MolNFT v1 · #170772 · protein
Structure of chromosomal passenger complex (cpc) bound to phosphorylated histone 3 peptide at 2.6 a.
6YIH · Baculoviral iap repeat-containing protein 5: “Structure of chromosomal passenger complex (cpc) bound to phosphorylated histone 3 peptide at 2.6 a.”. X-ray diffraction, 2 ligands (ZN, SO4), 3 pockets (best druggability 0.42). MolNFT…
- PDB
- 6YIH
- Type
- protein
- Length
- 240 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Baculoviral iap repeat-containing protein 5; Borealin; Inner centromere protein; Histone…
- UniProt
- O15392, Q53HL2, Q9NQS7, P68431
- Ligands
- ZN, SO4
- Pockets
- 3 · best druggability 0.42
Structure
x-ray diffraction · 4 distinct chains · 66% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Baculoviral iap repeat-containing protein 5 | protein | 135 | 53% helix, 7% strand | O15392 |
| B | Borealin | protein | 60 | 87% helix, 2% strand | Q53HL2 |
| C | Inner centromere protein | protein | 38 | 89% helix, 0% strand | Q9NQS7 |
| D | Histone H3.1 | protein | 7 | 0% helix, 29% strand | P68431 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.42 | 0.78 | 21 | empty |
| 2 | 54 | 0.30 | 0.76 | 15 | empty |
| 3 | 50 | 0.26 | 0.73 | 13 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1324 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 799 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 773 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 416 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 6YIH · Structure of Chromosomal Passenger Complex (CPC) bound to phosphorylated Histone 3… · the same entry in another collection · chain D against D, 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 0.96
- Q53HL2 · AlphaFold monomer V2.0 prediction for borealin (Q53HL2) · a predicted model of the same protein · chain B against A, TM-score 0.90
- Q9NQS7 · AlphaFold monomer V2.0 prediction for inner centromere protein (Q9NQS7) · a predicted model of the same protein · chain C against A, TM-score 0.71
- P68431 · AlphaFold monomer V2.0 prediction for histone H3.1 (P68431) · a predicted model of the same protein · chain D against A, TM-score 0.55
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O15392
- Every structure of UniProt Q53HL2
- Every structure of UniProt Q9NQS7
- Every structure of UniProt P68431
- Elsewhere: RCSB PDB 6YIH · PDBe 6YIH · UniProt O15392 · UniProt Q53HL2 · UniProt Q9NQS7 · UniProt P68431
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