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Crystal structure of the artificial alpharep-7 OCTARELLINV.1 complex

Analyse Crystal structure of the artificial alpharep-7 OCTARELLINV.1 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4ZV6
Type
protein
Length
433 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alpharep-7; Octarellin V.1
Pockets
5 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAlpharep-7protein27878% helix, 0% strand—
BOctarellin V.1protein15548% helix, 15% strand—

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14730.730.8135empty
2730.550.8718empty
31540.470.7724empty
4950.380.7613empty
5890.380.7613empty

Interfaces

1 interface between chains.

  • A–B · 1585 Ų buried · 27 hydrogen bonds · protein-protein

Compared structures

  • 4ZV6 · Crystal structure of the artificial alpharep-7 octarellinV.1 complex · the same entry in another collection · chain A against A, TM-score 1.00

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