Structure of PDB 8get Chain B Binding Site BS01

Receptor Information
>8get Chain B (length=644) Species: 301301 (Roseburia hominis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREVINFNTKWAFTKEATEVPKEMPEKWYWVTLPHSWNEIDGQDGGNDYY
RGTCYYAKQLKKSELPEADCYYLELRGANASADVYVNGKAVAHHDGGYST
WRVDITKELTEEENLIVIAVENGVNDRVYPQNADFTFYGGLYRDVNIIAV
NKSHFDLDYYGGPGIKVTPEIKGADASVEVEVFLTNAAADQKLVYTVKDA
EGKEVAKTETAAGETKAVLSIPAVHLWNGKKDPYLYTAEVALVSGEEAVD
AVSTRFGCRTFEIDPERGFILNGEEYPLRGVSRHQDRWGIGNALLPEHHR
EDIDLICELGATTIRLAHYQHDQYFYDLCDERGLVIWAEIPYISSHMPNG
RENTISQMKELVVQNYNHPSIVVWGLSNEITMAGSSDEDLLENHRILNDM
VHEMDHTRLTTIAVVSMCDIHDPYIQIPDVISYNHYFGWYGGDVSMNGPW
MDNFHKEFPNIPLGMSEYGCEALNWHTSDPKQGDYTEEYQAYYHEEMIKQ
LFTRKYIWATHVWNMFDFGADARNEGGENGQNHKGLVTFDRKYKKDSFYA
YKAWLSDEPFVHLCGKRYVDRVEDTTKVTVYSNLPEVELFVNGKSAGKLQ
AEDHFFHFEVPNVGESTLVAVAGEYKDESHIRKVDTFNEEYSLK
Ligand information
Ligand IDBDP
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1
InChIKeyAEMOLEFTQBMNLQ-QIUUJYRFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
OpenEye OEToolkits 1.7.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.370O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 12.01O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.370O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
FormulaC6 H10 O7
Namebeta-D-glucopyranuronic acid;
beta-D-glucuronic acid;
D-glucuronic acid;
glucuronic acid
ChEMBLCHEMBL1159524
DrugBankDB03156
ZINCZINC000004097543
PDB chain8get Chain B Residue 804 [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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PDB8get Diverse Human Therapeutics Impact Hormone and Neurotransmitter Homeostasis by Inhibiting Gut Microbial Enzymes
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D133 H317 E378 Y435 E466 W512 F517 R522 N531 K533
Binding residue
(residue number reindexed from 1)		D134 H318 E379 Y436 E467 W513 F518 R523 N532 K534
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004565 beta-galactosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8get, PDBe:8get, PDBj:8get
PDBsum8get
PubMed38754417
UniProtA0A395V8I7

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