MolNFT v1 · #180204 · protein
Crystal structure of pun G 1.0101
7KSC · Non-specific lipid-transfer protein: “Crystal structure of pun G 1.0101”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.87). MolNFT v1 #180204 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7KSC
- Type
- protein
- Length
- 372 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-specific lipid-transfer protein
- UniProt
- A0A059STC4
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Non-specific lipid-transfer protein | protein | 93 | 60% helix, 0% strand | A0A059STC4 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 9 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1068 | 0.87 | 0.88 | 88 | empty |
| 2 | 1200 | 0.86 | 0.87 | 109 | empty |
| 3 | 52 | 0.39 | 0.81 | 12 | empty |
| 4 | 63 | 0.35 | 0.77 | 13 | empty |
Interfaces
5 interfaces between chains.
- B–D · 662 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 659 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 259 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 233 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 48 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 7KSC · Crystal structure of Pun g 1.0101 · 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 A0A059STC4
- Elsewhere: RCSB PDB 7KSC · PDBe 7KSC · UniProt A0A059STC4
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