MolNFT v1 · #37394 · protein
Factor xa in complex with the inhibitor 1-(3-amino-1,2- benzisoxazol-5-yl)-6-(2'-(((3R)-3-hydroxy-1-pyrrolidinyl) methyl)-4-biphenylyl)-3-(trifluoromethyl)-1,4,5,6- tetrahydro-7H-PYRAZOLO[3,4-C]PYRIDIN-7-one
2FZZ · Coagulation factor X: “Factor xa in complex with the inhibitor 1-(3-amino-1,2- benzisoxazol-5-yl)-6-(2'-(((3R)-3-hydroxy-1-pyrrolidin…”. X-ray diffraction, 1 ligand (5QC), 3 pockets (best druggability 0.45). MolNFT v1 #37394 on…
- PDB
- 2FZZ
- Type
- protein
- Length
- 286 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coagulation factor X
- EC
- 3.4.21.6
- UniProt
- P00742
- Ligands
- 5QC
- Pockets
- 3 · best druggability 0.45
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coagulation factor X (EC 3.4.21.6) | protein | 234 | 13% helix, 35% strand | P00742 |
| L | Coagulation factor X (EC 3.4.21.6) | protein | 52 | 13% helix, 31% strand | P00742 |
Ligands and binding sites
- 5QC · 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 102 | 0.45 | 0.79 | 27 | 5QC |
| 2 | 54 | 0.29 | 0.75 | 13 | empty |
| 3 | 53 | 0.27 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–L · 902 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2FZZ · Factor Xa in complex with the inhibitor 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-(((3r)-3-h… · the same entry in another collection · chain A against A, TM-score 1.00
- P00742 · AlphaFold monomer V2.0 prediction for coagulation factor X (P00742) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P00742
- Elsewhere: RCSB PDB 2FZZ · PDBe 2FZZ · UniProt P00742
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