MolNFT v1 · #29788 · protein
Crystal structure of the catalytic domain of coagulation factor XI in complex with kunitz protease inhibitor domain of protease nexin II
1ZJD: “Crystal structure of the catalytic domain of coagulation factor XI in complex with kunitz protease inhibitor…”. X-ray diffraction, 2 pockets (best druggability 0.44). MolNFT v1 #29788 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1ZJD
- Type
- protein
- Length
- 294 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catalytic domain of coagulation factor XI; Kunitz protease inhibitory domain of protease…
- EC
- 3.4.21.27
- UniProt
- P03951, P05067
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 12% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Catalytic domain of coagulation factor XI (EC 3.4.21.27) | protein | 237 | 12% helix, 34% strand | P03951 |
| B | Kunitz protease inhibitory domain of protease nexin II | protein | 57 | 14% helix, 28% strand | P05067 |
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 | 89 | 0.44 | 0.80 | 18 | empty |
| 2 | 94 | 0.36 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 829 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 1ZJD · Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Kunitz… · the same entry in another collection · chain A against A, TM-score 1.00
- P03951 · AlphaFold monomer V2.0 prediction for coagulation factor XI (P03951) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P05067 · AlphaFold monomer V2.0 prediction for amyloid-beta precursor protein (P05067) · a predicted model of the same protein · chain B against A, TM-score 0.93
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 P03951
- Every structure of UniProt P05067
- Elsewhere: RCSB PDB 1ZJD · PDBe 1ZJD · UniProt P03951 · UniProt P05067
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