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MolNFT v1 · #116656 · protein

Crystal structure of the bromodomain of human brm (SMARCA2) in complex with pfi-3 chemical probe

5DKC · Probable global transcription activator SNF2L2: “Crystal structure of the bromodomain of human brm (SMARCA2) in complex with pfi-3 chemical probe”. X-ray diffraction, 2 ligands (5BW, ZN), 1 pocket (best druggability 0.49). MolNFT v1…

PDB
5DKC
Type
protein
Length
110 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable global transcription activator SNF2L2
EC
3.6.4.-
UniProt
P51531
Ligands
5BW, ZN
Pockets
1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable global transcription activator SNF2L2 (EC 3.6.4.-)protein11065% helix, 2% strandP51531

Ligands and binding sites

  • 5BW · (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one · ligand · chains A
  • ZN · Zinc ion · metal · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1550.490.85155BW

Compared structures

  • 5DKC · Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with PFI-3… · the same entry in another collection · chain A against A, TM-score 1.00
  • P51531 · AlphaFold monomer V2.0 prediction for probable global transcription activator SNF2L2… · a predicted model of the same protein · chain A against A, TM-score 0.97

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