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MDR769 HIV-1 protease complexed with NC/P1 hepta-peptide

Analyse MDR769 HIV-1 protease complexed with NC/P1 hepta-peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3OUB
Type: protein
Length: 205 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mdr HIV-1 protease; NC/P1 substrate peptide
UniProt: Q000H7, Q9DZ78
Pockets: 1 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Mdr HIV-1 protease	protein	99	7% helix, 52% strand	Q000H7
P	NC/P1 substrate peptide	protein	7	0% helix, 14% strand	Q9DZ78

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	469	0.67	0.78	47	empty

Interfaces

3 interfaces between chains.

A–B · 1533 Å² buried · 39 hydrogen bonds · protein-protein
B–P · 449 Å² buried · 10 hydrogen bonds · protein-protein
A–P · 285 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

3OUB · MDR769 HIV-1 protease complexed with NC/p1 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 Q9DZ78
Elsewhere: RCSB PDB 3OUB · PDBe 3OUB · UniProt Q000H7 · UniProt Q9DZ78

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