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Epstein-barr virus encoded BCL-2 homolog bhrf-1 in complex with bid BH3 peptide

Analyse Epstein-barr virus encoded BCL-2 homolog bhrf-1 in complex with bid BH3 peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7P33
Type
protein
Length
895 residues
Chains
10
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Apoptosis regulator BHRF1; BH3-interacting domain death agonist P15
UniProt
P03182, P55957
Ligands
PO4
Pockets
14 · best druggability 0.52

Structure

x-ray diffraction · 10 distinct chains · 74% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AApoptosis regulator BHRF1protein15475% helix, 0% strandP03182
BApoptosis regulator BHRF1protein15573% helix, 0% strandP03182
CApoptosis regulator BHRF1protein15274% helix, 0% strandP03182
DApoptosis regulator BHRF1protein15673% helix, 0% strandP03182
EApoptosis regulator BHRF1protein14874% helix, 0% strandP03182
GBH3-interacting domain death agonist P15protein3181% helix, 0% strandP55957
HBH3-interacting domain death agonist P15protein3060% helix, 0% strandP55957
FBH3-interacting domain death agonist P15protein2080% helix, 0% strandP55957
IBH3-interacting domain death agonist P15protein2374% helix, 0% strandP55957
JBH3-interacting domain death agonist P15protein2681% helix, 0% strandP55957

Ligands and binding sites

  • PO4 · Phosphate ion · ion
  • EDO · 1,2-ethanediol · additive · chains C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12410.520.7628empty
21830.520.7837empty
3710.470.8315empty
4920.450.8020empty
51930.440.7322empty

Interfaces

16 interfaces between chains.

  • A–G · 893 Ų buried · 9 hydrogen bonds · protein-protein
  • E–J · 876 Ų buried · 5 hydrogen bonds · protein-protein
  • B–F · 858 Ų buried · 6 hydrogen bonds · protein-protein
  • D–I · 809 Ų buried · 4 hydrogen bonds · protein-protein
  • C–H · 801 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 7P33 · Epstein-Barr virus encoded Bcl-2 homolog BHRF-1 in complex with Bid BH3 peptide · the same entry in another collection · chain D against D, TM-score 1.00
  • P55957 · AlphaFold monomer V2.0 prediction for BH3-interacting domain death agonist (P55957) · a predicted model of the same protein · chain I against A, TM-score 0.67

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