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MolNFT v1 · #21247 · protein + DNA

Solution structure of the CDC13 DNA-binding domain complexed with a single-stranded telomeric DNA 11-mer

1S40 · 5'-D(*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*G)-3': “Solution structure of the CDC13 DNA-binding domain complexed with a single-stranded telomeric DNA 11-mer”. Solution nmr, 3 pockets (best druggability 0.70). MolNFT v1 #21247 on GenesisL1…

PDB
1S40
Type
protein + DNA
Length
198 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*G)-3'; Cell division control protein 13
UniProt
P32797
Pockets
3 · best druggability 0.70

Structure

solution nmr · 2 distinct chains · 27% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B5'-D(*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*G)-3'dna11——
ACell division control protein 13protein18727% helix, 20% strandP32797

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11750.700.8728empty
2600.510.8611empty
3620.350.7816empty

Interfaces

1 interface between chains.

  • B–A · 1388 Ų buried · 30 hydrogen bonds · protein-nucleic

Compared structures

  • 1S40 · Solution structure of the CDC13 DNA-binding domain complexed with a single-stranded… · the same entry in another collection · chain B against B, TM-score 1.00
  • P32797 · AlphaFold monomer V2.0 prediction for cell division control protein 13 (P32797) · a predicted model of the same protein · chain A against A, TM-score 0.90

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