Research workbench
Crystal structure of iron uptake ABC transporter substrate-binding protein piaa from streptococcus pneumoniae TIGR4
Analyse Crystal structure of iron uptake ABC transporter substrate-binding protein piaa… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HMP
- Type
- protein
- Length
- 578 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iron-compound ABC transporter, iron compound-binding protein
- UniProt
- Q97R09
- Ligands
- CD
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Iron-compound ABC transporter, iron compound-binding protein | protein | 289 | 43% helix, 19% strand | Q97R09 |
| B | Iron-compound ABC transporter, iron compound-binding protein | protein | 289 | 42% helix, 19% strand | Q97R09 |
Ligands and binding sites
- CD · Cadmium ion · metal · 31 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 367 | 0.64 | 0.79 | 55 | CD |
| 2 | 238 | 0.56 | 0.78 | 33 | empty |
| 3 | 305 | 0.56 | 0.76 | 33 | CD |
| 4 | 60 | 0.29 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 269 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 4HMP · Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA 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 Q97R09
- Elsewhere: RCSB PDB 4HMP · PDBe 4HMP · UniProt Q97R09
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