Structure of PDB 2cfz Chain A Binding Site BS01

Receptor Information
>2cfz Chain A (length=630) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTAPKPPSAFTVEAQRRVEAELPFADRADFERADRGLIRRPERLLIRNPD
GSVAWQLGGYDFLLDGKPRDSINPSLQRQALLNLKYGLFEVAEGIYQVRG
FDLANITFIRGDSGWIVVDTLTTPATARAAYELVSRELGERPIRTVIYSH
AHADHFGGVRGLVEPQQVASGAVQIIAPAGFMEAAIKENVLAGNAMMRRA
TYQYGTQLPKGPQGQVDMAIGKGLARGPLSLLAPTRLIEGEGEDLVLDGV
PFTFQNTPGTESPAEMNIWLPRQKALLMAENVVGTLHNLYTLRGAEVRDA
LGWSKYINQALHRFGRQAEVMFAVHNWPRWGNAEIVEVLEKQRDLYGYLH
DQTLHLANQGVTIGQVHNRLRLPPSLDQEWYDRGYHGSVSHNARAVLNRY
LGYYDGNPATLDPLSPEDSAGRYVEYMGGAERLLEQARASYARGEYRWVV
EVVNRLVFAEPDNRAARELQADALEQLGYQAENAGWRNSYLSAAYELRHG
VPRDQGSADALAAMDTGLLFDYLGVRLDAGAAEGKALSINLRLPDIGENY
LLELKNSHLNNLRGVQSEDAGQTVSIDRADLNRLLLKEVSAVRLVFEGKL
KSSGNPLLLGQLFGMLGDFDFWFDIVTPAA
Ligand information
Ligand ID1DO
InChIInChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKeyLQZZUXJYWNFBMV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OCCCCCCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCCO
FormulaC12 H26 O
Name1-DODECANOL
ChEMBLCHEMBL24722
DrugBankDB06894
ZINCZINC000001529403
PDB chain2cfz Chain A Residue 1655 [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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PDB2cfz The Crystal Structure of Sdsa1, an Alkylsulfatase from Pseudomonas Aeruginosa, Defines a Third Class of Sulfatases.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		M216 A219 Y223 L243 R312 A654
Binding residue
(residue number reindexed from 1)		M197 A200 Y204 L224 R293 A630
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.6.21: linear primary-alkylsulfatase.
Gene Ontology
Molecular Function
GO:0018741 linear primary-alkylsulfatase activity
GO:0046983 protein dimerization activity
Biological Process
GO:0018909 dodecyl sulfate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2cfz, PDBe:2cfz, PDBj:2cfz
PDBsum2cfz
PubMed16684886
UniProtQ9I5I9|LPAKS_PSEAE Linear primary-alkylsulfatase (Gene Name=sdsA1)

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