Structure of PDB 2z8s Chain A Binding Site BS09

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 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 chain2z8s Chain A Residue 647 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		D222 D224 D226 K228 E230
Binding residue
(residue number reindexed from 1)		D185 D187 D189 K191 E193
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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