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MolNFT v1 · #117284 · protein

Crystal structure of the human BRPF1 bromodomain in complex with SEED8

5E3G · Peregrin: “Crystal structure of the human BRPF1 bromodomain in complex with SEED8”. X-ray diffraction, 2 ligands (5JQ, NO3), 1 pocket (best druggability 0.50). MolNFT v1 #117284 on GenesisL1: 3D structure, binding sites and pockets…

PDB
5E3G
Type
protein
Length
112 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peregrin
UniProt
P55201
Ligands
5JQ, NO3
Pockets
1 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeregrinprotein11265% helix, 0% strandP55201

Ligands and binding sites

  • 5JQ · 2-thioxo-2,3,7,9-tetrahydro-1H-purine-6,8-dione · ligand · chains A
  • NO3 · Nitrate ion · ion · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1840.500.83175JQ

Compared structures

  • 5E3G · Crystal structure of the human BRPF1 bromodomain in complex with SEED8 · the same entry in another collection · chain A against A, TM-score 1.00
  • P55201 · AlphaFold monomer V2.0 prediction for peregrin (P55201) · a predicted model of the same protein · chain A against A, TM-score 0.96

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