MolNFT v1 · #103635 · protein
Crystal structure of kiwellin
4PMK: “Crystal structure of kiwellin”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.69). MolNFT v1 #103635 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4PMK
- Type
- protein
- Length
- 298 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kiwellin
- UniProt
- L7TT83
- Ligands
- CL
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kiwellin | protein | 158 | 10% helix, 31% strand | L7TT83 |
| B | Kiwellin | protein | 140 | 11% helix, 35% strand | L7TT83 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 807 | 0.69 | 0.76 | 70 | empty |
| 2 | 50 | 0.26 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 404 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4PMK · Crystal structure of kiwellin · the same entry in another collection · chain A against A, TM-score 1.00
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 L7TT83
- Elsewhere: RCSB PDB 4PMK · PDBe 4PMK · UniProt L7TT83
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