MolNFT v1 · #32734 · protein
Orally available FACTOR7A inhibitor
2BZ6 · Blood coagulation factor viia: “Orally available FACTOR7A inhibitor”. X-ray diffraction, 3 ligands (346, CA, SO4), 3 pockets (best druggability 0.49). MolNFT v1 #32734 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2BZ6
- Type
- protein
- Length
- 307 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Blood coagulation factor viia
- EC
- 3.4.21.21
- UniProt
- P08709
- Ligands
- 346, CA, SO4
- Pockets
- 3 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Blood coagulation factor viia (EC 3.4.21.21) | protein | 254 | 15% helix, 37% strand | P08709 |
| L | Blood coagulation factor viia (EC 3.4.21.21) | protein | 53 | 8% helix, 30% strand | P08709 |
Ligands and binding sites
- 346 · (R)-(4-carbamimidoyl-phenylamino)-[5-ethoxy-2-fluoro-3-[(R)-tetrahydro-furan-3-yloxy]-phenyl]-acetic acid · ligand · chains H
- CA · Calcium ion · metal · chains H
- SO4 · Sulfate ion · ion · chains H
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 | 79 | 0.49 | 0.83 | 17 | empty |
| 2 | 149 | 0.42 | 0.74 | 22 | empty |
| 3 | 95 | 0.38 | 0.76 | 23 | 346 |
Interfaces
1 interface between chains.
- H–L · 1030 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
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 P08709
- Elsewhere: RCSB PDB 2BZ6 · PDBe 2BZ6 · UniProt P08709
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.