Structure of PDB 6t0e Chain A Binding Site BS04

Receptor Information
>6t0e Chain A (length=392) Species: 452637 (Opitutus terrae PB90-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPDPLVGADGTRVHDRATWQHRRRPELLQLFAREVYGRTPLGRPEGMVFK
VTTMEHAALGGAATRKEVTVRFGRDPNAPSMQLLLYVPNAVIARAERAPV
FLGLNFYGNHTVHTDPAIALSARWIPAEAPNGANHRATEAARGSDAQKWP
VEQILARGYAVATVYCGDLCPDRPDGLNASVASWLDAAAGDQRAPDAWGA
IGVWAWGLSRALDYLETDPLVDASRVAVHGHARLGKAALWAGAQDDRFAL
VISNESGCGGAALSKRIHGETVARINTVFPHWFARNFRRYDDHEEALPVD
QHELLALVAPRPLYVASAEDDDWADPRGEFLAVKAAEPVFRLFGQTGPSG
EDVPRVNEPSGGALRYHIRPGPHGMTAQDWAFYLAFADEWLK
Ligand information
Ligand IDTMO
InChIInChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
InChIKeyUYPYRKYUKCHHIB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.0		C[N+](C)(C)[O-]
ACDLabs 12.01[O-][N+](C)(C)C
FormulaC3 H9 N O
Nametrimethylamine oxide
ChEMBL
DrugBank
ZINCZINC000000895494
PDB chain6t0e Chain A Residue 534 [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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PDB6t0e Structural and biochemical studies of the glucuronoyl esteraseOtCE15A illuminate its interaction with lignocellulosic components.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		A67 T74 Q279
Binding residue
(residue number reindexed from 1)		A32 T39 Q244
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6t0e, PDBe:6t0e, PDBj:6t0e
PDBsum6t0e
PubMed31740581
UniProtB1ZMF4

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