Structure of PDB 6d7j Chain D Binding Site BS01

Receptor Information
>6d7j Chain D (length=787) Species: 999420 (Parabacteroides merdae CL03T12C32) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAKVPAMNKIRLTNNWEYLKGDLGGIWEAVRPAAPGSSEAVPIWQPVTL
PHCFNAEDAVDPDVNYYEGPGWYKTLLAIDNPYRNGRIVLDFDGAGQKTD
VYVYTTHVGSHVGGYDSWNVDITDAVKAFLGSKDAERFKGKVPLSIRCDN
SRDLEMIPSDLADFNIYGGLYRYLNLVYLPEVSFEQIHLESSLSSNLKEG
ILKVKTSFYNPEDIRKADVTVSVYDVDRKPVFSKTLEGILPLGDQLLAKM
KIKNPVLWDVDVPQLYTCELTVKTPDQTFTTEERFGFRHTEFKDKGPFFL
NGKRLLLRGTHRHEDHAGVAQAMTEDMMRREMRMMKDMGVNFIRLGHYQQ
SEIILDLCDELGILVWEEIPWCRGGLGGDVYKKQARRMLANMIVQHHNHP
AVIIWGLGNENDWPNDFNTFDKSAIRAFMKELHDMAHRLDDTRMTAIRRC
EFCNDIVDVYSPSIWAGWYRGVFTDYKSISEQEMQKVKHFLHVEWGGDSH
ARRHSEDAFYNLKPRASRDGDWSESYVVRLIDWHLKEQETMPWLTGTAYW
PFKDFSTPVRPDNPVPYVNQKGVVERDFTPKESYYVFQSYWTEKPMIHIY
GHTWPVRWGGKDDRKEILVYSNCDEVELFVNGVSQGVKRRNSQDYPAAGL
RWNCVYQEGMNEIRAVGVKKKEKKEVSDVIRQEYQTAKWDKEAACQVSLL
SEEGDTALVQVQLIDKNGIRCLSSKKQITFEIAGDGSLICNLGTSTGSRK
VQAYNGRALIRIKRNEGNSVVAVKSEGLPTAFLELKS
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 D Residue 910 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		E501 W584
Binding residue
(residue number reindexed from 1)		E481 W543
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
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Biological Process
External links
PDB RCSB:6d7j, PDBe:6d7j, PDBj:6d7j
PDBsum6d7j
PubMed30230652
UniProtK5ZWV5

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