Structure of PDB 5w3u Chain A Binding Site BS01

Receptor Information
>5w3u Chain A (length=293) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIPLVGKDSIESKDIGFTLIHEHLRAFSEAVRQQWPHLYNEDEEFRNAVN
EVKRAMQFGVKTIVDPTVMGLGRDTRFMEKVVKATGINLVAGTGIWIFID
LPFYFLNRSIDEIADLFIHDIKEGIQGTPNKAGFVKIAADEPGITKDVEK
VIRAAAIANKETKVPIITHSNAHNNTGLEQQRILTEEGVDPGKILIGHLG
DTDNIDYIKKIADKGSFIGLDRYGVDLFLPVDKRNETTLRLIKDGYSDKI
MISHDYWSITLIFEDTIPFLKRNGVNEEVIATIFKENPKKFFS
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain5w3u Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5w3u Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H22 H24 K137 D256
Binding residue
(residue number reindexed from 1)		H21 H23 K136 D255
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H22 H24 K137 H170 H199 D202 R223 D256
Catalytic site (residue number reindexed from 1) H21 H23 K136 H169 H198 D201 R222 D255
Enzyme Commision number 3.1.8.1: aryldialkylphosphatase.
Gene Ontology
Molecular Function
GO:0004063 aryldialkylphosphatase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0046872 metal ion binding
Biological Process
GO:0009056 catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5w3u, PDBe:5w3u, PDBj:5w3u
PDBsum5w3u
PubMed29196634
UniProtQ97VT7|PHP_SACS2 Aryldialkylphosphatase (Gene Name=php)

[Back to BioLiP]