MolNFT v1 · #74357 · protein

MDR769 HIV-1 protease complexed with P2/NC hepta-peptide

3OUC · Mdr HIV-1 protease: “MDR769 HIV-1 protease complexed with P2/NC hepta-peptide”. X-ray diffraction, 1 pocket (best druggability 0.68). MolNFT v1 #74357 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3OUC
Type: protein
Length: 205 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mdr HIV-1 protease; P2/NC substrate peptide
UniProt: Q000H7, Q9YP46
Pockets: 1 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Mdr HIV-1 protease	protein	99	7% helix, 54% strand	Q000H7
P	P2/NC substrate peptide	protein	7	0% helix, 14% strand	Q9YP46

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	460	0.68	0.79	34	empty

Interfaces

3 interfaces between chains.

A–B · 1540 Å² buried · 36 hydrogen bonds · protein-protein
B–P · 425 Å² buried · 12 hydrogen bonds · protein-protein
A–P · 377 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3OUC · MDR769 HIV-1 protease complexed with p2/NC hepta-peptide · 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
Every structure of UniProt Q9YP46
Elsewhere: RCSB PDB 3OUC · PDBe 3OUC · UniProt Q000H7 · UniProt Q9YP46

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