MolNFT v1 · #159706 · protein
The structure of condensation and adenylation domains of teixobactin- producing nonribosomal peptide synthetase TXO1 serine module
6OYF: “The structure of condensation and adenylation domains of teixobactin- producing nonribosomal peptide…”. X-ray diffraction, 1 ligand (SO4), 10 pockets (best druggability 0.73). MolNFT v1 #159706 on GenesisL1: 3D structure, binding…
- PDB
- 6OYF
- Type
- protein
- Length
- 854 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TXO1
- EC
- 2.-.-.-
- UniProt
- A0A0B5GUD2
- Ligands
- SO4
- Pockets
- 10 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TXO1 (EC 2.-.-.-) | protein | 854 | 37% helix, 22% strand | A0A0B5GUD2 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 13 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- FMT · Formic acid · additive · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 614 | 0.73 | 0.80 | 71 | empty |
| 2 | 259 | 0.72 | 0.87 | 48 | GOL |
| 3 | 504 | 0.63 | 0.76 | 64 | SO4 |
| 4 | 348 | 0.60 | 0.77 | 56 | empty |
| 5 | 51 | 0.42 | 0.83 | 16 | empty |
Compared structures
- 6OYF · The structure of condensation and adenylation domains of teixobactin-producing… · 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 A0A0B5GUD2
- Elsewhere: RCSB PDB 6OYF · PDBe 6OYF · UniProt A0A0B5GUD2
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