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Structure of a borealin-incenp-survivin complex

Analyse Structure of a borealin-incenp-survivin complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6YIE
Type
protein
Length
473 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Baculoviral iap repeat-containing protein 5; Borealin; Inner centromere protein
UniProt
O15392, Q53HL2, Q9NQS7
Ligands
ZN
Pockets
5 · best druggability 0.70

Structure

x-ray diffraction · 6 distinct chains · 66% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABaculoviral iap repeat-containing protein 5protein13550% helix, 7% strandO15392
BBorealinprotein6289% helix, 2% strandQ53HL2
CInner centromere proteinprotein4090% helix, 0% strandQ9NQS7
DBaculoviral iap repeat-containing protein 5protein13348% helix, 7% strandO15392
EBorealinprotein6088% helix, 2% strandQ53HL2
FInner centromere proteinprotein4381% helix, 0% strandQ9NQS7

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, D

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1620.700.9616empty
25100.630.7644empty
31120.450.7824empty
41100.420.7724empty
5730.320.7416empty

Interfaces

7 interfaces between chains.

  • A–B · 1466 Ų buried · 14 hydrogen bonds · protein-protein
  • D–E · 1380 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 901 Ų buried · 1 hydrogen bond · protein-protein
  • E–F · 853 Ų buried · 1 hydrogen bond · protein-protein
  • A–C · 706 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 6YIE · Structure of a Borealin-INCENP-Survivin complex · the same entry in another collection · chain F against F, TM-score 1.00
  • O15392 · AlphaFold monomer V2.0 prediction for baculoviral iap repeat- containing protein 5… · a predicted model of the same protein · chain A against A, TM-score 0.95
  • Q53HL2 · AlphaFold monomer V2.0 prediction for borealin (Q53HL2) · a predicted model of the same protein · chain B against A, TM-score 0.89
  • Q9NQS7 · AlphaFold monomer V2.0 prediction for inner centromere protein (Q9NQS7) · a predicted model of the same protein · chain C against A, TM-score 0.74

Analyse

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