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MolNFT v1 · #81792 · protein

Crystal structure of the peptide bound complex of the ankyrin repeat domains of human ANKRA2

3V31 · Ankyrin repeat family a protein 2: “Crystal structure of the peptide bound complex of the ankyrin repeat domains of human ANKRA2”. X-ray diffraction, 3 ligands (ACE, NA, CL). MolNFT v1 #81792 on GenesisL1: 3D structure, binding…

PDB
3V31
Type
protein
Length
183 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ankyrin repeat family a protein 2; Histone deacetylase 4
EC
3.5.1.98
UniProt
Q9H9E1, P56524
Ligands
ACE, NA, CL

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAnkyrin repeat family a protein 2protein16653% helix, 0% strandQ9H9E1
BHistone deacetylase 4 (EC 3.5.1.98)protein170% helix, 0% strandP56524

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains A, B
  • NA · Sodium ion · metal · 2 copies · chains A
  • CL · Chloride ion · ion · chains A

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

Interfaces

1 interface between chains.

  • A–B · 812 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 3V31 · Crystal Structure of the Peptide Bound Complex of the Ankyrin Repeat Domains of Human… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9H9E1 · AlphaFold monomer V2.0 prediction for ankyrin repeat family a protein 2 (Q9H9E1) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • P56524 · AlphaFold monomer V2.0 prediction for histone deacetylase 4 (P56524) · a predicted model of the same protein · chain B against A, TM-score 0.21

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