Research workbench
The dehydratase heterocomplex APEI:P from xenorhabdus doucetiae
Analyse The dehydratase heterocomplex APEI:P from xenorhabdus doucetiae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6QSR
- Type
- protein
- Length
- 264 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AMP-dependent synthetase and ligase; Beta-hydroxyacyl-(acyl-carrier-protein) dehydratase…
- EC
- 4.2.1.-
- UniProt
- A0A068QWX2, A0A068QW34
- Ligands
- NA
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AMP-dependent synthetase and ligase | protein | 112 | 17% helix, 45% strand | A0A068QWX2 |
| B | Beta-hydroxyacyl-(acyl-carrier-protein) dehydratase FABA/FABZ (EC 4.2.1.-) | protein | 152 | 25% helix, 39% strand | A0A068QW34 |
Ligands and binding sites
- NA · Sodium ion · metal · chains 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 236 | 0.75 | 0.89 | 46 | empty |
| 2 | 88 | 0.35 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1389 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 6QSR · The Dehydratase Heterocomplex ApeI:P from Xenorhabdus doucetiae · 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 A0A068QWX2
- Every structure of UniProt A0A068QW34
- Elsewhere: RCSB PDB 6QSR · PDBe 6QSR · UniProt A0A068QWX2 · UniProt A0A068QW34
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