Structure of PDB 1l6r Chain A Binding Site BS01

Receptor Information
>1l6r Chain A (length=225) Species: 2303 (Thermoplasma acidophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMIRLAAIDVDGNLTDRDRLISTKAIESIRSAEKKGLTVSLLSGNVIPVV
YALKIFLGINGPVFGENGGIMFDNDGSIKKFFSNEGTNKFLEEMSKRTSM
RSILTNRWREASTGFDIDPEDVDYVRKEAESRGFVIFYSGYSWHLMNRGE
DKAFAVNKLKEMYSLEYDEILVIGDSNNDMPMFQLPVRKACPANATDNIK
AVSDFVSDYSYGEEIGQIFKHFELM
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1l6r Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1l6r Structure- and function-based characterization of a new phosphoglycolate phosphatase from Thermoplasma acidophilum.
Resolution1.4 Å
Binding residue
(original residue number in PDB)
D8 D174 N177 D178
Binding residue
(residue number reindexed from 1)
D9 D175 N178 D179
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.18: phosphoglycolate phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0008967 phosphoglycolate phosphatase activity
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0016311 dephosphorylation
Cellular Component
GO:0005829 cytosol

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:1l6r, PDBe:1l6r, PDBj:1l6r
PDBsum1l6r
PubMed14555659
UniProtQ9HLQ2|PGP_THEAC Phosphoglycolate phosphatase (Gene Name=Ta0175)

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