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MolNFT v1 · #105063 · protein + DNA

Complex of wopr domain of WOR1 in candida albicans with the 13BP dsdna

4QTJ · White-opaque regulator 1: “Complex of wopr domain of WOR1 in candida albicans with the 13BP dsdna”. X-ray diffraction, 2 pockets (best druggability 0.56). MolNFT v1 #105063 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
4QTJ
Type
protein + DNA
Length
180 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
White-opaque regulator 1; DNA (5'-D(*AP*AP*AP*AP*GP*TP*TP*TP*AP*AP*CP*TP*T)-3'); DNA…
UniProt
Q5AP80
Pockets
2 · best druggability 0.56

Structure

x-ray diffraction · 3 distinct chains · 25% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AWhite-opaque regulator 1protein15425% helix, 25% strandQ5AP80
BDNA (5'-D(*AP*AP*AP*AP*GP*TP*TP*TP*AP*AP*CP*TP*T)-3')dna13——
CDNA (5'-D(*AP*AP*GP*TP*TP*AP*AP*AP*CP*TP*TP*TP*T)-3')dna13——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12740.560.7728empty
21640.480.7826empty

Interfaces

3 interfaces between chains.

  • B–C · 579 Ų buried · 39 hydrogen bonds · nucleic-nucleic
  • A–C · 450 Ų buried · 6 hydrogen bonds · protein-nucleic
  • A–B · 387 Ų buried · 13 hydrogen bonds · protein-nucleic

Compared structures

  • 4QTJ · Complex of WOPR domain of Wor1 in Candida albicans with the 13bp dsDNA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5AP80 · AlphaFold monomer V2.0 prediction for white-opaque regulator 1 (Q5AP80) · a predicted model of the same protein · chain A against A, TM-score 0.99

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