MolNFT v1 · #145579 · protein
Crystal structure of human beta-defensin 2 in complex with PIP2
6CS9 · Beta-defensin 4A: “Crystal structure of human beta-defensin 2 in complex with PIP2”. X-ray diffraction, 1 ligand (PIO), 2 pockets (best druggability 0.36). MolNFT v1 #145579 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6CS9
- Type
- protein
- Length
- 82 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-defensin 4A
- UniProt
- O15263
- Ligands
- PIO
- Pockets
- 2 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-defensin 4A | protein | 41 | 12% helix, 37% strand | O15263 |
Ligands and binding sites
- PIO · [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2, 3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate · ligand · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.36 | 0.78 | 14 | empty |
| 2 | 54 | 0.30 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 393 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 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 O15263
- Elsewhere: RCSB PDB 6CS9 · PDBe 6CS9 · UniProt O15263
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