MolNFT v1 · #95513 · protein
Structure of factor viia in complex with the inhibitor bms-593214 also known as 2'-[(6R,6AR,11BR)-2-carbamimidoyl-6,6A,7,11B-tetrahydro-5H- INDENO[2,1-C]QUINOLIN-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4- carboxylic acid
4ISH · Factor VII heavy chain: “Structure of factor viia in complex with the inhibitor bms-593214 also known as…”. X-ray diffraction, 2 ligands (1GE, CA), 2 pockets (best druggability 0.55). MolNFT v1 #95513 on GenesisL1: 3D structure…
- PDB
- 4ISH
- 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
- 1GE, CA
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 15% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Factor VII heavy chain (EC 3.4.21.21) | protein | 254 | 15% helix, 37% strand | P08709 |
| L | Factor VII light chain (EC 3.4.21.21) | protein | 55 | 15% helix, 29% strand | P08709 |
Ligands and binding sites
- 1GE · 2'-[(6R,6aR,11bR)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-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
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 212 | 0.55 | 0.78 | 45 | 1GE |
| 2 | 101 | 0.37 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- H–L · 1043 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4ISH · Structure of FACTOR VIIA in complex with the inhibitor BMS-593214 also known as… · 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 4ISH · PDBe 4ISH · UniProt P08709
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