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MolNFT v1 · #157849 · protein + DNA

Crystal structure of the human FOXN3 DNA binding domain in complex with a forkhead-like (fhl) DNA sequence

6NCM · Forkhead box protein N3: “Crystal structure of the human FOXN3 DNA binding domain in complex with a forkhead-like (fhl) DNA sequence”. X-ray diffraction, 1 ligand (MG), 3 pockets (best druggability 0.74). MolNFT v1 #157849 on…

PDB
6NCM
Type
protein + DNA
Length
210 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Forkhead box protein N3; DNA (5'-D(*AP*TP*AP*GP*CP*GP*TP*CP*TP*TP*AP*GP*CP*AP*TP*G)- 3')…
UniProt
O00409
Ligands
MG
Pockets
3 · best druggability 0.74

Structure

x-ray diffraction · 4 distinct chains · 53% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AForkhead box protein N3protein9155% helix, 11% strandO00409
CDNA (5'-D(*AP*TP*AP*GP*CP*GP*TP*CP*TP*TP*AP*GP*CP*AP*TP*G)- 3')dna16——
DDNA (5'-D(*TP*CP*AP*TP*GP*CP*TP*AP*AP*GP*AP*CP*GP*CP*TP*A)- 3')dna16——
BForkhead box protein N3protein8752% helix, 11% strandO00409

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17410.740.7966empty
21600.460.7626empty
3510.430.8311empty

Interfaces

6 interfaces between chains.

  • C–D · 710 Ų buried · 63 hydrogen bonds · nucleic-nucleic
  • A–C · 464 Ų buried · 9 hydrogen bonds · protein-nucleic
  • A–D · 393 Ų buried · 6 hydrogen bonds · protein-nucleic
  • D–B · 313 Ų buried · 7 hydrogen bonds · protein-nucleic
  • C–B · 175 Ų buried · 1 hydrogen bond · protein-nucleic

Compared structures

  • 6NCM · Crystal structure of the human FOXN3 DNA binding domain in complex with a forkhead-like… · the same entry in another collection · chain A against A, TM-score 1.00
  • O00409 · AlphaFold monomer V2.0 prediction for forkhead box protein N3 (O00409) · a predicted model of the same protein · chain B against A, TM-score 0.96

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