAEEGKNLAPNQQVLILSDKA
EEVPDMYGWTKETAETLAKWLNIELEFQGSGSTVQKQDVRANTAIKDIKK
ITLTLGD
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 chain1pyy Chain B Residue 1 [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]
PDB1pyy The Structural Modifications Induced by the M339F Substitution in PBP2x from Streptococcus pneumoniae Further Decreases the Susceptibility to beta-Lactams of Resistant Strains
Resolution2.42 Å
Binding residue
(original residue number in PDB)		A369 T370
Binding residue
(residue number reindexed from 1)		A226 T227
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008658 penicillin binding
Biological Process
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0046677 response to antibiotic
GO:0051301 cell division
GO:0071555 cell wall organization
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1pyy, PDBe:1pyy, PDBj:1pyy
PDBsum1pyy
PubMed12923202
UniProtP59676|PBPX_STRR6 Penicillin-binding protein 2X (Gene Name=pbpX)

[Back to BioLiP]