MolNFT v1 · #30078 · protein
Factor XI complexed with a pyrimidinone inhibitor
1ZSL · Coagulation factor XI: “Factor XI complexed with a pyrimidinone inhibitor”. X-ray diffraction, 1 ligand (624), 2 pockets (best druggability 0.49). MolNFT v1 #30078 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1ZSL
- Type
- protein
- Length
- 237 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coagulation factor XI
- EC
- 3.4.21.27
- UniProt
- P03951
- Ligands
- 624
- Pockets
- 2 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coagulation factor XI (EC 3.4.21.27) | protein | 237 | 15% helix, 34% strand | P03951 |
Ligands and binding sites
- 624 · 2-(2-(3,4-dichlorophenyl)-5-(isopropylamino)-6-oxopyrimidin-1(6H)-yl)-N-((S)-1-oxo-1-(thiazol-2-yl)-5-guanidinopentan-2-yl)acetamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 175 | 0.49 | 0.77 | 29 | 624 |
| 2 | 112 | 0.39 | 0.75 | 21 | empty |
Modifications
Observed in the structure: 4 disulfide, 1 covalent (disulfide, covalent ligand).
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 P03951
- Elsewhere: RCSB PDB 1ZSL · PDBe 1ZSL · UniProt P03951
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