Structure of PDB 1te2 Chain B Binding Site BS01

Receptor Information
>1te2 Chain B (length=218) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RQILAAIFDMDGLLIDSEPLWDRAELDVMASLGVDISRRNELPDTLGLRI
DMVVDLWYARQPWNGPSRQEVVERVIARAISLVEETRPLLPGVREAVALC
KEQGLLVGLASASPLHMLEKVLTMFDLRDSFDALASAEKLPYSKPHPQVY
LDCAAKLGVDPLTCVALEDSVNGMIASKAARMRSIVVPAPEAQNDPRFVL
ANVKLSSLTELTAKDLLG
Ligand information
Ligand IDPGA
InChIInChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKeyASCFNMCAHFUBCO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(=O)O
FormulaC2 H5 O6 P
Name2-PHOSPHOGLYCOLIC ACID
ChEMBLCHEMBL47181
DrugBankDB02726
ZINCZINC000003869735
PDB chain1te2 Chain B Residue 712 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1te2 Crystal Structure of Putative Phosphatase Ynic from Escherichia coli K12
Resolution1.76 Å
Binding residue
(original residue number in PDB)		D13 M14 D15 G51 S115 A116 K148
Binding residue
(residue number reindexed from 1)		D9 M10 D11 G47 S111 A112 K144
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D13 D15 S21 D48 S115 A116 K148 E172 D173
Catalytic site (residue number reindexed from 1) D9 D11 S17 D44 S111 A112 K144 E168 D169
Enzyme Commision number 3.1.3.22: mannitol-1-phosphatase.
3.1.3.23: sugar-phosphatase.
3.1.3.50: sorbitol-6-phosphatase.
3.1.3.68: 2-deoxyglucose-6-phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003850 2-deoxyglucose-6-phosphatase activity
GO:0004346 glucose-6-phosphatase activity
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0046872 metal ion binding
GO:0050084 mannitol-1-phosphatase activity
GO:0050286 sorbitol-6-phosphatase activity
GO:0050308 sugar-phosphatase activity
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:1te2, PDBe:1te2, PDBj:1te2
PDBsum1te2
PubMed
UniProtP77247|HXPB_ECOLI Hexitol phosphatase B (Gene Name=hxpB)

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