MolNFT v1 · #167474 · protein
Factor xia in complex with compound 11
6VLV · Coagulation factor xia light chain: “Factor xia in complex with compound 11”. X-ray diffraction, 1 ligand (R3A), 2 pockets (best druggability 0.48). MolNFT v1 #167474 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6VLV
- 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
- R3A
- Pockets
- 2 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coagulation factor xia light chain (EC 3.4.21.27) | protein | 236 | 14% helix, 35% strand | P03951 |
Ligands and binding sites
- R3A · 1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide · ligand · chains A
- FLC · Citrate anion · additive · 2 copies · 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 | 155 | 0.48 | 0.77 | 34 | FLC, R3A |
| 2 | 85 | 0.42 | 0.79 | 19 | 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 6VLV · PDBe 6VLV · UniProt P03951
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