MolNFT v1 · #96945 · protein
Structure of factor viia in complex with the inhibitor (2R)-2-[(1- aminoisoquinolin-6-YL)AMINO]-2-[3-ethoxy-4-(propan-2-YLOXY)PHENYL]-N- (PHENYLSULFONYL)ETHANAMIDE
4JYU · Factor VII light chain: “Structure of factor viia in complex with the inhibitor (2R)-2-[(1…”. X-ray diffraction, 3 ligands (1OK, CA, SO4), 3 pockets (best druggability 0.46). MolNFT v1 #96945 on GenesisL1: 3D structure, binding…
- PDB
- 4JYU
- Type
- protein
- Length
- 309 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Factor VII light chain; Factor VII heavy chain
- EC
- 3.4.21.21
- UniProt
- P08709
- Ligands
- 1OK, CA, SO4
- Pockets
- 3 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 15% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Factor VII light chain (EC 3.4.21.21) | protein | 254 | 15% helix, 37% strand | P08709 |
| L | Factor VII heavy chain (EC 3.4.21.21) | protein | 55 | 15% helix, 25% strand | P08709 |
Ligands and binding sites
- 1OK · (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(phenylsulfonyl)ethanamide · ligand · chains H
- CA · Calcium ion · metal · chains H
- SO4 · Sulfate ion · ion · 4 copies · chains H, L
- GOL · Glycerol · additive · 4 copies · chains H, L
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 | 62 | 0.46 | 0.83 | 17 | SO4 |
| 2 | 105 | 0.40 | 0.77 | 24 | 1OK |
| 3 | 92 | 0.36 | 0.75 | 16 | SO4 |
Interfaces
1 interface between chains.
- H–L · 1046 Ų buried · 15 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 4JYU · PDBe 4JYU · UniProt P08709
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