MolNFT v1 · #167473 · protein
Factor xia in complex with compound 7
6VLU · Coagulation factor xia light chain: “Factor xia in complex with compound 7”. X-ray diffraction, 1 ligand (R2Y), 2 pockets (best druggability 0.46). MolNFT v1 #167473 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6VLU
- Type
- protein
- Length
- 236 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coagulation factor xia light chain
- EC
- 3.4.21.27
- UniProt
- P03951
- Ligands
- R2Y
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coagulation factor xia light chain (EC 3.4.21.27) | protein | 236 | 14% helix, 34% strand | P03951 |
Ligands and binding sites
- R2Y · N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl) methyl]-4,4-difluoro-L-prolinamide · ligand · chains A
- CIT · Citric acid · additive · 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 | 148 | 0.46 | 0.77 | 33 | R2Y |
| 2 | 93 | 0.41 | 0.77 | 17 | empty |
Modifications
Observed in the structure: 4 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 P03951
- Elsewhere: RCSB PDB 6VLU · PDBe 6VLU · UniProt P03951
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