MolNFT v1 · #169244 · protein
Discovery of hydroxy pyrimidine factor ixa inhibitors
6X5L · Coagulation factor IX: “Discovery of hydroxy pyrimidine factor ixa inhibitors”. X-ray diffraction, 2 ligands (UQG, NA), 2 pockets (best druggability 0.50). MolNFT v1 #169244 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6X5L
- Type
- protein
- Length
- 282 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coagulation factor IX
- EC
- 3.4.21.22
- UniProt
- P00740
- Ligands
- UQG, NA
- Pockets
- 2 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 12% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coagulation factor IX (EC 3.4.21.22) | protein | 233 | 12% helix, 36% strand | P00740 |
| B | Coagulation factor IX (EC 3.4.21.22) | protein | 49 | 8% helix, 24% strand | P00740 |
Ligands and binding sites
- UQG · 4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide · ligand · chains A
- NA · Sodium ion · metal · chains A
- CIT · Citric acid · additive · 4 copies · chains A
- GOL · Glycerol · 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 | 150 | 0.50 | 0.78 | 24 | empty |
| 2 | 130 | 0.47 | 0.78 | 31 | UQG, CIT |
Interfaces
1 interface between chains.
- A–B · 819 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 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 P00740
- Elsewhere: RCSB PDB 6X5L · PDBe 6X5L · UniProt P00740
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.