Structure of PDB 7uf7 Chain A Binding Site BS02

Receptor Information
>7uf7 Chain A (length=141) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSH
GSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKL
LSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR
Ligand information
Ligand IDN2Q
InChIInChI=1S/C8H8N2O/c1-6-2-3-8(11-6)7-4-5-9-10-7/h2-5H,1H3,(H,9,10)
InChIKeyZIJASYNQNLPMPY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Cc1ccc(o1)c1[NH]ncc1
OpenEye OEToolkits 2.0.7Cc1ccc(o1)c2ccn[nH]2
CACTVS 3.385Cc1oc(cc1)c2[nH]ncc2
FormulaC8 H8 N2 O
Name(5P)-5-(5-methylfuran-2-yl)-1H-pyrazole
ChEMBL
DrugBank
ZINCZINC000032501645
PDB chain7uf7 Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7uf7 Improving the antisickling activity of furaldehyde
Resolution2.0 Å
Binding residue
(original residue number in PDB)		V1 K127 S131
Binding residue
(residue number reindexed from 1)		V1 K127 S131
Annotation score1
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:7uf7, PDBe:7uf7, PDBj:7uf7
PDBsum7uf7
PubMed
UniProtP69905|HBA_HUMAN Hemoglobin subunit alpha (Gene Name=HBA1)

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