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Crystal structure of iron uptake ABC transporter substrate-binding protein piaa from streptococcus pneumoniae canada MDR_19A bound to bis-tris propane
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
- 4H59
- Type
- protein
- Length
- 306 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iron-compound ABC transporter, iron compound-binding protein
- UniProt
- Q97R09
- Ligands
- CL
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Iron-compound ABC transporter, iron compound-binding protein | protein | 306 | 40% helix, 17% strand | Q97R09 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A
- B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- GOL · Glycerol · additive · chains A
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 | 258 | 0.57 | 0.78 | 39 | B3P, CL |
| 2 | 64 | 0.30 | 0.74 | 15 | empty |
Modifications
Observed in the structure: 3 modified (engineered).
Compared structures
- 4H59 · 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 4H59 · PDBe 4H59 · UniProt Q97R09
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