MolNFT v1 · #94533 · protein
Crystal structure of the leptospira interrogans ATPase subunit of an orphan ABC transporter
4HZI · ABC transporter ATP-binding protein: “Crystal structure of the leptospira interrogans ATPase subunit of an orphan ABC transporter”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.76). MolNFT v1 #94533 on…
- 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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