MolNFT v1 · #95514 · protein
Structure of factor viia in complex with the inhibitor (6S)-N-(4- carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo- 4,6,7,8-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-carboxamide
4ISI · Factor VII heavy chain: “Structure of factor viia in complex with the inhibitor (6S)-N-(4…”. X-ray diffraction, 2 ligands (1GG, CA), 4 pockets (best druggability 0.52). MolNFT v1 #95514 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4ISI
- Type
- protein
- Length
- 309 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Factor VII heavy chain; Factor VII light chain
- EC
- 3.4.21.21
- UniProt
- P08709
- Ligands
- 1GG, CA
- Pockets
- 4 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Factor VII heavy chain (EC 3.4.21.21) | protein | 254 | 14% helix, 37% strand | P08709 |
| L | Factor VII light chain (EC 3.4.21.21) | protein | 55 | 15% helix, 25% strand | P08709 |
Ligands and binding sites
- 1GG · (6S)-N-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide · 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
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 86 | 0.52 | 0.84 | 18 | empty |
| 2 | 138 | 0.43 | 0.76 | 30 | 1GG |
| 3 | 94 | 0.36 | 0.75 | 15 | empty |
| 4 | 62 | 0.27 | 0.73 | 12 | empty |
Interfaces
1 interface between chains.
- H–L · 1035 Ų buried · 13 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 4ISI · PDBe 4ISI · UniProt P08709
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