MolNFT v1 · #101394 · protein

Crystal structure of HIV-1 protease multiple mutant P51

4NPU: “Crystal structure of HIV-1 protease multiple mutant P51”. X-ray diffraction, 1 pocket (best druggability 0.62). MolNFT v1 #101394 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4NPU
Type: protein
Length: 198 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protease
UniProt: O38896
Pockets: 1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 54% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Protease	protein	99	4% helix, 54% strand	O38896

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	604	0.62	0.74	44	empty

Interfaces

1 interface between chains.

A–B · 1617 Å² buried · 31 hydrogen bonds · protein-protein

Compared structures

4NPU · Crystal Structure of HIV-1 Protease Multiple Mutant P51 · 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 O38896
Elsewhere: RCSB PDB 4NPU · PDBe 4NPU · UniProt O38896

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