MolNFT v1 · #143240 · protein
Exploring cystine dense peptide space to open a unique molecular toolbox
6ATU · Elafin: “Exploring cystine dense peptide space to open a unique molecular toolbox”. X-ray diffraction, 13 pockets (best druggability 0.78). MolNFT v1 #143240 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6ATU
- Type
- protein
- Length
- 879 residues
- Chains
- 18
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Elafin
- UniProt
- P19957
- Pockets
- 13 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, G, H, R | Elafin | protein | 49 | 6% helix, 20% strand | P19957 |
| C, D | Elafin | protein | 47 | 6% helix, 30% strand | P19957 |
| E, F, I, M, N, O | Elafin | protein | 50 | 6% helix, 24% strand | P19957 |
| J, K, L, P, Q | Elafin | protein | 48 | 6% helix, 21% strand | P19957 |
Pockets
13 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 831 | 0.78 | 0.81 | 78 | empty |
| 2 | 544 | 0.73 | 0.81 | 78 | empty |
| 3 | 281 | 0.50 | 0.74 | 34 | empty |
| 4 | 107 | 0.43 | 0.78 | 21 | empty |
| 5 | 172 | 0.42 | 0.73 | 26 | empty |
Interfaces
32 interfaces between chains.
- D–R · 571 Ų buried · 4 hydrogen bonds · protein-protein
- M–N · 366 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 329 Ų buried · 4 hydrogen bonds · protein-protein
- G–N · 318 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 316 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 72 disulfide (disulfide).
Compared structures
- 6ATU · Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox · the same entry in another collection · chain K against K, 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 P19957
- Elsewhere: RCSB PDB 6ATU · PDBe 6ATU · UniProt P19957
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