Structure of PDB 4e8c Chain A Binding Site BS01

Receptor Information
>4e8c Chain A (length=594) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRFEIRDDFYLDGKSFKILSGAIHYFRVPPEDWYHSLYNLKALGFNTVET
YVAWNLHEPCEGEFHFEGDLDLEKFLQIAQDLGLYAIVRPSPFICAEWEF
GGLPAWLLTKNMRIRSSDPAYIEAVGRYYDQLLPRLVPRLLDNGGNILMM
QVENEYGSYGEDKAYLRAIRQLMEECGVTCPLFTSDGPWRATLKAGTLIE
EDLFVTGNFGSKAPYNFSQMQEFFDEHGKKWPLMCMEFWDGWFNRWKEPI
ITRDPKELADAVREVLEQGSINLYMFHGGTNFGFMNGCSARGTLDLPQVT
SYDYDALLDEEGNPTAKYLAVKKMMATHFSEYPQLEPLYKESMELDAIPL
VEKVSLFETLDSLSSPVESLYPQKMEELGQSYGYLLYRTETNWDAEEERL
RIIDGRDRAQLYVDGQWVKTQYQTEIGEDIFYQGKKKGLSRLDILIENMG
RVNYGHKFLADTQRKGIRTGVCKDLHFLLNWKHYPLPLDNPEKIDFSKGW
TQGQPAFYAYDFTVEEPKDTYLDLSEFGKGVAFVNGQNLGRFWNVGPTLS
LYIPHSYLKEGANRIIIFETEGQYKEEIHLTRKPTLKHIKGENL
Ligand information
Ligand IDGAL
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-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain4e8c Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4e8c Structural insights into the substrate specificity of Streptococcus pneumoniae beta (1,3)-galactosidase BgaC
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Y52 C96 A97 E98 E156 E238 Y305
Binding residue
(residue number reindexed from 1)		Y51 C95 A96 E97 E155 E237 Y304
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.23: beta-galactosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004565 beta-galactosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005773 vacuole

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4e8c, PDBe:4e8c, PDBj:4e8c
PDBsum4e8c
PubMed22593580
UniProtA0A0H2UN19

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