Structure of PDB 4av7 Chain A Binding Site BS01

Receptor Information
>4av7 Chain A (length=634) Species: 1007495 (Pseudomonas sp. DSM 6611) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESLDSKPASAITAAKNAEVLKNLPFADREEFEAAKRGLIAPFSGQIKNAE
GQVVWDMGAYQFLNDKDAADTVNPSLWRQAQLNNIAGLFEVMPKLYQVRG
LDPANMTIIEGDSGLVLIDTLTTAETARAALDLYFQHRPKKPIVAVVYSH
SHIDHFGGARGIIDEADVKAGKVKVFAPSGFMEHAVSENILAGTAMARRG
QYQYGVMVPRGAQAQVDSGLGKTTATNATNTLVAPNVLIEKPYERHTVDG
VELEFQLTLGSEAPSDMNIYLPQFKVLNTADNAPPAMHNLLTPRGAEVRD
AKAWAGYIDASLEKYGDRTDVLIQQHNWPVWGGDKVRTYLADQRDMYAFL
NNRALNLMNKGLTLHEIAAEVSKLPGELDRKWYLRSYYGALSTNLRAVYQ
RYLGFYDGNPANLDPFPPVEAGKRYVEAMGGADAVLKQMRAAIDKGDYRW
AVQLGNHLVFADPANKDARALQADAMEQLGYQTENALWRNMYMTGAMELR
HGVPTYDSRGKSEMGRALTPDMFFDLLAIRLDTDKAVGHDMTLNWVFEDL
KQDIALTLRNGVLTQRVGSLNPKADVTVKLTKPTLDQIAARKLDLPTAIK
QGTVKLDGDGKKLGEFFGLLDSFSPKFNIVELEH
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 chain4av7 Chain A Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4av7 Structure and Mechanism of an Inverting Alkylsulfatase from Pseudomonas Sp. Dsm6611 Specific for Secondary Alkylsulfates.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		D183 H184 D310 H355
Binding residue
(residue number reindexed from 1)		D154 H155 D281 H326
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:4av7, PDBe:4av7, PDBj:4av7
PDBsum4av7
PubMed23061549
UniProtF8KAY7|RSAKS_PSESP (R)-specific secondary-alkylsulfatase (Gene Name=pisa1)

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