Structure of PDB 1shr Chain B Binding Site BS04

Receptor Information
>1shr Chain B (length=146) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VHLTPEEKTAVNALWGKVNVDAVGGEALGRLLVVYPWTQRFFESFGDLSS
PDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFSQLSELHCDKLHVDP
ENFRLLGNVLVCVLARNFGKEFTPQMQAAYQKVVAGVANALAHKYH
Ligand information
Ligand IDCYN
InChIInChI=1S/CN/c1-2/q-1
InChIKeyXFXPMWWXUTWYJX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[C-]#N
FormulaC N
NameCYANIDE ION
ChEMBL
DrugBank
ZINC
PDB chain1shr Chain B Residue 809 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1shr Crystal structures of HbA2 and HbE and modeling of hemoglobin delta4: interpretation of the thermal stability and the antisickling effect of HbA2 and identification of the ferrocyanide binding site in Hb
Resolution1.88 Å
Binding residue
(original residue number in PDB)		H143 H146
Binding residue
(residue number reindexed from 1)		H143 H146
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0005344 oxygen carrier activity
GO:0005515 protein binding
GO:0019825 oxygen binding
GO:0020037 heme binding
GO:0031720 haptoglobin binding
GO:0031721 hemoglobin alpha binding
GO:0043177 organic acid binding
GO:0046872 metal ion binding
Biological Process
GO:0015670 carbon dioxide transport
GO:0015671 oxygen transport
GO:0042744 hydrogen peroxide catabolic process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005829 cytosol
GO:0005833 hemoglobin complex
GO:0031838 haptoglobin-hemoglobin complex
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:1shr, PDBe:1shr, PDBj:1shr
PDBsum1shr
PubMed15449937
UniProtP02042|HBD_HUMAN Hemoglobin subunit delta (Gene Name=HBD)

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