Research workbench
Crystal structure of (3R)-hydroxyacyl-acp dehydratase hadab hetero- dimer from mycobacterium smegmatis
Analyse Crystal structure of (3R)-hydroxyacyl-acp dehydratase hadab hetero- dimer from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4RV2
- Type
- protein
- Length
- 276 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- UPF0336 protein MSMEG_1340/MSMEI_1302; Maoc family protein
- UniProt
- A0QS40, A0QS41
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | UPF0336 protein MSMEG_1340/MSMEI_1302 | protein | 135 | 25% helix, 36% strand | A0QS40 |
| B | Maoc family protein | protein | 141 | 29% helix, 36% strand | A0QS41 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 358 | 0.76 | 0.86 | 54 | SO4 |
Interfaces
1 interface between chains.
- A–B · 1397 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4RV2 · Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from… · 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 A0QS40
- Every structure of UniProt A0QS41
- Elsewhere: RCSB PDB 4RV2 · PDBe 4RV2 · UniProt A0QS40 · UniProt A0QS41
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