4INB: N-Terminal Domain of HIV-1 Capsid

Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With benzodiazepine Inhibitor. Determined by X-ray diffraction at 1.8 Å resolution. Released 27 Feb 2013.

Method: X-ray diffraction
Resolution: 1.8 Å
Organism: Human immunodeficiency virus 1
Chains: 1
Atoms: 1,253
Mol. weight: 16.65 kDa
Ligands: 1F6
Released: 27 Feb 2013

Explore 4INB in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4INB contains 9 α-helices and 2 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 9 helices, 2 β-strands

Element	Residues	Length	Sheet
β-strand	2-4	3	1
β-strand	10-12	3	1
α-helix	14-16	3
α-helix	17-29	13
α-helix	36-43	8
α-helix	49-59	11
α-helix	63-83	21
α-helix	95-99	5
α-helix	101-104	4
α-helix	111-118	8
α-helix	126-142	17

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Gag protein	A	protein	146	Human immunodeficiency virus 1	A9PKC6

Sequence of entity 1 (A), FASTA

>4INB_1 Gag protein (chains A)
PIVQNLQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVG
GHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTH
NPPIPVGEIYKRWIILGLNKIVRMYS

Ligands and cofactors

ID	Name	Formula	Copies
1F6	(3Z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethy…	C21 H20 F3 N3 O3	1

Water and common crystallization additives (NA) are not listed.

Primary citation

Monitoring Binding of HIV-1 Capsid Assembly Inhibitors Using (19) F Ligand-and (15) N Protein-Based NMR and X-ray Crystallography: Early Hit Validation of a Benzodiazepine Series. Goudreau, N., Coulombe, R., Faucher, A.M. et al. ChemMedChem (2013) 8:405-414. DOI 10.1002/cmdc.201200580 · PubMed

Other PDB entries of the same protein (UniProt A9PKC6), best resolution first:

5HGK 1.76 Å, HIV-1 CA N-terminal domain, open conformation
4B4N 1.81 Å, CPSF6 defines a conserved capsid interface that modulates HIV-1 replication

Browse structure collections

About this viewer

MolViewer shows 4INB directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.