Structure of PDB 6bnr Chain A

Receptor sequence

>6bnrA (length=141) Species: 9606 (Homo sapiens)

VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSH
GSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKL
LSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR

3D structure

• PDB: 6bnr Rational design of pyridyl derivatives of vanillin for the treatment of sickle cell disease.
• Chain: A
• Resolution: 1.95 Å

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	HEM	A	Y42 F43 H45 F46 H58 K61 L83 L86 H87 L91 V93 N97 F98 L101 L136	Y42 F43 H45 F46 H58 K61 L83 L86 H87 L91 V93 N97 F98 L101 L136
BS02	E0J	A	V1 A130 S131 T134	V1 A130 S131 T134
BS03	E0J	A	V1 T134	V1 T134

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

External links

• PDB: RCSB:6bnr, PDBe:6bnr, PDBj:6bnr
• PDBsum: 6bnr
• PubMed: 29655608
• UniProt: P69905|HBA_HUMAN Hemoglobin subunit alpha (Gene Name=HBA1)