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MolNFT v1 · #94623 · protein + DNA

Binary complex of mouse tdt with ssdna and zn++

4I28 · DNA nucleotidylexotransferase: “Binary complex of mouse tdt with ssdna and zn++”. X-ray diffraction, 3 ligands (NA, ZN, MG), 1 pocket (best druggability 0.70). MolNFT v1 #94623 on GenesisL1: 3D structure, binding sites and pockets…

PDB
4I28
Type
protein + DNA
Length
357 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA nucleotidylexotransferase; 5'-D(*AP*AP*AP*AP*A)-3'
EC
2.7.7.31
UniProt
P09838
Ligands
NA, ZN, MG
Pockets
1 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA nucleotidylexotransferase (EC 2.7.7.31)protein35250% helix, 15% strandP09838
C5'-D(*AP*AP*AP*AP*A)-3'dna5——

Ligands and binding sites

  • NA · Sodium ion · metal · chains A, C
  • ZN · Zinc ion · metal · chains A, C
  • MG · Magnesium ion · metal · chains A, C

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
110430.700.7569MG

Interfaces

1 interface between chains.

  • A–C · 627 Ų buried · 17 hydrogen bonds · protein-nucleic

Compared structures

  • 4I28 · Binary complex of mouse TdT with ssDNA and Zn++ · the same entry in another collection · chain A against A, TM-score 1.00
  • P09838 · AlphaFold monomer V2.0 prediction for DNA nucleotidylexotransferase (P09838) · a predicted model of the same protein · chain A against A, TM-score 1.00

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