Structure of PDB 7nzp Chain BBB Binding Site BS01

Receptor Information
>7nzp Chain BBB (length=182) Species: 2012527 (Thermofilum sp. ex4484_79) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMMLTKELVKEAREKAIRMLEKACIAITDEEKEKIEVTDFGLGVLYTFGL
EILVYVNNERYCAKELVMFPRQICPEHRHPPIGSYLGKQETFRCRWGEVY
LYVPGTPTPNPRARIPEEKKRYFTVWHEIVLRPGEQYTIPPNTLHWFQAG
DEGAIVSEFSSQSIDEKDIFTDPNVKRIPEIV
Ligand information
Ligand IDFRU
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain7nzp Chain BBB Residue 201 [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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PDB7nzp Biochemical and Structural Characterisation of a Novel D-Lyxose Isomerase From the Hyperthermophilic Archaeon Thermofilum sp.
Resolution1.345 Å
Binding residue
(original residue number in PDB)		K62 H75 H77 K86 E88 F90 F145 E156 D163 D166 R175
Binding residue
(residue number reindexed from 1)		K64 H77 H79 K88 E90 F92 F147 E158 D165 D168 R177
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.1.15: D-lyxose ketol-isomerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7nzp, PDBe:7nzp, PDBj:7nzp
PDBsum7nzp
PubMed34422783
UniProtA0A256XLS3|DLYKI_THEX4 D-lyxose ketol-isomerase (Gene Name=B6U94_07925)

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