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MolNFT v1 · #7582 · protein + DNA

Solution structure of the specific DNA complex of the zinc containing DNA binding domain of the erythroid transcription factor gata-1 by multidimensional NMR

1GAU · DNA (5'-D(P*AP*GP*AP*TP*AP*AP*AP*C)-3'): “Solution structure of the specific DNA complex of the zinc containing DNA binding domain of the erythroid…”. Solution nmr, 1 pocket (best druggability 0.61). MolNFT v1 #7582 on GenesisL1: 3D…

PDB
1GAU
Type
protein + DNA
Length
76 residues
Chains
3
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(P*AP*GP*AP*TP*AP*AP*AP*C)-3'); DNA (5'-D(P*GP*TP*TP*TP*AP*TP*CP*T)-3')…
UniProt
P17678
Pockets
1 · best druggability 0.61

Structure

solution nmr · 3 distinct chains · 17% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BDNA (5'-D(P*AP*GP*AP*TP*AP*AP*AP*C)-3')dna8——
CDNA (5'-D(P*GP*TP*TP*TP*AP*TP*CP*T)-3')dna8——
AErythroid transcription factor gata-1protein6017% helix, 13% strandP17678

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11740.610.8418empty

Interfaces

3 interfaces between chains.

  • C–A · 649 Ų buried · 13 hydrogen bonds · protein-nucleic
  • B–A · 335 Ų buried · 7 hydrogen bonds · protein-nucleic
  • B–C · 333 Ų buried · 28 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1GAU · Solution structure of the specific DNA complex of the zinc containing DNA binding domain… · the same entry in another collection · chain B against B, TM-score 1.00
  • P17678 · AlphaFold monomer V2.0 prediction for erythroid transcription factor (P17678) · a predicted model of the same protein · chain A against A, TM-score 0.72

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