Structure of PDB 6phy Chain A Binding Site BS02

Receptor Information
>6phy Chain A (length=721) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMGVRIENNLFYVESKNLSLIIENRNGYLLLKHLGKTIKNYKGSNSVYER
DHAFSGNPTATNRTFSLDTQRQIFGQHGLGDFRKPTIQVQHSVTEVTDFR
FVEAKILKGQNGPQGLPSPHSMDDTETLVLMLEDSKAQLSLTLYYTTFNN
DATIASYSKLDNNSNQEVVIHKDFSFMADFPAADYEIVTLQGAYAREKTV
RRQQVEQGIFSISSNRGASGHAQTPALLLCEQGVTEDAGNVFAIQLMYSG
NFEAFVQKNQLNEVRVAIGINPENFSWKLAPEEYFETPVALVTHSDQGLT
GISHESQNFVLKHIMLSEFSKKERPILINNWEATYFDFQREKLLELADEA
KKVGIELFVLDDGWFGNRFDDNRALGDWVVNEEKLGGSLESLISAIHERG
LQFGLWLEPEMISVDSDLYRQHPDWAIQVPGYEHTYSRNQLVLNLANPQV
VEYLKSVLDQLLFYHDIDYIKWNMNRNITKLGNGLTYLETQMQSHQYMLG
LYELVSYLTEKHSHILFESCSGGGGRNDLGMMRYFPQVWASDNTDAIARL
PIQYGSSYLYPTISMGAHVSAVPNHQMGRMTPLETRGLVAMMGNLGYELD
LTNLSDEEKATIANQVNLYKELRPVVQLGQQYRLINPDTVSNEAAVQFNY
GNQTIVTYVRVLSVVETMETTLKLKDLDEEGLYKLQENGEVYSGAELMYA
GLTVILSQGDFLSRQYIFRKL
Ligand information
Ligand IDGLA
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-PHYPRBDBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
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
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE
ChEMBLCHEMBL1233058
DrugBank
ZINCZINC000000901155
PDB chain6phy Chain B 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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PDB6phy Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		W330 D360 D361 W405 R437 K470 N474 C519 G521 W538 D541
Binding residue
(residue number reindexed from 1)		W331 D361 D362 W406 R438 K471 N475 C520 G522 W539 D542
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.1.22: alpha-galactosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004557 alpha-galactosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0016052 carbohydrate catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6phy, PDBe:6phy, PDBj:6phy
PDBsum6phy
PubMed31591266
UniProtA0A0H2URQ6

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