MolNFT v1 · #100864 · protein
Factor viia in complex with the inhibitor 3'-amino-5'-[(2S,4R)-6- carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-YL]BIPHENYL-2- carboxylic acid
4NA9 · Coagulation factor VII heavy chain: “Factor viia in complex with the inhibitor 3'-amino-5'-[(2S,4R)-6…”. X-ray diffraction, 2 ligands (1T7, CA), 3 pockets (best druggability 0.45). MolNFT v1 #100864 on GenesisL1: 3D structure…
- PDB
- 4NA9
- Type
- protein
- Length
- 309 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coagulation factor VII heavy chain; Coagulation factor VII light chain
- EC
- 3.4.21.21
- UniProt
- P08709
- Ligands
- 1T7, CA
- Pockets
- 3 · best druggability 0.45
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Coagulation factor VII heavy chain (EC 3.4.21.21) | protein | 254 | 14% helix, 37% strand | P08709 |
| L | Coagulation factor VII light chain (EC 3.4.21.21) | protein | 55 | 15% helix, 25% strand | P08709 |
Ligands and binding sites
- 1T7 · 3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid · ligand · chains H
- CA · Calcium ion · metal · 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 | 156 | 0.45 | 0.76 | 32 | 1T7 |
| 2 | 101 | 0.37 | 0.75 | 15 | empty |
| 3 | 57 | 0.27 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- H–L · 1037 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4NA9 · Factor VIIa in complex with the inhibitor 3'-amino-5'-[(2s,4r)-6-carbamimidoyl-4-phenyl-1… · 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 4NA9 · PDBe 4NA9 · UniProt P08709
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.