MolNFT v1 · #30105 · protein
Crystal structure of the catalytic domain of coagulation factor XI in complex with 2-(5-amino-6-oxo-2-M-tolyl-6H-pyrimidin-1-yl)-N-[4- guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
1ZTK: “Crystal structure of the catalytic domain of coagulation factor XI in complex with…”. X-ray diffraction, 2 ligands (62A, SO4), 2 pockets (best druggability 0.46). MolNFT v1 #30105 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1ZTK
- 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
- 62A, SO4
- Pockets
- 2 · best druggability 0.46
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
- 62A · 2-(5-amino-6-oxo-2-M-tolyl-6H-pyrimidin-1-yl)-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide · ligand · chains A
- SO4 · Sulfate ion · ion · 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 | 121 | 0.46 | 0.78 | 22 | empty |
| 2 | 147 | 0.44 | 0.76 | 27 | 62A |
Modifications
Observed in the structure: 4 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 1ZTK · Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with… · 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 1ZTK · PDBe 1ZTK · UniProt P03951
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