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Short PCSK9 delta-P' complex with FUSION2 peptide

Analyse Short PCSK9 delta-P' complex with FUSION2 peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5VLA
Type
protein
Length
376 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Proprotein convertase SUBTILISIN/KEXIN type 9…
EC
3.4.21.-
UniProt
Q8NBP7
Ligands
CA
Pockets
2 · best druggability 0.25

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProprotein convertase SUBTILISIN/KEXIN type 9 (EC 3.4.21.-)protein35230% helix, 29% strandQ8NBP7
ZThr-val-phe-thr-ser-TRP-glu-glu-tyr-leu-asp-TRP-val-met- pro-TRP-asn-leu-val-arg-ile-gly-leu-leuprotein2450% helix, 4% strand—

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1560.250.7315empty
2530.250.7217empty

Interfaces

1 interface between chains.

  • A–Z · 857 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 5VLA · Short PCSK9 delta-P' complex with Fusion2 peptide · the same entry in another collection · chain A against A, TM-score 1.00

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