Structure of PDB 4axh Chain B Binding Site BS01

Receptor Information
>4axh Chain B (length=631) Species: 1007495 (Pseudomonas sp. DSM 6611) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDSKPASAITAAKNAEVLKNLPFADREEFEAAKRGLIAPFSGQIKNAEGQ
VVWDMGAYQFLNDKDAADTVNPSLWRQAQLNNIAGLFEVMPKLYQVRGLD
PANMTIIEGDSGLVLIDTLTTAETARAALDLYFQHRPKKPIVAVVYSHSH
IDHFGGARGIIDEADVKAGKVKVFAPSGFMEHAVSENILAGTAMARRGQY
QSGVMVPRGAQAQVDSGLFKTTATNATNTLVAPNVLIEKPYERHTVDGVE
LEFQLTLGSEAPSDMNIYLPQFKVLNTADNAPPAMHNLLTPRGAEVRDAK
AWAGYIDASLEKYGDRTDVLIQQHNWPVWGGDKVRTYLADQRDMYAFLNN
RALNLMNKGLTLHEIAAEVSKLPGELDRKWYLRSYYGALSTNLRAVYQRY
LGFYDGNPANLDPFPPVEAGKRYVEAMGGADAVLKQMRAAIDKGDYRWAV
QLGNHLVFADPANKDARALQADAMEQLGYQTENALWRNMYMTGAMELRHG
VPTYDSRGKSEMGRALTPDMFFDLLAIRLDTDKAVGHDMTLNWVFEDLKQ
DIALTLRNGVLTQRVGSLNPKADVTVKLTKPTLDQIAARKLDLPTAIKQG
TVKLDGDGKKLGEFFGLLDSFSPKFNIVELE
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 chain4axh Chain B Residue 700 [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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PDB4axh Structure and Mechanism of an Inverting Alkylsulfatase from Pseudomonas Sp. Dsm6611 Specific for Secondary Alkylsulfates.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D183 H184 D310 H355
Binding residue
(residue number reindexed from 1)		D152 H153 D279 H324
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.6.19: (R)-specific secondary-alkylsulfatase (type III).
Gene Ontology
Molecular Function
GO:0018741 linear primary-alkylsulfatase activity
GO:0046983 protein dimerization activity
Biological Process
GO:0018909 dodecyl sulfate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4axh, PDBe:4axh, PDBj:4axh
PDBsum4axh
PubMed23061549
UniProtF8KAY7|RSAKS_PSESP (R)-specific secondary-alkylsulfatase (Gene Name=pisa1)

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