Structure of PDB 6d41 Chain B Binding Site BS01

Receptor Information
>6d41 Chain B (length=579) Species: 820 (Bacteroides uniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APQIMNVSARQTTSLDGQWKTIVDPFENGYYDYRLKPYDGGYAQDKTYSD
KTKLQEYDFETDKLLFVPGDWNTQRPQLYYYEGTVWYRKHFEYSLQPGKR
LFLNFGAVNYEAIVWLNGKRLGRHIGGFTPFNFEITNLLKEGTNSLVVKV
DNKRLPEAVPTVNADWWNFGGITRPVTLIEMPATYIRDYYVQLAKDDKNM
IEGWVQLEGSDKEQKITLDIPELKVKKEVTTDANGYASFLIKSKPILWTP
ENPKLYAVNLASETDKVSDEIGFRTIRTEGIKILLNDKEIFCRGISIHEE
TPYYSGRAYSKDHAHTLLSWAKELGCNFVRLAHYPHNEEMVREAERMGFL
VWSEIPVYWTIHWENKDTYQNAEQQLCDMIARDKNRCNIIIWSIANETPH
SKTRLTFLSNLANKARSLDSVRLIGAAMEKEEVQPGVLTVNDPLGELLDI
ISFNEYVGWYDGDSEKCDRVNWTFDTQKPVFISELGGGALYGHHGSPKER
FTEEYQEDLYIRHVNMLKRIPGLAGTTPWILKDFRSPRRHVPEIQDDFNR
KGLVSDKGQKKKAFFVLQKWYKELTEAYK
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 chain6d41 Chain B Residue 705 [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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PDB6d41 Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D189 H357 Y382 N420 E421 N478 Y480 Y484 E508 W553 R563 N573 K575
Binding residue
(residue number reindexed from 1)		D165 H333 Y358 N396 E397 N454 Y456 Y460 E484 W529 R539 N549 K551
Annotation score2
Enzymatic activity
Enzyme Commision number 3.2.1.31: beta-glucuronidase.
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:6d41, PDBe:6d41, PDBj:6d41
PDBsum6d41
PubMed30301767
UniProtA0A174CQK8

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