Structure of PDB 4as2 Chain D Binding Site BS01

Receptor Information
>4as2 Chain D (length=327) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TELEHWPAPAARQLNALIEANANKGAYAVFDMDNTSYRYDLEESLLPYLE
MKGVLTRDRLDPSLKLIPFKDQAGHKESLFSYYYRLCEIDDMVCYPWVAQ
VFSGFTLRELKGYVDELMAYGKPIPATYYDGDKLATLDVEPPRVFSGQRE
LYNKLMENGIEVYVISAAHEELVRMVAADPRYGYNAKPENVIGVTTLLKN
RKTGELTTARKQIAEGKYDPKANLDLEVTPYLWTPATWMAGKQAAILTYI
DRWKRPILVAGDTPDSDGYMLFNGTAENGVHLWVNRKAKYMEQINGMIKQ
HSAAQAKAGLPVTADRNWVIVTPEQIQ
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4as2 Chain D Residue 1328 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4as2 The Structural Domains of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase Cooperate in Substrate Hydrolysis: 3D Structure and Enzymatic Mechanism.
Resolution2.12 Å
Binding residue
(original residue number in PDB)		D31 D33 D262
Binding residue
(residue number reindexed from 1)		D31 D33 D262
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.75: phosphoethanolamine/phosphocholine phosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Cellular Component
GO:0042597 periplasmic space

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:4as2, PDBe:4as2, PDBj:4as2
PDBsum4as2
PubMed22922065
UniProtQ9HTR2|PCHP_PSEAE Phosphorylcholine phosphatase (Gene Name=pchP)

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