Structure of PDB 6d7j Chain A Binding Site BS01

Receptor Information
>6d7j Chain A (length=799) Species: 999420 (Parabacteroides merdae CL03T12C32) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAKVPAMNKIRLTNNWEYLKGDLGGIWEAVRPAAPGSSEAVPIWQPVTLP
HCFNAEDAVDPDVNYYEGPGWYKTLLAIDNPYRNGRIVLDFDGAGQKTDV
YVYTTHVGSHVGGYDSWNVDITDAVKAFLGSKDAERFKGKVPLSIRCDNS
RDLEMIPSDLADFNIYGGLYRYLNLVYLPEVSFEQIHLESSLSSNLKEGI
LKVKTSFYNPEDIRKADVTVSVYDVDRKPVFSKTLEGILPLGDQLLAKMK
IKNPVLWDVDVPQLYTCELTVKTPDQTFTTEERFGFRHTEFKDKGPFFLN
GKRLLLRGTHRHEDHAGVAQAMTEDMMRREMRMMKDMGVNFIRLGHYQQS
EIILDLCDELGILVWEEIPWCRGGLGGDVYKKQARRMLANMIVQHHNHPA
VIIWGLGNENDWPNDFNTFDKSAIRAFMKELHDMAHRLDDTRMTAIRRCE
FCNDIVDVYSPSIWAGWYRGVFTDYKSISEQEMQKVKHFLHVEWGGDSHA
RRHSEDAFYNLKNIEGDASLYGGVPRASRDGDWSESYVVRLIDWHLKEQE
TMPWLTGTAYWPFKDFSTPVRPDNPVPYVNQKGVVERDFTPKESYYVFQS
YWTEKPMIHIYGHTWPVRWGGKDDRKEILVYSNCDEVELFVNGVSQGVKR
RNSQDYPAAGLRWNCVYQEGMNEIRAVGVKKKEKKEVSDVIRQEYQTAKW
DKEAACQVSLLSEEGDTALVQVQLIDKNGIRCLSSKKQITFEIAGDGSLI
CNLGTSTGSRKVQAYNGRALIRIKRNEGNSVVAVKSEGLPTAFLELKSP
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain6d7j Chain A Residue 914 [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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PDB6d7j Active site flexibility revealed in crystal structures of Parabacteroides merdae beta-glucuronidase from the human gut microbiome.
Resolution2.24 Å
Binding residue
(original residue number in PDB)		L209 E210 S211 F305 G306 N418 P420
Binding residue
(residue number reindexed from 1)		L188 E189 S190 F284 G285 N397 P399
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6d7j, PDBe:6d7j, PDBj:6d7j
PDBsum6d7j
PubMed30230652
UniProtK5ZWV5

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