Structure of PDB 1qxe Chain A Binding Site BS03
Receptor Information
>1qxe Chain A (length=141) Species:
9606
(Homo sapiens) [
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VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSH
GSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKL
LSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR
Ligand information
Ligand ID
FUX
InChI
InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
InChIKey
NOEGNKMFWQHSLB-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
OCc1oc(C=O)cc1
OpenEye OEToolkits 1.5.0
c1cc(oc1CO)C=O
ACDLabs 10.04
O=Cc1oc(cc1)CO
Formula
C6 H6 O3
Name
5-HYDROXYMETHYL-FURFURAL
ChEMBL
CHEMBL185885
DrugBank
DB12298
ZINC
ZINC000000900788
PDB chain
1qxe Chain A Residue 9001 [
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Receptor-Ligand Complex Structure
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PDB
1qxe
Structural basis for the potent antisickling effect of a novel class of five-membered heterocyclic aldehydic compounds
Resolution
1.85 Å
Binding residue
(original residue number in PDB)
V1 S131 T134
Binding residue
(residue number reindexed from 1)
V1 S131 T134
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0004601
peroxidase activity
GO:0005344
oxygen carrier activity
GO:0005506
iron ion binding
GO:0005515
protein binding
GO:0019825
oxygen binding
GO:0020037
heme binding
GO:0031720
haptoglobin binding
GO:0043177
organic acid binding
GO:0046872
metal ion binding
Biological Process
GO:0015670
carbon dioxide transport
GO:0015671
oxygen transport
GO:0030185
nitric oxide transport
GO:0042542
response to hydrogen peroxide
GO:0042744
hydrogen peroxide catabolic process
GO:0098869
cellular oxidant detoxification
Cellular Component
GO:0005576
extracellular region
GO:0005615
extracellular space
GO:0005829
cytosol
GO:0005833
hemoglobin complex
GO:0016020
membrane
GO:0031838
haptoglobin-hemoglobin complex
GO:0070062
extracellular exosome
GO:0071682
endocytic vesicle lumen
GO:0072562
blood microparticle
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1qxe
,
PDBe:1qxe
,
PDBj:1qxe
PDBsum
1qxe
PubMed
15341482
UniProt
P69905
|HBA_HUMAN Hemoglobin subunit alpha (Gene Name=HBA1)
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