Research workbench
Factor inhibiting hif-1 alpha in complex with ZN(II), 3- (CARBOXYCARBONYL)CYCLOPENTANE-1-carboxylic acid, and consensus ankyrin repeat domain (20-mer)
Analyse Factor inhibiting hif-1 alpha in complex with ZN(II), 3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7A1Q
- Type
- protein
- Length
- 356 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxia-inducible factor 1-alpha inhibitor; Consensus ankyrin repeat domain
- EC
- 1.14.11.30, 1.14.11.-
- UniProt
- Q9NWT6
- Ligands
- QVQ, ZN, SO4
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxia-inducible factor 1-alpha inhibitor (EC 1.14.11.30, 1.14.11.-) | protein | 338 | 32% helix, 25% strand | Q9NWT6 |
| B | Consensus ankyrin repeat domain | protein | 18 | 33% helix, 0% strand | — |
Ligands and binding sites
- QVQ · 3-(carboxycarbonyl)cyclopentane-1-carboxylic acid · ligand · chains A, B
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 87 | 0.75 | 0.97 | 22 | ZN, QVQ |
| 2 | 211 | 0.56 | 0.79 | 34 | empty |
| 3 | 107 | 0.47 | 0.80 | 25 | empty |
| 4 | 113 | 0.43 | 0.78 | 26 | empty |
| 5 | 140 | 0.42 | 0.74 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1021 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 7A1Q · FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II)… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NWT6 · AlphaFold monomer V2.0 prediction for hypoxia-inducible factor 1-alpha inhibitor (Q9NWT6) · a predicted model of the same protein · chain A 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 Q9NWT6
- Elsewhere: RCSB PDB 7A1Q · PDBe 7A1Q · UniProt Q9NWT6
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