MolNFT v1 · #130365 · protein
Crystal structure of factor viia in complex with 2-phenyl-4-(1H- PYRROLO[3,2-C]PYRIDIN-2-YL)PYRAZOL-3-ol
5PB2 · Coagulation factor VII light chain: “Crystal structure of factor viia in complex with 2-phenyl-4-(1H- PYRROLO[3,2-C]PYRIDIN-2-YL)PYRAZOL-3-ol”. X-ray diffraction, 4 ligands (9RP, CA, CL), 2 pockets (best druggability 0.61). MolNFT…
- PDB
- 5PB2
- Type
- protein
- Length
- 308 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coagulation factor VII light chain; Coagulation factor VII heavy chain
- EC
- 3.4.21.21
- UniProt
- P08709
- Ligands
- 9RP, CA, CL, SO4
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 15% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coagulation factor VII light chain (EC 3.4.21.21) | protein | 58 | 17% helix, 28% strand | P08709 |
| C | Coagulation factor VII heavy chain (EC 3.4.21.21) | protein | 250 | 14% helix, 37% strand | P08709 |
Ligands and binding sites
- 9RP · 1-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ol · ligand · chains C
- CA · Calcium ion · metal · chains C
- CL · Chloride ion · ion · 2 copies · chains C
- SO4 · Sulfate ion · ion · chains C
- GOL · Glycerol · additive · 2 copies · chains A, C
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 | 257 | 0.61 | 0.80 | 43 | 9RP |
| 2 | 125 | 0.40 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–C · 1037 Ų buried · 14 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 5PB2 · PDBe 5PB2 · UniProt P08709
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