Research workbench
Crystal structure of nosa involved in nosiheptide biosynthesis
Analyse Crystal structure of nosa involved in nosiheptide biosynthesis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZA1
- Type
- protein
- Length
- 281 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nosa
- UniProt
- C6FX40
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 23% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nosa | protein | 99 | 21% helix, 31% strand | C6FX40 |
| B | Nosa | protein | 90 | 23% helix, 39% strand | C6FX40 |
| C | Nosa | protein | 92 | 25% helix, 37% strand | C6FX40 |
Ligands and binding sites
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains A
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 | 176 | 0.76 | 0.91 | 27 | empty |
| 2 | 356 | 0.63 | 0.78 | 52 | empty |
| 3 | 126 | 0.45 | 0.77 | 22 | DTT |
| 4 | 62 | 0.27 | 0.73 | 13 | empty |
Interfaces
3 interfaces between chains.
- B–C · 936 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 249 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 141 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4ZA1 · Crystal Structure of NosA Involved in Nosiheptide Biosynthesis · 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 C6FX40
- Elsewhere: RCSB PDB 4ZA1 · PDBe 4ZA1 · UniProt C6FX40
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