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Structure of PDB 1rmg Chain A Binding Site BS01

Receptor Information
>1rmg Chain A (length=422) Species: 5053 (Aspergillus aculeatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLSGSVGPLTSASTKGATKTCNILSYGAVADNSTDVGPAITSAWAACKSG
GLVYIPSGNYALNTWVTLTGGSATAIQLDGIIYRTGTASGNMIAVTDTTD
FELFSSTSKGAVQGFGYVYHAEGTYGARILRLTDVTHFSVHDIILVDAPA
FHFTMDTCSDGEVYNMAIRGGNEGGLDGIDVWGSNIWVHDVEVTNKDECV
TVKSPANNILVESIYCNWSGGCAMGSLGADTDVTDIVYRNVYTWSSNQMY
MIKSNGGSGTVSNVLLENFIGHGNAYSLDIDGYWSSMTAVAGDGVQLNNI
TVKNWKGTEANGATRPPIRVVCSDTAPCTDLTLEDIAIWTESGSSELYLC
RSAYGSGYCLKDSSSHTSYTTTSTVTAAPSGYSATTMAADLATAFGLTAS
IPIPTIPTSFYPGLTPYSALAG
Ligand information
Ligand IDBMA
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain1rmg Chain A Residue 427 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1rmg The crystal structure of rhamnogalacturonase A from Aspergillus aculeatus: a right-handed parallel beta helix.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D324 R351 S368 Y369 T370
Binding residue
(residue number reindexed from 1)		D324 R351 S368 Y369 T370
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.171: rhamnogalacturonan hydrolase.
Gene Ontology
Molecular Function
GO:0004650 polygalacturonase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046576 rhamnogalacturonan alpha-L-rhamnopyranosyl-(1->4)-alpha-D-galactopyranosyluronide lyase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic 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:1rmg, PDBe:1rmg, PDBj:1rmg
PDBsum1rmg
PubMed9115442
UniProtQ00001|RHGA_ASPAC Rhamnogalacturonase A (Gene Name=rhgA)

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