Structure of PDB 3njx Chain A Binding Site BS01

Receptor Information
>3njx Chain A (length=508) Species: 5053 (Aspergillus aculeatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFGITTSSSAYVIDTNAPNQLKFTVSRSSCDITSIIHYGTELQYSSQGSH
IGSGLGSATVTATQSGDYIKVTCVTDTLTQYMVVHNGDPIIHMATYITAE
PSIGELRFIARLNSDLLPNEEPFGDVSTTADGTAIEGSDVFLVGSETRSK
FYSSERFIDDQRHCIAGDAHRVCMILNQYESSSGGPFHRDINSNNGGSYN
ALYWYMNSGAVQTESYRMGLHGPYSMYFSRSGTPSTSIDTSFFADLDIKG
YVAASGRGKVAGTASGADSSMDWVVHWYNDAAQYWTYTSSSGSFTSPAMK
PGTYTMVYYQGEYAVATSSVTVSAGSTTTKNISGSVKTGTTIFKIGEWDG
QPTGFRNAANQLRMHPSDSRMSSWGPLTYTVGSSALTDFPMAVFKSVNNP
VTIKFTATSAQTGAATLRIGTTLSFAGGRPQATINSYTGSAPAAPTNLDS
RGVTRGAYRGLGEVYDVSIPSGTIVAGTNTITINVISGSSGDTYLSPNFI
FDCVELFQ
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3njx Chain A Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3njx Structural and Biochemical Studies Elucidate the Mechanism of Rhamnogalacturonan Lyase from Aspergillus aculeatus.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		E347 D349 Q351 D502
Binding residue
(residue number reindexed from 1)		E347 D349 Q351 D502
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.23: rhamnogalacturonan endolyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016837 carbon-oxygen lyase activity, acting on polysaccharides
GO:0030246 carbohydrate binding
GO:0102210 rhamnogalacturonan endolyase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
GO:0009056 catabolic process
GO:0045490 pectin catabolic process
GO:0071555 cell wall organization
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:3njx, PDBe:3njx, PDBj:3njx
PDBsum3njx
PubMed20851126
UniProtQ00019|RGLA_ASPAC Rhamnogalacturonate lyase A (Gene Name=rglA)

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