Structure of PDB 3njv Chain A Binding Site BS02

Receptor Information
>3njv 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
PSIGELRFIARLNSDLLPNEEPFGDVSTTADGTAIEGSDVFLVGSETRSA
FYSSERFIDDQRHCIAGDAHRVCMILNQYESSSGGPFHRDINSNNGGSYN
ALYWYMNSGHVQTESYRMGLHGPYSMYFSRSGTPSTSIDTSFFADLDIKG
YVAASGRGKVAGTASGADSSMDWVVHWYNDAAQYWTYTSSSGSFTSPAMK
PGTYTMVYYQGEYAVATSSVTVSAGSTTTKNISGSVKTGTTIFKIGEWDG
QPTGFRNAANQLRMHPSDSRMSSWGPLTYTVGSSALTDFPMAVFKSVNNP
VTIKFTATSAQTGAATLRIGTTLSFAGGRPQATINSYTGSAPAAPTNLDS
RGVTRGAYRGLGEVYDVSIPSGTIVAGTNTITINVISGSSGDTYLSPNFI
FDCVELFQ
Ligand information
Ligand IDGTR
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-DTEWXJGMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
ACDLabs 12.01C1(C(C(C(C(C(=O)O)O1)O)O)O)O
CACTVS 3.385O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.7.6C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.385O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
FormulaC6 H10 O7
Namebeta-D-galactopyranuronic acid;
beta-D-galacturonic acid;
D-galacturonic acid;
galacturonic acid
ChEMBL
DrugBankDB03652
ZINCZINC000004097542
PDB chain3njv Chain B Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3njv Structural and Biochemical Studies Elucidate the Mechanism of Rhamnogalacturonan Lyase from Aspergillus aculeatus.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		E105 R107 D139 F151 Y205 H210
Binding residue
(residue number reindexed from 1)		E105 R107 D139 F151 Y205 H210
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3njv, PDBe:3njv, PDBj:3njv
PDBsum3njv
PubMed20851126
UniProtQ00019|RGLA_ASPAC Rhamnogalacturonate lyase A (Gene Name=rglA)

[Back to BioLiP]