MolNFT v1 · #35664 · protein
Factor xa in complex with the inhibitor trans-N1-[(5-chloroindol-2- YL)CARBONYL]-N2-[(5-methyl-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDIN- 2-YL)CARBONYL]-1,2-cyclohexanediamine
2EI7 · Coagulation factor X, heavy chain: “Factor xa in complex with the inhibitor trans-N1-[(5-chloroindol-2…”. X-ray diffraction, 2 ligands (D93, CA), 2 pockets (best druggability 0.46). MolNFT v1 #35664 on GenesisL1: 3D structure…
- PDB
- 2EI7
- Type
- protein
- Length
- 287 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coagulation factor X, heavy chain; Coagulation factor X, light chain
- EC
- 3.4.21.6
- UniProt
- P00742
- Ligands
- D93, CA
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coagulation factor X, heavy chain (EC 3.4.21.6) | protein | 233 | 14% helix, 39% strand | P00742 |
| B | Coagulation factor X, light chain (EC 3.4.21.6) | protein | 54 | 13% helix, 30% strand | P00742 |
Ligands and binding sites
- D93 · N-((1R,2R)-2-(5-chloro-1H-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide · ligand · chains A
- CA · Calcium ion · metal · 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 | 97 | 0.46 | 0.80 | 22 | D93 |
| 2 | 141 | 0.41 | 0.74 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 814 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 2EI7 · FACTOR XA IN COMPLEX WITH THE INHIBITOR trans-N1-[(5-Chloroindol-2-yl)carbonyl]-N2-[(5-met… · 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 2EI7 · PDBe 2EI7 · UniProt P00742
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