Structure of PDB 2z8s Chain A Binding Site BS01

Receptor Information
>2z8s Chain A (length=583) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AARQMEALNRGLVAVKTDGGIFVSWRFLGTENASVLFNVYRDGQKLNAAP
VKTTNYVDKNGSAGSTYTVRAVVNGTEQPASEKASVWAQPYHSVPLDKPA
GGTTPKGESYTYSANDASVGDVDGDGQYELILKWDPSNSKDNSQDGYTGD
VLIDAYKLDGTKLWRINLGKNIRAGAHYTQFMVYDLDGDGKAEVAMKTAD
GTKDGTGKVIGNANADYRNEQGRVLSGPEYLTVFQGSTGKELVTANFEPA
RGNVSDWGDSYGNRVDRFLAGIAYLDGQRPSLIMTRGYYAKTMLVAYNFR
DGKLSKLWTLDSSKSGNEAFAGQGNHNLSIADVDGDGKDEIIFGSMAVDH
DGKGMYSTGLGHGDALHTGDLDPGRPGLEVFQVHEDKNAKYGLSFRDAAT
GKILWGVYAGKDVGRGMAADIDPRYPGQEVWANGSLYSAKGVKIGSGVPS
STNFGIWWDGDLLREQLDSNRIDKWDYQNGVSKNMLTASGAAANNGTKAT
PTLQADLLGDWREEVVWRTEDSSALRIYTTTIPTEHRLYTLMHDPVYRLG
IAWQNIAYNQPPHTSFFLGDGMAEQPKPNMYTP
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 chain2z8s Chain C Residue 2 [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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PDB2z8s A Novel Structural Fold in Polysaccharide Lyases: BACILLUS SUBTILIS FAMILY 11 RHAMNOGALACTURONAN LYASE YesW WITH AN EIGHT-BLADED -PROPELLER
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R452 T534 K535
Binding residue
(residue number reindexed from 1)		R415 T497 K498
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.23: rhamnogalacturonan endolyase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0102210 rhamnogalacturonan endolyase activity
Biological 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:2z8s, PDBe:2z8s, PDBj:2z8s
PDBsum2z8s
PubMed17947240
UniProtO31526|YESW_BACSU Rhamnogalacturonan endolyase YesW (Gene Name=yesW)

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