Structure of PDB 5csr Chain D Binding Site BS01

Receptor Information
>5csr Chain D (length=220) Species: 273075 (Thermoplasma acidophilum DSM 1728) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYTAIVNLKTYREATGANFTRFMEKFEPVQGKFELIFSPSLLDLEKAAKC
GKFRFFAQHVDAEPYGAYTGHVPMDMMIDLGITGSILNHSERRLPRDTII
NTLKKASKLDFTIVLCVENAEEAKYFREYEPDFIAYEPRDLIGGDVSVST
AKPEIIEDIVKIYEGTGTSVLVGAGIKTGEDVRRSIGLGARGILVASGVV
KSADPTKSLNSLIELKLEHH
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain5csr Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5csr Structure and Stability of the Dimeric Triosephosphate Isomerase from the Thermophilic Archaeon Thermoplasma acidophilum.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		D61 R92
Binding residue
(residue number reindexed from 1)		D61 R92
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.1.1: triose-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004807 triose-phosphate isomerase activity
GO:0016853 isomerase activity
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5csr, PDBe:5csr, PDBj:5csr
PDBsum5csr
PubMed26709515
UniProtQ9HLB6|TPIS_THEAC Triosephosphate isomerase (Gene Name=tpiA)

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