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HIV-1 capsid C-terminal domain mutant (L211S) in complex with an inhibitor of particle assembly (cai)

Analyse HIV-1 capsid C-terminal domain mutant (L211S) in complex with an inhibitor of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3DS4
Type: protein
Length: 164 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: HIV-1 capsid protein; Peptide inhibitor of capsid assembly
UniProt: Q72497
Pockets: 1 · best druggability 0.40

Structure

x-ray diffraction · 3 distinct chains · 62% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	HIV-1 capsid protein	protein	77	64% helix, 0% strand	Q72497
B	HIV-1 capsid protein	protein	75	60% helix, 0% strand	Q72497
T	Peptide inhibitor of capsid assembly	protein	12	67% helix, 0% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	99	0.40	0.76	19	empty

Interfaces

2 interfaces between chains.

A–T · 712 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 523 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

3DS4 · HIV-1 capsid C-terminal domain mutant (L211S) in complex with an inhibitor of particle… · 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 Q72497
Elsewhere: RCSB PDB 3DS4 · PDBe 3DS4 · UniProt Q72497

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