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MolNFT v1 · #180810 · protein

Crystal structure of the second bromodomain (BD2) of human BRD3 bound to ERK5-in-1

7LBT: “Crystal structure of the second bromodomain (BD2) of human BRD3 bound to ERK5-in-1”. X-ray diffraction, 1 ligand (VYJ). MolNFT v1 #180810 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7LBT
Type
protein
Length
441 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q15059
Ligands
VYJ

Structure

x-ray diffraction · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, D—protein111—Q15059
B—protein109—Q15059
C—protein110—Q15059

Ligands and binding sites

  • VYJ · 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one · ligand · 4 copies · chains A, B, C, D

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

Compared structures

  • 7LBT · Crystal structure of the second bromodomain (BD2) of human BRD3 bound to ERK5-IN-1 · the same entry in another collection · chain D against D, TM-score 1.00
  • Q15059 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 3 (Q15059) · a predicted model of the same protein · chain B against A, TM-score 0.98

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