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

Analyse Complex of wopr domain of WOR1 in candida albicans with the 13BP dsdna in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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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