MolNFT v1 · #81166 · protein
Crystal structure of human survivin K62Y/H80W mutant in complex with SMAC/DIABLO(1-15) peptide
3UIJ · Baculoviral iap repeat-containing protein 5: “Crystal structure of human survivin K62Y/H80W mutant in complex with SMAC/DIABLO(1-15) peptide”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.77). MolNFT v1 #81166 on…
- PDB
- 3UIJ
- Type
- protein
- Length
- 279 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Baculoviral iap repeat-containing protein 5; Diablo homolog, mitochondrial
- UniProt
- O15392, Q9NR28
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 53% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Baculoviral iap repeat-containing protein 5 | protein | 136 | 56% helix, 7% strand | O15392 |
| P | Diablo homolog, mitochondrial | protein | 4 | 0% helix, 50% strand | Q9NR28 |
| Q | Diablo homolog, mitochondrial | protein | 3 | 0% helix, 33% strand | Q9NR28 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 123 | 0.77 | 0.94 | 18 | empty |
| 2 | 102 | 0.52 | 0.82 | 20 | empty |
| 3 | 109 | 0.47 | 0.79 | 21 | empty |
Interfaces
3 interfaces between chains.
- A–B · 608 Ų buried · 11 hydrogen bonds · protein-protein
- A–P · 330 Ų buried · 7 hydrogen bonds · protein-protein
- B–Q · 228 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3UIJ · Crystal structure of human Survivin K62Y/H80W mutant in complex with Smac/DIABLO(1-15)… · the same entry in another collection · chain Q against Q, 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 B against A, TM-score 0.98
- Q9NR28 · AlphaFold monomer V2.0 prediction for diablo homolog, mitochondrial (Q9NR28) · a predicted model of the same protein · chain P against A, TM-score 0.93
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 Q9NR28
- Elsewhere: RCSB PDB 3UIJ · PDBe 3UIJ · UniProt O15392 · UniProt Q9NR28
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