MolNFT v1 · #76756 · protein
Structure of heme transport protein isdh-NEAT3 from S. aureus in complex with gallium-porphyrin
3QUG · Iron-regulated surface determinant protein H: “Structure of heme transport protein isdh-NEAT3 from S. aureus in complex with gallium-porphyrin”. X-ray diffraction, 2 ligands (GIX, SO4), 3 pockets (best druggability 0.69). MolNFT v1…
- PDB
- 3QUG
- Type
- protein
- Length
- 226 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iron-regulated surface determinant protein H
- UniProt
- Q931P4
- Ligands
- GIX, SO4
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 61% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Iron-regulated surface determinant protein H | protein | 113 | 12% helix, 61% strand | Q931P4 |
Ligands and binding sites
- GIX · Protoporphyrin IX containing ga · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 378 | 0.69 | 0.81 | 45 | GIX |
| 2 | 57 | 0.37 | 0.79 | 11 | GOL |
| 3 | 56 | 0.34 | 0.78 | 11 | GOL |
Interfaces
1 interface between chains.
- A–B · 310 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3QUG · Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q931P4 · AlphaFold monomer V2.0 prediction for iron-regulated surface determinant protein H… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q931P4
- Elsewhere: RCSB PDB 3QUG · PDBe 3QUG · UniProt Q931P4
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