Structure of PDB 5h1w Chain B Binding Site BS01

Receptor Information
>5h1w Chain B (length=270) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMKLSLVISTSDAAFDALAFKGDLRKGMELAKRVGYQAVEIAVRDPSIVD
WNEVKILSEELNLPICAIGTGQAYLADGLSLTHPNDEIRKKAIERVVKHT
EVAGMFGALVIIGLVRGRREGRSYEETEELFIESMKRLLELTEHAKFVIE
PLNRYETDFINTIDDALRILRKINSNRVGILADTFHMNIEEVNIPESLKR
AGEKLYHFHVADSNRWAPGCGHFDFRSVFNTLKEIGYNRYVSVECLPLPG
GMEEAAEIAFKTLKELIIKL
Ligand information
Ligand IDLER
InChIInChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m0/s1
InChIKeyUQPHVQVXLPRNCX-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(O)C(C(CO)O)=O
OpenEye OEToolkits 1.9.2C([C@@H](C(=O)CO)O)O
CACTVS 3.385OC[CH](O)C(=O)CO
OpenEye OEToolkits 1.9.2C(C(C(=O)CO)O)O
CACTVS 3.385OC[C@H](O)C(=O)CO
FormulaC4 H8 O4
NameL-Erythrulose;
(3S)-1,3,4-trihydroxybutan-2-one
ChEMBL
DrugBank
ZINCZINC000000901231
PDB chain5h1w Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5h1w TM0416, a Hyperthermophilic Promiscuous Nonphosphorylated Sugar Isomerase, Catalyzes Various C5and C6Epimerization Reactions
Resolution1.631 Å
Binding residue
(original residue number in PDB)		E149 L151 E155 H185 H208 R214 E243
Binding residue
(residue number reindexed from 1)		E150 L152 E156 H186 H209 R215 E244
Annotation score5
Enzymatic activity
Enzyme Commision number 5.1.3.-
5.3.1.-
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0006020 inositol metabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5h1w, PDBe:5h1w, PDBj:5h1w
PDBsum5h1w
PubMed28258150
UniProtQ9WYP7|IOLO_THEMA 5-keto-L-gluconate epimerase (Gene Name=iolO)

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