Structure of PDB 5css Chain D Binding Site BS01

Receptor Information
>5css Chain D (length=214) 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
KSADPTKSLNSLIE
Ligand information
Ligand IDG3P
InChIInChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
InChIKeyAWUCVROLDVIAJX-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C(COP(=O)(O)O)O)O
CACTVS 3.385OC[C@@H](O)CO[P](O)(O)=O
ACDLabs 12.01O=P(OCC(O)CO)(O)O
OpenEye OEToolkits 1.7.6C([C@H](COP(=O)(O)O)O)O
CACTVS 3.385OC[CH](O)CO[P](O)(O)=O
FormulaC3 H9 O6 P
NameSN-GLYCEROL-3-PHOSPHATE
ChEMBLCHEMBL1232920
DrugBankDB02515
ZINCZINC000003830896
PDB chain5css 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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PDB5css Structure and Stability of the Dimeric Triosephosphate Isomerase from the Thermophilic Archaeon Thermoplasma acidophilum.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		N7 K9 H89 E137 G143 A174 A196 S197
Binding residue
(residue number reindexed from 1)		N7 K9 H89 E137 G143 A174 A196 S197
Annotation score2
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:5css, PDBe:5css, PDBj:5css
PDBsum5css
PubMed26709515
UniProtQ9HLB6|TPIS_THEAC Triosephosphate isomerase (Gene Name=tpiA)

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