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Gfi-1 zinc fingers 3-5 complexed with DNA

Analyse Gfi-1 zinc fingers 3-5 complexed with DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2KMK
Type
protein + DNA
Length
114 residues
Chains
3
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Zinc finger protein gfi-1; DNA (5'-D(*CP*AP*TP*AP*AP*AP*TP*CP*AP*CP*TP*GP*CP*CP*TP*A)…
UniProt
Q07120
Ligands
ZN
Pockets
4 · best druggability 0.56

Structure

solution nmr · 3 distinct chains · 43% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AZinc finger protein gfi-1protein8243% helix, 15% strandQ07120
BDNA (5'-D(*CP*AP*TP*AP*AP*AP*TP*CP*AP*CP*TP*GP*CP*CP*TP*A)- 3')dna16——
CDNA (5'-D(*TP*AP*GP*GP*CP*AP*GP*TP*GP*AP*TP*TP*TP*AP*TP*G)- 3')dna16——

Ligands and binding sites

  • ZN · Zinc ion · metal · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11680.560.8119empty
2920.420.7816empty
3760.390.7815empty
4500.240.7315empty

Interfaces

3 interfaces between chains.

  • A–B · 852 Ų buried · 8 hydrogen bonds · protein-nucleic
  • B–C · 740 Ų buried · 60 hydrogen bonds · nucleic-nucleic
  • A–C · 520 Ų buried · 9 hydrogen bonds · protein-nucleic

Compared structures

  • 2KMK · Gfi-1 Zinc Fingers 3-5 complexed with DNA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q07120 · AlphaFold monomer V2.0 prediction for zinc finger protein gfi-1 (Q07120) · a predicted model of the same protein · chain A against A, TM-score 0.82

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