MolNFT v1 · #58859 · protein
Crystal structure of factor xia in complex with clavatadine a
3BG8 · Coagulation factor xia light chain: “Crystal structure of factor xia in complex with clavatadine a”. X-ray diffraction, 3 ligands (G0R, BEN, SO4), 2 pockets (best druggability 0.50). MolNFT v1 #58859 on GenesisL1: 3D structure…
- PDB
- 3BG8
- Type
- protein
- Length
- 238 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
- G0R, BEN, SO4
- Pockets
- 2 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coagulation factor xia light chain (EC 3.4.21.27) | protein | 238 | 15% helix, 34% strand | P03951 |
Ligands and binding sites
- G0R · N-(4-carbamimidamidobutyl)ethanamide · ligand · chains A
- BEN · Benzamidine · ligand · chains A
- SO4 · Sulfate ion · ion · 5 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 192 | 0.50 | 0.77 | 32 | G0R, BEN, SO4 |
| 2 | 92 | 0.40 | 0.77 | 19 | 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 3BG8 · PDBe 3BG8 · UniProt P03951
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