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MolNFT v1 · #108043 · protein + DNA

Structure of the DNA binding ets domain of human ETV4 in complex with DNA

4UUV · Ets translocation variant 4: “Structure of the DNA binding ets domain of human ETV4 in complex with DNA”. X-ray diffraction, 11 pockets (best druggability 0.73). MolNFT v1 #108043 on GenesisL1: 3D structure, binding sites and…

PDB
4UUV
Type
protein + DNA
Length
911 residues
Chains
24
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ets translocation variant 4; 5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3'…
UniProt
P43268
Pockets
11 · best druggability 0.73

Structure

x-ray diffraction · 7 distinct chains · 48% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, PEts translocation variant 4protein9648% helix, 13% strandP43268
B, H, Q, T, W5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3'dna10——
C, I, L, O, X5'-D(*AP*CP*TP*TP*CP*CP*GP*GP*TP*CP)-3'dna9——
D, G, SEts translocation variant 4protein9548% helix, 13% strandP43268
E, K, N5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3'dna9——
F, R, U5'-D(*AP*CP*TP*TP*CP*CP*GP*GP*TP*CP)-3'dna10——
J, M, VEts translocation variant 4protein9449% helix, 13% strandP43268

Pockets

11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1550.730.9818empty
24790.720.8240empty
34990.710.8138empty
45670.660.7775empty
54390.560.7436empty

Interfaces

54 interfaces between chains.

  • D–G · 866 Ų buried · 1 hydrogen bond · protein-protein
  • A–P · 865 Ų buried · 2 hydrogen bonds · protein-protein
  • M–S · 862 Ų buried · 2 hydrogen bonds · protein-protein
  • J–V · 851 Ų buried · 1 hydrogen bond · protein-protein
  • J–L · 563 Ų buried · 14 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 4UUV · Structure of the DNA binding ETS domain of human ETV4 in complex with DNA · the same entry in another collection · chain J against J, TM-score 1.00

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