MolNFT v1 · #10400 · protein
Human coagulation factor xa in complex with M55165
1IQF: “Human coagulation factor xa in complex with M55165”. X-ray diffraction, 2 ligands (XMD, CA), 1 pocket (best druggability 0.47). MolNFT v1 #10400 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1IQF
- Type
- protein
- Length
- 286 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coagulation factor xa
- EC
- 3.4.21.6
- UniProt
- P00742
- Ligands
- XMD, CA
- Pockets
- 1 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coagulation factor xa (EC 3.4.21.6) | protein | 235 | 12% helix, 34% strand | P00742 |
| L | Coagulation factor xa (EC 3.4.21.6) | protein | 51 | 6% helix, 20% strand | P00742 |
Ligands and binding sites
- XMD · (2R)-4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester · ligand · chains A
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 147 | 0.47 | 0.77 | 28 | XMD |
Interfaces
1 interface between chains.
- A–L · 899 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 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 P00742
- Elsewhere: RCSB PDB 1IQF · PDBe 1IQF · UniProt P00742
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