Research workbench
Open conformation of htsa complexed with staphyloferrin a
Analyse Open conformation of htsa complexed with staphyloferrin a in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3LHS
- Type
- protein
- Length
- 291 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferrichrome ABC transporter lipoprotein
- UniProt
- A6QJ18
- Ligands
- SF8, FE
- Pockets
- 2 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferrichrome ABC transporter lipoprotein | protein | 291 | 45% helix, 20% strand | A6QJ18 |
Ligands and binding sites
- SF8 · (2R)-2-(2-{[(1R)-1-carboxy-4-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxybutanedioic acid · ligand · chains A
- FE · Fe (III) ion · metal · chains A
- GOL · Glycerol · additive · 3 copies · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 130 | 0.49 | 0.79 | 22 | FE, SF8 |
| 2 | 66 | 0.29 | 0.74 | 16 | empty |
Compared structures
- 3LHS · Open Conformation of HtsA Complexed with Staphyloferrin A · 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 A6QJ18
- Elsewhere: RCSB PDB 3LHS · PDBe 3LHS · UniProt A6QJ18
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