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MolNFT v1 · #150657 · protein

Structure of DDB1-crbn-pomalidomide complex bound to IKZF1(ZF2)

6H0F · DNA damage-binding protein 1,DNA damage-binding protein 1…: “Structure of DDB1-crbn-pomalidomide complex bound to IKZF1(ZF2)”. X-ray diffraction, 2 ligands (Y70, ZN), 20 pockets (best druggability 0.86). MolNFT v1 #150657 on…

PDB
6H0F
Type
protein
Length
4,940 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA damage-binding protein 1,DNA damage-binding protein 1, DNA damage-binding protein…
UniProt
Q96SW2, Q13422
Ligands
Y70, ZN
Pockets
20 · best druggability 0.86

Structure

x-ray diffraction · 5 distinct chains · 11% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, GDNA damage-binding protein 1,DNA damage-binding protein 1, DNA damage-binding protein 1,DNA damage-binding protein 1protein8268% helix, 51% strand—
B, E, H, KProtein cereblonprotein37428% helix, 33% strandQ96SW2
C, F, I, LDNA-binding protein ikarosprotein3238% helix, 13% strandQ13422
DDNA damage-binding protein 1,DNA damage-binding protein 1, DNA damage-binding protein 1,DNA damage-binding protein 1protein8218% helix, 50% strand—
JDNA damage-binding protein 1,DNA damage-binding protein 1, DNA damage-binding protein 1,DNA damage-binding protein 1protein8438% helix, 49% strand—

Ligands and binding sites

  • Y70 · S-Pomalidomide · ligand · 4 copies · chains B, C, E, F, H, I, K, L
  • ZN · Zinc ion · metal · 8 copies · chains B, C, E, F, H, I, K, L

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111240.860.8784empty
211500.860.8797empty
39510.840.8596empty
46100.840.8947empty
510070.840.85101empty

Interfaces

21 interfaces between chains.

  • G–H · 2662 Ų buried · 27 hydrogen bonds · protein-protein
  • D–E · 2602 Ų buried · 26 hydrogen bonds · protein-protein
  • J–K · 2514 Ų buried · 24 hydrogen bonds · protein-protein
  • A–B · 2514 Ų buried · 24 hydrogen bonds · protein-protein
  • D–G · 583 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 6H0F · Structure of DDB1-CRBN-pomalidomide complex bound to IKZF1(ZF2) · the same entry in another collection · chain L against L, TM-score 1.00

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