MolNFT v1 · #112853 · protein
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin- 6-YL)AMINO]-4,11-DIAZATRICYCLO[14.2.2.1~6,10~]HENICOSA-1(18),6(21),7, 9,16,19-hexaene-3,12-dione
4ZXY · Coagulation factor viia heavy chain: “Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin…”. X-ray diffraction, 3 ligands (4T1, CA, SO4), 4 pockets (best druggability 0.44). MolNFT v1 #112853 on GenesisL1: 3D…
- PDB
- 4ZXY
- Type
- protein
- Length
- 305 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coagulation factor viia heavy chain; Coagulation factor viia light chain
- EC
- 3.4.21.21
- UniProt
- P08709
- Ligands
- 4T1, CA, SO4
- Pockets
- 4 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 15% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Coagulation factor viia heavy chain (EC 3.4.21.21) | protein | 250 | 15% helix, 37% strand | P08709 |
| L | Coagulation factor viia light chain (EC 3.4.21.21) | protein | 55 | 16% helix, 25% strand | P08709 |
Ligands and binding sites
- 4T1 · (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione · ligand · chains H
- CA · Calcium ion · metal · chains H
- SO4 · Sulfate ion · ion · 3 copies · chains H, L
- GOL · Glycerol · additive · chains H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 138 | 0.44 | 0.76 | 39 | 4T1, SO4 |
| 2 | 63 | 0.39 | 0.79 | 14 | empty |
| 3 | 102 | 0.39 | 0.76 | 21 | SO4 |
| 4 | 57 | 0.29 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- H–L · 1028 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4ZXY · FACTOR VIIA IN COMPLEX WITH THE INHIBITOR (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-dia… · the same entry in another collection · chain H against H, TM-score 1.00
- P08709 · AlphaFold monomer V2.0 prediction for coagulation factor VII (P08709) · a predicted model of the same protein · chain H 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 P08709
- Elsewhere: RCSB PDB 4ZXY · PDBe 4ZXY · UniProt P08709
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