Research workbench

N74D mutant of the HIV-1 capsid protein in complex with pf-3450074 (PF74)

Analyse N74D mutant of the HIV-1 capsid protein in complex with pf-3450074 (PF74) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7MKC
Type: protein
Length: 221 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Capsid protein
UniProt: B6DRA0
Ligands: 1B0, IOD
Pockets: 2 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Capsid protein	protein	221	58% helix, 3% strand	B6DRA0

Ligands and binding sites

1B0 · N-methyl-nalpha-[(2-methyl-1H-indol-3-yl)acetyl]-N-phenyl-L-phenylalaninamide · ligand · chains A
IOD · Iodide ion · ion · 6 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	77	0.36	0.76	16	1B0
2	55	0.29	0.75	16	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

7MKC · N74D mutant of the HIV-1 capsid protein in complex with PF-3450074 (PF74) · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt B6DRA0
Elsewhere: RCSB PDB 7MKC · PDBe 7MKC · UniProt B6DRA0

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