Structure of PDB 4nur Chain A Binding Site BS01

Receptor Information
>4nur Chain A (length=633) Species: 686578 (Pseudomonas sp. S9) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AETAKPATDATKAANDALLKELPFDDKTSFDLAHKGFIAPLPAEPIKGEK
GNMIWDPSKYGFIKEGEAAPDTTNPSLWRQSQLINISGLFEVTDGIYQVR
NYDLSNMTIVEGKDGITIFDPLISQETAKAALDLYYKHRPKKPVVAVIYT
HSHVDHYGGVRGVVDEADVKAGKVKIYAPLGFLEHAVAENVMAGTAMSRR
ASYMYGNLLPPDAKGQLGAGLGTTTSAGTVTLIPPTDIIKETGETHVIDG
LTYEFMYAPGSEAPAEMLYYIKEKKALNAAEDSTHTLHNTYSLRGAKIRD
PLAWSKYLNEALKLWGDDVQVMYAMHHWPVWGNKEVREQLSLQRDMYRYI
NDETLRLANKGYTMTEIAEQVKLPKKIATKFSNRGYYGSLNHNVKATYVL
YLGWFIGNPATLWELPPADKAKRYVEMMGGADAVLKKAKEYYDKGDFRWV
AEVVNHVVFAEPNNQAAKNMQADALEQLGYQAESGPWRNFYLTGAQELRN
GVQQLPTPDTASPDTVKAMDLDLFFDFLAMRLKGPDVADKHITLNLDFTD
LKQKYTLEMVNGVLNHTEGMQAKNADATVTLTRETLNNVMLKQTTLKDAE
SSGDIKIEGDKGKLEELMSYMDNFDFWFNIVTP
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 chain4nur Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nur Crystal structure of thermostable alkylsulfatase SdsAP from Pseudomonas sp. S9
Resolution1.761 Å
Binding residue
(original residue number in PDB)		D196 H197 E322 H367
Binding residue
(residue number reindexed from 1)		D155 H156 E281 H326
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.6.21: linear primary-alkylsulfatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0018741 linear primary-alkylsulfatase activity
GO:0046872 metal ion binding
GO:0046983 protein dimerization activity
Biological Process
GO:0018909 dodecyl sulfate metabolic process
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4nur, PDBe:4nur, PDBj:4nur
PDBsum4nur
PubMed
UniProtF2WP51|LPAKS_PSESP Linear primary-alkylsulfatase (Gene Name=sdsAP)

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