MolNFT v1 · #9235 · protein

Human immunodeficiency virus type 1

1HPZ · Pol polyprotein: “Human immunodeficiency virus type 1”. X-ray diffraction, 1 ligand (AAP), 15 pockets (best druggability 0.83). MolNFT v1 #9235 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1HPZ
Type: protein
Length: 986 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pol polyprotein
EC: 2.7.7.49
UniProt: P03366
Ligands: AAP
Pockets: 15 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 29% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pol polyprotein (EC 2.7.7.49)	protein	556	29% helix, 18% strand	P03366
B	Pol polyprotein (EC 2.7.7.49)	protein	430	29% helix, 17% strand	P03366

Ligands and binding sites

AAP · Alpha-(2,6-dichlorophenyl)-alpha-(2-acetyl-5-methylanilino)acetamide · ligand · chains A, B

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

Pockets

15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1034	0.83	0.83	94	empty
2	1095	0.80	0.81	108	AAP
3	615	0.74	0.80	57	empty
4	237	0.65	0.83	38	empty
5	73	0.60	0.90	28	empty

Interfaces

1 interface between chains.

A–B · 2496 Å² buried · 25 hydrogen bonds · protein-protein

Compared structures

1HPZ · Human immunodeficiency virus type 1 · 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 P03366
Elsewhere: RCSB PDB 1HPZ · PDBe 1HPZ · UniProt P03366

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