Research workbench
Crystal structure of the leptospira interrogans ATPase subunit of an orphan ABC transporter
Analyse Crystal structure of the leptospira interrogans ATPase subunit of an orphan ABC… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HZI
- Type
- protein
- Length
- 498 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC transporter ATP-binding protein
- UniProt
- Q72QN4
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABC transporter ATP-binding protein | protein | 253 | 34% helix, 29% strand | Q72QN4 |
| B | ABC transporter ATP-binding protein | protein | 245 | 36% helix, 30% strand | Q72QN4 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 182 | 0.76 | 0.92 | 40 | empty |
| 2 | 173 | 0.49 | 0.76 | 31 | empty |
| 3 | 149 | 0.47 | 0.77 | 23 | empty |
| 4 | 89 | 0.43 | 0.79 | 21 | empty |
| 5 | 62 | 0.32 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1348 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4HZI · Crystal structure of the Leptospira interrogans ATPase subunit of an orphan ABC… · 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 Q72QN4
- Elsewhere: RCSB PDB 4HZI · PDBe 4HZI · UniProt Q72QN4
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