MolNFT v1 · #48948 · protein
Crystal structure of S. aureus isde complexed with heme
2Q8Q · Iron-regulated surface determinant E: “Crystal structure of S. aureus isde complexed with heme”. X-ray diffraction, 1 ligand (HEM), 1 pocket (best druggability 0.69). MolNFT v1 #48948 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2Q8Q
- Type
- protein
- Length
- 258 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iron-regulated surface determinant E
- UniProt
- Q7A652
- Ligands
- HEM
- Pockets
- 1 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Iron-regulated surface determinant E | protein | 258 | 43% helix, 16% strand | Q7A652 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 317 | 0.69 | 0.83 | 35 | HEM |
Compared structures
- 2Q8Q · Crystal Structure of S. aureus IsdE complexed with heme · the same entry in another collection · chain A against A, TM-score 1.00
- Q7A652 · AlphaFold monomer V2.0 prediction for high-affinity heme uptake system protein isde… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q7A652
- Elsewhere: RCSB PDB 2Q8Q · PDBe 2Q8Q · UniProt Q7A652
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