Structure of PDB 2o0v Chain A Binding Site BS02

Receptor Information
>2o0v Chain A (length=399) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADLGHQTLGSNDGWGAYSTGTTGGSKASSSNVYTVSNRNQLVSALGKETN
TTPKIIYIKGTIDMNVDDNLKPLGLNDYKDPEYDLDKYLKAYDPSTWGKK
EPSGTQEEARARSQKNQKARVMVDIPANTTIVGSGTNAKVVGGNFQIKSD
NVIIRNIEFQDAYDYFPQWDPTDGSSGNWNSQYDNITINGGTHIWIDHCT
FNDGSRPDSTSPKYYGRKYQHHDGQTDASNGANYITMSYNYYHDHDKSSI
FGSSDSKTSDDGKLKITLHHNRYKNIVQAAPRVRFGQVHVYNNYYEGSTS
SSSYPFSYAWGIGKSSKIYAQNNVIDVPGLSAAKTISVFSGGTALYDSGT
LLNGTQINASAANGLSSSVGWTPSLHGSIDASANVKSNVINQAGAGKLN
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 chain2o0v Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2o0v Structural insights into substrate specificity and the anti beta-elimination mechanism of pectate lyase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		K247 I250 R284
Binding residue
(residue number reindexed from 1)		K247 I250 R284
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D184 D223 D227 A279
Catalytic site (residue number reindexed from 1) D184 D223 D227 A279
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
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Biological Process
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Cellular Component
External links
PDB RCSB:2o0v, PDBe:2o0v, PDBj:2o0v
PDBsum2o0v
PubMed20000851
UniProtP39116|PLY_BACSU Pectate lyase (Gene Name=pel)

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