MolNFT v1 · #47879 · protein

Apo wild-type HIV protease in the open conformation

2PC0: “Apo wild-type HIV protease in the open conformation”. X-ray diffraction, 1 ligand (MG), 2 pockets (best druggability 0.49). MolNFT v1 #47879 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2PC0
Type: protein
Length: 99 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protease
EC: 3.4.23.16
UniProt: A3FH86
Ligands: MG
Pockets: 2 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protease (EC 3.4.23.16)	protein	99	6% helix, 47% strand	A3FH86

Ligands and binding sites

MG · Magnesium ion · metal · chains A
PGR · R-1,2-propanediol · additive · 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	137	0.49	0.78	21	empty
2	56	0.27	0.73	16	empty

Compared structures

2PC0 · Apo Wild-type HIV Protease in the open conformation · 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 A3FH86
Elsewhere: RCSB PDB 2PC0 · PDBe 2PC0 · UniProt A3FH86

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