Structure of PDB 6hze Chain A Binding Site BS01

Receptor Information
>6hze Chain A (length=859) Species: 732242 (Phocaeicola paurosaccharolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVNVVMTGDMTTRLAFAGEQLKQALVEKGYEVNQTTKRSIYLNLLNDTTK
KNKERFDISTKGKNTYVTGYDGNGIIYGCRELIDQLDQSGTMDFKPVSDA
PEMVLRGACIGLQKTTYLPGHAVYEYPYTPESFPWFYDKERWIKYLDMMV
ENRMNSLYLWNGHPFASLVKLKDYPFALEVDEETFKKNEEMFSFLTTEAE
KRGIFVIQMFYNIIVSKPFADHYGIKTQDRNRPITPLISDYTRKSVAAFI
EKYPNVGLLVCLGEAIGTYEEDVEWFTKTIIPGIKDGLKVLGRTDEPPVL
VRAHDTDCKMVIDAALPLYKNLYTMHKYNGSSLTTYEPRGPWAKIHKDLS
SLGSVHISNVHILANLEPWRWSSPDFIQKSVKAMHSVHGANALHIYPQAN
YWDWPYTADKLANGEREEQVYRDWAWYKAWGRYAWKADRNRLEEIKYWDK
QFGDFYGIPAEMADNIRIAYEESGEIAPKLLRRFGITEGNRQTLLLGMFM
SQFVNPYKYTIHYGFYESCGPGGEKLIEYVEKEWKKQPHVGELPLDIINQ
VIEHGDKAVAAIDKVVSSAKKNSDELRRLQNDMHCYREYAYAFYYKVKAA
QHVLNYHWGKNMDELDKAVPLMEESLKHYTKLVDLTKDTYLFANSMQTAQ
RRIPIGGDDGNNKTWSEMLVHYKAELYNFKENIEMLKDKKVRKCVEVTPL
KEADVKILNNLTKVKIEKGAKIFSNIDGGIDAIAKEITGLTGFVFNGEKQ
RDDATTIEFECSSPVTMLVAYFKDDHRKFAKAPRLESDASANDYGQAEPV
LTNALHVKGVALADIYPYKFKAGRHTLILPKGYCGVLGFTEDKIKERDVA
LDAPDWLFY
Ligand information
Ligand IDGTR
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-DTEWXJGMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
ACDLabs 12.01C1(C(C(C(C(C(=O)O)O1)O)O)O)O
CACTVS 3.385O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.7.6C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.385O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
FormulaC6 H10 O7
Namebeta-D-galactopyranuronic acid;
beta-D-galacturonic acid;
D-galacturonic acid;
galacturonic acid
ChEMBL
DrugBankDB03652
ZINCZINC000004097542
PDB chain6hze Chain A Residue 901 [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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PDB6hze Structural and functional analyses of glycoside hydrolase 138 enzymes targeting chain A galacturonic acid in the complex pectin rhamnogalacturonan II.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y241 E294 R332 H334 K357 H391 W432 N520 E816
Binding residue
(residue number reindexed from 1)		Y211 E264 R302 H304 K327 H361 W402 N490 E786
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6hze, PDBe:6hze, PDBj:6hze
PDBsum6hze
PubMed30877196
UniProtA0A4V8GZY5

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