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Crystal structure of PAFAN1 bound to 2NT 5'FLAP DNA with gap

Analyse Crystal structure of PAFAN1 bound to 2NT 5'FLAP DNA with gap in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Y7Q
Type
protein + DNA
Length
582 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fanconi-associated nuclease 1 homolog; DNA (5'-D(P*GP*TP*TP*GP*GP*GP*AP*TP*TP*G)-3'); DNA…
EC
3.1.4.1
UniProt
Q9I2N0
Pockets
6 · best druggability 0.71

Structure

x-ray diffraction · 4 distinct chains · 53% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFanconi-associated nuclease 1 homolog (EC 3.1.4.1)protein54653% helix, 10% strandQ9I2N0
DDNA (5'-D(P*GP*TP*TP*GP*GP*GP*AP*TP*TP*G)-3')dna10——
BDNA (5'-D(*TP*TP*CP*AP*CP*AP*CP*AP*TP*TP*CP*AP*A)-3')dna7——
CDNA (5'- D(P*GP*AP*AP*TP*GP*TP*GP*TP*GP*TP*CP*TP*CP*AP*AP*TP*CP*CP*CP*AP*AP*CP *TP*T)-3')dna19——

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18870.710.7763empty
23410.650.8035empty
35740.630.7561empty
44650.610.7633empty
5630.290.7517empty

Interfaces

5 interfaces between chains.

  • A–C · 916 Ų buried · 21 hydrogen bonds · protein-nucleic
  • D–C · 456 Ų buried · 36 hydrogen bonds · nucleic-nucleic
  • A–D · 412 Ų buried · 10 hydrogen bonds · protein-nucleic
  • B–C · 260 Ų buried · 19 hydrogen bonds · nucleic-nucleic
  • A–B · 186 Ų buried · 0 hydrogen bonds · protein-nucleic

Compared structures

  • 5Y7Q · Crystal structure of paFAN1 bound to 2nt 5'flap DNA with gap · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9I2N0 · AlphaFold monomer V2.0 prediction for fanconi-associated nuclease 1 homolog (Q9I2N0) · a predicted model of the same protein · chain A against A, TM-score 0.98

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