Structure of PDB 2ewe Chain A Binding Site BS02

Receptor Information
>2ewe Chain A (length=352) Species: 556 (Dickeya chrysanthemi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATDTGGYAATAGGNVTGAVSKTATSMQDIVNIIDAARLDANGKKVKGGAY
PLVITYTGNEDSLINAAAANICGQWSKDPRGVEIKEFTKGITIIGANGSS
ANFGIWIKKSSDVVVQNMRIGYLPGGAKDGDMIRVDDSPNVWVDHNELFA
ANHECDGTPDNDTTFESAVDIKGASNTVTVSYNYIHGVKKVGLDGSSSSD
TGRNITYHHNYYNDVNAKLPLQRGGLVHAYNNLYTNITGSGLNVRQNGQA
LIENNWFEKAINPVTSRYDGKNFGTWVLKGNNITKPADFSTYSITWTADT
KPYVNADSWTSTGTFPTVAYNYSPVSAQCVKDKLPGYAGVGKNLATLTST
AC
Ligand information
Ligand IDADA
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-BKBMJHBISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
CACTVS 3.341O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1O
OpenEye OEToolkits 1.5.0[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O
FormulaC6 H10 O7
Namealpha-D-galactopyranuronic acid;
alpha-D-galacturonic acid;
D-galacturonic acid;
galacturonic acid;
ALPHA D-GALACTURONIC ACID
ChEMBL
DrugBankDB03511
ZINCZINC000004228259
PDB chain2ewe Chain B Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ewe Structure of a Plant Cell Wall Fragment Complexed to Pectate Lyase C
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D162 K190 L193 S196 R223
Binding residue
(residue number reindexed from 1)		D162 K190 L193 S196 R223
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D129 D131 A151 E166 D170 A217 K218 P220
Catalytic site (residue number reindexed from 1) D129 D131 A151 E166 D170 A217 K218 P220
Enzyme Commision number 4.2.2.2: pectate lyase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0030570 pectate lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0045490 pectin catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2ewe, PDBe:2ewe, PDBj:2ewe
PDBsum2ewe
PubMed10368179
UniProtP11073|PLYC_DICCH Pectate lyase C (Gene Name=pelC)

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