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Crystal structure of AL2 pal domain in complex with ATRING1A distal site

Analyse Crystal structure of AL2 pal domain in complex with ATRING1A distal site in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5XVW
Type
protein
Length
548 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phd finger protein alfin-like 2; ATRING1A distal binding site
UniProt
Q9SRM4, F4K8U4
Pockets
10 · best druggability 0.74

Structure

x-ray diffraction · 4 distinct chains · 52% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhd finger protein alfin-like 2protein13256% helix, 8% strandQ9SRM4
B, C, EPhd finger protein alfin-like 2protein13157% helix, 6% strandQ9SRM4
DATRING1A distal binding siteprotein120% helix, 17% strandF4K8U4
FATRING1A distal binding siteprotein110% helix, 18% strandF4K8U4

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12430.740.8842empty
28970.730.7771empty
3640.730.9818empty
4650.720.9716empty
52090.720.8841empty

Interfaces

7 interfaces between chains.

  • C–E · 1504 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 1503 Ų buried · 9 hydrogen bonds · protein-protein
  • E–F · 582 Ų buried · 7 hydrogen bonds · protein-protein
  • B–D · 553 Ų buried · 3 hydrogen bonds · protein-protein
  • A–D · 413 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 5XVW · Crystal structure of AL2 PAL domain in complex with AtRing1a distal site · the same entry in another collection · chain F against F, TM-score 1.00
  • Q9SRM4 · AlphaFold monomer V2.0 prediction for phd finger protein alfin-like 2 (Q9SRM4) · a predicted model of the same protein · chain E against A, TM-score 0.99

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