Structure of PDB 4jkl Chain B Binding Site BS01

Receptor Information
>4jkl Chain B (length=587) Species: 208435 (Streptococcus agalactiae 2603V/R) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAMLYPLLTKTRNTYDLGGIWNFKLGEHNPNELLPSDEVMVIPTSFNDLM
VSKEKRDYIGDFWYEKVIEVPKVSEDEEMVLRFGSVTHQAKIYVDGVLVG
EHKGGFTPFEVLVPECKYNNEKIKVSICANNVLDYTTLPVGNYSEIIQED
GSIKKKVRENFDFFNYAGVHRPLKLMIRPKNHIFDITITSRLSDDLQSAD
LHFLVETNQKVDEVRISVFDEDNKLVGETKDSRLFLSDVHLWEVLNAYLY
TARVEIFVDNQLQDVYEENFGLREIEVTNGQFLLNRKPIYFKGFGKHEDT
FINGRGLNEAANLMDLNLLKDMGANSFRTSHYPYSEEMMRLADRMGVLVI
DEVPAVGLFQNNGTWNLMQTKAAHEQAIQELVKRDKNHPSVVMWVVANEP
ASHEAGAHDYFEPLVKLYKDLDPQKRPVTLVNILMATPDRDQVMDLVDVV
CLNRYYGWYVDHGDLTNAEVGIRKELLEWQDKFPDKPIIITEYGADTLPG
LHSTWNIPYTEEFQCDFYEMSHRVFDGIPNLVGEQVWNFADFETNLMILR
VQGNHKGLFSRNRQPKQVVKEFKKRWMTIPHYHNKKN
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4jkl Chain B Residue 601 [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]
PDB4jkl Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Resolution2.288 Å
Binding residue
(original residue number in PDB)		R463 Y465
Binding residue
(residue number reindexed from 1)		R454 Y456
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D160 H295 H329 V354 L356 E408 Y464 E501 K565
Catalytic site (residue number reindexed from 1) D162 H297 H331 V356 L358 E399 Y455 E492 K556
Enzyme Commision number 3.2.1.31: beta-glucuronidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004565 beta-galactosidase activity
GO:0004566 beta-glucuronidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4jkl, PDBe:4jkl, PDBj:4jkl
PDBsum4jkl
PubMed26364932
UniProtQ8E0N2|BGLR_STRA5 Beta-glucuronidase (Gene Name=SAG0698)

[Back to BioLiP]