MolNFT v1 · #165352 · protein
Coagulation factor XI protease domain in complex with active site inhibitor
6TS7: “Coagulation factor XI protease domain in complex with active site inhibitor”. X-ray diffraction, 1 ligand (NWE), 2 pockets (best druggability 0.47). MolNFT v1 #165352 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6TS7
- Type
- protein
- Length
- 236 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
- NWE
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coagulation factor XI (EC 3.4.21.27) | protein | 236 | 13% helix, 34% strand | P03951 |
Ligands and binding sites
- NWE · 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl) phenyl]methoxy]phenyl]ethanoic acid · 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 | 147 | 0.47 | 0.77 | 33 | NWE |
| 2 | 104 | 0.41 | 0.76 | 17 | empty |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6TS7 · Coagulation factor XI protease domain in complex with active site inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P03951 · AlphaFold monomer V2.0 prediction for coagulation factor XI (P03951) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 6TS7 · PDBe 6TS7 · UniProt P03951
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