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

Analyse Solution structure of the specific DNA complex of the zinc containing DNA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1GAT
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
Ligands
ZN
Pockets
1 · best druggability 0.60

Structure

solution nmr · 3 distinct chains · 22% 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-1protein6022% helix, 13% strandP17678

Ligands and binding sites

  • 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11850.600.8318empty

Interfaces

3 interfaces between chains.

  • C–A · 650 Ų buried · 5 hydrogen bonds · protein-nucleic
  • B–A · 375 Ų buried · 4 hydrogen bonds · protein-nucleic
  • B–C · 337 Ų buried · 31 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1GAT · 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 0.73

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