Research workbench
Identification of cys 255 in hif-1 as a novel site for development of covalent inhibitors of hif-1 /arnt pasb domain protein-protein interaction.
Analyse Identification of cys 255 in hif-1 as a novel site for development of covalent… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4H6J
- Type
- protein
- Length
- 217 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxia inducible factor 1-alpha; Aryl hydrocarbon nuclear translocator
- UniProt
- Q16665, P27540
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxia inducible factor 1-alpha | protein | 106 | 25% helix, 40% strand | Q16665 |
| B | Aryl hydrocarbon nuclear translocator | protein | 111 | 23% helix, 36% strand | P27540 |
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.44 | 0.84 | 18 | empty |
| 2 | 76 | 0.33 | 0.75 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 934 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4H6J · Identification of Cys 255 in HIF-1 as a novel site for development of covalent inhibitors… · the same entry in another collection · chain A against A, TM-score 1.00
- Q16665 · AlphaFold monomer V2.0 prediction for hypoxia-inducible factor 1-alpha (Q16665) · a predicted model of the same protein · chain A against A, TM-score 0.97
- P27540 · AlphaFold monomer V2.0 prediction for aryl hydrocarbon receptor nuclear translocator… · a predicted model of the same protein · chain B against A, TM-score 0.95
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 Q16665
- Every structure of UniProt P27540
- Elsewhere: RCSB PDB 4H6J · PDBe 4H6J · UniProt Q16665 · UniProt P27540
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