MolNFT v1 · #151992 · protein

Crystal structure of I13V/I62V/V77I south african HIV-1 subtype C protease containing a D25A mutation

6I45: “Crystal structure of I13V/I62V/V77I south african HIV-1 subtype C protease containing a D25A mutation”. X-ray diffraction, 1 ligand (NA), 1 pocket (best druggability 0.53). MolNFT v1 #151992 on GenesisL1: 3D structure, binding sites…

PDB: 6I45
Type: protein
Length: 99 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protease
UniProt: Q50BW9
Ligands: NA
Pockets: 1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protease	protein	99	6% helix, 48% strand	Q50BW9

Ligands and binding sites

NA · Sodium ion · metal · chains A
PEG · Di(hydroxyethyl)ether · additive · chains A

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	169	0.53	0.78	22	empty

Compared structures

6I45 · Crystal structure of I13V/I62V/V77I South African HIV-1 subtype C protease containing a… · 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 Q50BW9
Elsewhere: RCSB PDB 6I45 · PDBe 6I45 · UniProt Q50BW9

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