Structure of PDB 7nzq Chain AAA Binding Site BS01

Receptor Information
>7nzq Chain AAA (length=178) 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
DEGAIVSEFSSQSIDEKDIFTDPNVKRI
Ligand information
Ligand IDBMA
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain7nzq Chain AAA 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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PDB7nzq Biochemical and Structural Characterisation of a Novel D-Lyxose Isomerase From the Hyperthermophilic Archaeon Thermofilum sp.
Resolution1.57 Å
Binding residue
(original residue number in PDB)		K62 H75 H77 K86 E88 E156 D163 R175
Binding residue
(residue number reindexed from 1)		K64 H77 H79 K88 E90 E158 D165 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:7nzq, PDBe:7nzq, PDBj:7nzq
PDBsum7nzq
PubMed34422783
UniProtA0A256XLS3|DLYKI_THEX4 D-lyxose ketol-isomerase (Gene Name=B6U94_07925)

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