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The structure of the bir domain of iap-like protein 2

Analyse The structure of the bir domain of iap-like protein 2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1XB1
Type
protein
Length
593 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Baculoviral iap repeat-containing protein 8; Diablo homolog, mitochondrial
UniProt
Q96P09, Q9NR28
Ligands
ZN
Pockets
8 · best druggability 0.48

Structure

x-ray diffraction · 4 distinct chains · 38% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, DBaculoviral iap repeat-containing protein 8protein9042% helix, 10% strandQ96P09
G, H, I, J, K, LDiablo homolog, mitochondrialprotein50% helix, 40% strandQ9NR28
B, EBaculoviral iap repeat-containing protein 8protein10234% helix, 9% strandQ96P09
FBaculoviral iap repeat-containing protein 8protein8942% helix, 10% strandQ96P09

Ligands and binding sites

  • ZN · Zinc ion · metal · 23 copies · chains A, B, F, C, D, E

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

8 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11220.480.7924ZN
21420.470.7826ZN
32170.470.7434empty
41860.460.7533empty
51910.450.7434ZN

Interfaces

18 interfaces between chains.

  • D–E · 539 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 524 Ų buried · 2 hydrogen bonds · protein-protein
  • D–J · 325 Ų buried · 8 hydrogen bonds · protein-protein
  • F–L · 322 Ų buried · 7 hydrogen bonds · protein-protein
  • C–I · 315 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 1XB1 · The Structure of the BIR domain of IAP-like protein 2 · the same entry in another collection · chain L against L, TM-score 1.00

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