MolNFT v1 · #90941 · protein

Crystal structure of multidrug-resistant clinical isolate 769 HIV-1 protease in complex with ritonavir

4EYR: “Crystal structure of multidrug-resistant clinical isolate 769 HIV-1 protease in complex with ritonavir”. X-ray diffraction, 1 ligand (RIT), 1 pocket (best druggability 0.59). MolNFT v1 #90941 on GenesisL1: 3D structure, binding…

PDB: 4EYR
Type: protein
Length: 198 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: HIV-1 protease
UniProt: Q000H7
Ligands: RIT
Pockets: 1 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 54% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	HIV-1 protease	protein	99	7% helix, 54% strand	Q000H7

Ligands and binding sites

RIT · Ritonavir · ligand · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	519	0.59	0.73	40	RIT

Interfaces

1 interface between chains.

A–B · 1554 Å² buried · 36 hydrogen bonds · protein-protein

Compared structures

4EYR · Crystal structure of multidrug-resistant clinical isolate 769 HIV-1 protease in complex… · 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 Q000H7
Elsewhere: RCSB PDB 4EYR · PDBe 4EYR · UniProt Q000H7

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