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Crystal structure of AL2 pal domain in complex with ATBMI1B binding site

Analyse Crystal structure of AL2 pal domain in complex with ATBMI1B binding site in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Y53
Type
protein
Length
540 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phd finger protein alfin-like 2; ATBMI1B binding site
EC
2.3.2.27
UniProt
Q9SRM4, Q9M9Y4
Pockets
9 · best druggability 0.74

Structure

x-ray diffraction · 4 distinct chains · 54% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhd finger protein alfin-like 2protein13258% helix, 8% strandQ9SRM4
B, C, EPhd finger protein alfin-like 2protein13155% helix, 6% strandQ9SRM4
DATBMI1B binding site (EC 2.3.2.27)protein80% helix, 25% strandQ9M9Y4
FATBMI1B binding site (EC 2.3.2.27)protein70% helix, 29% strandQ9M9Y4

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12120.740.8938empty
22530.740.8838empty
3630.720.9817empty
4630.720.9819empty
511740.720.7576empty

Interfaces

7 interfaces between chains.

  • A–B · 1471 Ų buried · 12 hydrogen bonds · protein-protein
  • C–E · 1462 Ų buried · 8 hydrogen bonds · protein-protein
  • C–F · 348 Ų buried · 11 hydrogen bonds · protein-protein
  • A–D · 345 Ų buried · 8 hydrogen bonds · protein-protein
  • B–D · 340 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5Y53 · Crystal structure of AL2 PAL domain in complex with AtBMI1b binding 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 1.00
  • Q9M9Y4 · AlphaFold monomer V2.0 prediction for E3 ubiquitin protein ligase DRIP1 (Q9M9Y4) · a predicted model of the same protein · chain F against A, TM-score 0.49

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