Structure of PDB 6d50 Chain A Binding Site BS02

Receptor Information
>6d50 Chain A (length=837) Species: 1339349 (Bacteroides uniformis str. 3978 T3 ii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QRQTQTINDSWKFLKGECTAAADSAFDDSKWTSIHLPHTWNTDAYTEKDY
YRGTGWYRRQLTLPQGWKEKQIILRLDAAGKSATIYINGKNVGEHAGGYT
ACSFNITPFLSFDTPNTLAVCVDNARQDIAPISGDFTFFGGIYRDVWLTA
VPNQHFNLTNHGSDGLFISTPQVSEEQATLSIRGEVKNDAPEKATLELTH
TIYRPDGTLLQTLKKNIQLKAGETYAFSNEATPVLKPELWTPETPRLYRV
ETTLRNRKTKTLLDQSNHYTAFRWFRFDGDEGFFLNGKPYKLRGICRHQD
QKPIGPALTDEMHRRDFLLMKEMGANFIRISHYPQDDALLEMCDKLGMLA
WEEIPIIDIVPNTPGYGDNCERNLREMIRQHYNHPSIITWGYMNEILLVT
QRKYKTEAELKPVLERTLALANRLERVLKEEDSTRISTMAFHGSNSYNET
GLSKITDIVGWNLYQGWYGGDLTGFEKFLAQQHQNHPTHPMIVSEYGAGS
DKRLHSLHPRAFDFSIEYQQKYLEHYLPVLEDTPYICGGTHWNFIDFSSA
LRDESMPRINNKGLVYADRTPKDVYHYYQAAWRKDIPVLHIASRDWTDRA
GVQQGNAPVYLPVKIYTNLSEVELFIDGISLGKQKTENYTATFEVPFSNR
NPFLFAQGNYQGKTVQDGLRINFTPIPACLDANNLKGLELAVNVGSQCFF
TSDESQLTWLPDQPYAAGSWGYIGGKEGTAQTEIQNTADGPLFQTLRNEI
EGYRFDAPQGVYEIELLFTDIFRESTFGISINGEVVEESLSPCKESGYFR
ALRKKYYITNDKEYIDIRFHSTSGTCFLNGIKLRNIY
Ligand information
Ligand IDGCB
InChIInChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4-/m0/s1
InChIKeyYLKFQNUGXOLRNI-QDQPNEQZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O
ACDLabs 10.04O=C1OC(C(=O)O)C(O)C(O)C1O
OpenEye OEToolkits 1.5.0C1(C(C(OC(=O)C1O)C(=O)O)O)O
CACTVS 3.341O[CH]1[CH](O)[CH](OC(=O)[CH]1O)C(O)=O
CACTVS 3.341O[C@H]1[C@H](O)[C@H](OC(=O)[C@@H]1O)C(O)=O
FormulaC6 H8 O7
Name(2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid;
D-GLUCARO-1,5-LACTONE
ChEMBLCHEMBL4589322
DrugBank
ZINC
PDB chain6d50 Chain A Residue 903 [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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PDB6d50 Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D166 H363 N425 E426 N493 Y495 Y499 E526 W573 N591 K593
Binding residue
(residue number reindexed from 1)		D135 H332 N394 E395 N462 Y464 Y468 E495 W542 N560 K562
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.05,Kd=9uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6d50, PDBe:6d50, PDBj:6d50
PDBsum6d50
PubMed30301767
UniProtA0A078SUX9

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