MolNFT v1 · #12494 · protein
Bovine factor xa
1KIG: “Bovine factor xa”. X-ray diffraction, 2 pockets (best druggability 0.64). MolNFT v1 #12494 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1KIG
- Type
- protein
- Length
- 352 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Factor xa; Anticoagulant peptide
- EC
- 3.4.21.6
- UniProt
- P00743, P17726
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 3 distinct chains · 9% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Factor xa (EC 3.4.21.6) | protein | 241 | 10% helix, 37% strand | P00743 |
| L | Factor xa (EC 3.4.21.6) | protein | 51 | 0% helix, 20% strand | P00743 |
| I | Anticoagulant peptide | protein | 60 | 12% helix, 17% strand | P17726 |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 334 | 0.64 | 0.79 | 39 | empty |
| 2 | 171 | 0.50 | 0.77 | 25 | empty |
Interfaces
2 interfaces between chains.
- H–I · 925 Ų buried · 26 hydrogen bonds · protein-protein
- H–L · 831 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 disulfide (disulfide).
Compared structures
- 1KIG · Bovine factor xa · the same entry in another collection · chain L against L, TM-score 1.00
- P00743 · AlphaFold monomer V2.0 prediction for coagulation factor X (P00743) · a predicted model of the same protein · chain H against A, TM-score 0.95
- P17726 · AlphaFold monomer V2.0 prediction for tick anticoagulant peptide (P17726) · a predicted model of the same protein · chain I against A, TM-score 0.62
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 P00743
- Every structure of UniProt P17726
- Elsewhere: RCSB PDB 1KIG · PDBe 1KIG · UniProt P00743 · UniProt P17726
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