Structure of PDB 2hbd Chain A Binding Site BS02

Receptor Information
>2hbd 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 IDMNC
InChIInChI=1S/C2H3N/c1-3-2/h1H3
InChIKeyZRKSVHFXTRFQFL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
isocyanide
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[N+]#[C-]
FormulaC2 H3 N
NameMETHYL ISOCYANIDE
ChEMBL
DrugBankDB04337
ZINC
PDB chain2hbd Chain A Residue 143 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hbd Structure of Myoglobin-Ethyl Isocyanide: Histidine as a Swinging Door for Ligand Entry
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H58 V62
Binding residue
(residue number reindexed from 1)		H58 V62
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
View graph for
Cellular Component
External links
PDB RCSB:2hbd, PDBe:2hbd, PDBj:2hbd
PDBsum2hbd
PubMed
UniProtP69905|HBA_HUMAN Hemoglobin subunit alpha (Gene Name=HBA1)

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