Structure of PDB 2cfu Chain A Binding Site BS02

Receptor Information
>2cfu Chain A (length=627) 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
AHADHFGGVRGLVEPQQVASGAVQIIAPAGFMEAAIVLAGNAMMRRATYQ
YGTQLPKGPQGQVDMAIGKGLARGPLSLLAPTRLIEGEGEDLVLDGVPFT
FQNTPGTESPAEMNIWLPRQKALLMAENVVGTLHNLYTLRGAEVRDALGW
SKYINQALHRFGRQAEVMFAVHNWPRWGNAEIVEVLEKQRDLYGYLHDQT
LHLANQGVTIGQVHNRLRLPPSLDQEWYDRGYHGSVSHNARAVLNRYLGY
YDGNPATLDPLSPEDSAGRYVEYMGGAERLLEQARASYARGEYRWVVEVV
NRLVFAEPDNRAARELQADALEQLGYQAENAGWRNSYLSAAYELRHGVPR
DQGSADALAAMDTGLLFDYLGVRLDAGAAEGKALSINLRLPDIGENYLLE
LKNSHLNNLRGVQSEDAGQTVSIDRADLNRLLLKEVSAVRLVFEGKLKSS
GNPLLLGQLFGMLGDFDFWFDIVTPAA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2cfu Chain A Residue 1001 [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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PDB2cfu The Crystal Structure of Sdsa1, an Alkylsulfatase from Pseudomonas Aeruginosa, Defines a Third Class of Sulfatases.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D173 H174 E299 H344
Binding residue
(residue number reindexed from 1)		D154 H155 E277 H322
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:2cfu, PDBe:2cfu, PDBj:2cfu
PDBsum2cfu
PubMed16684886
UniProtQ9I5I9|LPAKS_PSEAE Linear primary-alkylsulfatase (Gene Name=sdsA1)

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