Structure of PDB 7plc Chain A Binding Site BS02

Receptor Information
>7plc Chain A (length=286) Species: 190650 (Caulobacter vibrioides CB15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVTCVWDLKATLGEGPIWHGDTLWFVDIKQRKIHNYHPATGERFSFDAPD
QVTFLAPIVGATGFVVGLKTGIHRFHPATGFSLLLEVEDAALNNRPNDAT
VDAQGRLWFGTMHDGEENNSGSLYRMDLTGVARMDRDICITNGPCVSPDG
KTFYHTDTLEKTIYAFDLAEDGLLSNKRVFVQFALGDDVYPDGSVVDSEG
YLWTALWGGFGAVRFSPQGDAVTRIELPAPNVTKPCFGGPDLKTLYFTTA
RKGLSDETLAQYPLAGGVFAVPVDVAGQPQHEVRLV
Ligand information
Ligand IDXYS
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
InChIKeySRBFZHDQGSBBOR-LECHCGJUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namealpha-D-xylopyranose;
alpha-D-xylose;
D-xylose;
xylose;
XYLOPYRANOSE
ChEMBL
DrugBankDB03389
ZINCZINC000001529214
PDB chain7plc Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7plc Three-dimensional structure of xylonolactonase from Caulobacter crescentus: A mononuclear iron enzyme of the 6-bladed beta-propeller hydrolase family.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		A65 G67 F68 P81
Binding residue
(residue number reindexed from 1)		A61 G63 F64 P77
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.110: xylono-1,5-lactonase.
Gene Ontology
Molecular Function
GO:0004341 gluconolactonase activity
GO:0005509 calcium ion binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0019853 L-ascorbic acid biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7plc, PDBe:7plc, PDBj:7plc
PDBsum7plc
PubMed34761460
UniProtQ9A9Z1|XYLC_CAUVC D-xylonolactone lactonase (Gene Name=xylC)

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