Het-PDB Navi2 (PDB: 4NI1)

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Ligands
Code	Name	Link
2JX	5-[(2r)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3h-1,2,4-triazole-3-thione	PoSSuM
CMO	Carbon monoxide	PoSSuM
HEM	Protoporphyrin ix containing Fe	PoSSuM
MBN	Toluene	PoSSuM

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Download interaction data: 4NI1

Code :

4NI1 PDBj RCSB PDB PDBe

Header :

OXYGEN TRANSPORT

Title :

Quaternary R CO-liganded hemoglobin structure in complex with a thiol containing compound

Release Data :

2014-09-17

Compound :

mol_id	molecule	chains	synonym
1	Hemoglobin subunit alpha	A	Alpha-globin, Hemoglobin alpha chain

mol_id	molecule	chains	synonym
2	Hemoglobin subunit beta	B	Beta-globin, Hemoglobin beta chain

Source :

mol_id	organism_scientific	organism_common
1	Homo sapiens (taxid:9606)	Human

mol_id	organism_scientific	organism_common
2	Homo sapiens (taxid:9606)	Human

Authors :

Safo, M.K., Meadows, J., Ko, T.-P., Nakagawa, A., Zapol, W.

Keywords :

allosteric, tetramer, oxygen transport, relaxed state, tense state, globin fold, Red blood cell

Exp. method :

X-RAY DIFFRACTION ( 1.90 Å )

Citation :

Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.

Nakagawa, A.,Lui, F.E.,Wassaf, D. et al.
(2014) Acs Chem.Biol. 9 : 2318 - 2325

PDB ID: 4NI1