MolNFT v1 · #17572 · protein
Structure and function analysis of peptide antagonists of melanoma inhibitor of apoptosis (ml-iap)
1OXN · Baculoviral iap repeat-containing protein 7: “Structure and function analysis of peptide antagonists of melanoma inhibitor of apoptosis (ml-iap)”. X-ray diffraction, 1 ligand (ZN), 6 pockets (best druggability 0.76). MolNFT v1…
- PDB
- 1OXN
- Type
- protein
- Length
- 499 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Baculoviral iap repeat-containing protein 7; Aeavpwkse peptide
- UniProt
- Q96CA5
- Ligands
- ZN
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 5 distinct chains · 44% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Baculoviral iap repeat-containing protein 7 | protein | 99 | 44% helix, 11% strand | Q96CA5 |
| B, C | Baculoviral iap repeat-containing protein 7 | protein | 101 | 46% helix, 13% strand | Q96CA5 |
| D | Baculoviral iap repeat-containing protein 7 | protein | 100 | 41% helix, 11% strand | Q96CA5 |
| E | Baculoviral iap repeat-containing protein 7 | protein | 94 | 46% helix, 10% strand | Q96CA5 |
| F | Aeavpwkse peptide | protein | 4 | 0% helix, 50% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 5 copies · chains A, B, C, D, E
- P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol · additive · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 980 | 0.76 | 0.78 | 87 | P33 |
| 2 | 88 | 0.75 | 0.97 | 31 | empty |
| 3 | 90 | 0.74 | 0.96 | 30 | empty |
| 4 | 313 | 0.56 | 0.76 | 27 | empty |
| 5 | 185 | 0.42 | 0.73 | 20 | empty |
Interfaces
7 interfaces between chains.
- A–D · 1085 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 1075 Ų buried · 21 hydrogen bonds · protein-protein
- B–D · 398 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 376 Ų buried · 2 hydrogen bonds · protein-protein
- D–E · 364 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 1OXN · Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis… · the same entry in another collection · chain F against F, TM-score 1.00
- Q96CA5 · AlphaFold monomer V2.0 prediction for baculoviral iap repeat- containing protein 7… · a predicted model of the same protein · chain E against A, TM-score 0.97
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 Q96CA5
- Elsewhere: RCSB PDB 1OXN · PDBe 1OXN · UniProt Q96CA5
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