MolNFT v1 · #179039 · protein
Crystal structure of the second heterocyclization domain of yersiniabactin synthetase
7JTJ · IRP2 protein: “Crystal structure of the second heterocyclization domain of yersiniabactin synthetase”. X-ray diffraction, 1 ligand (NA), 6 pockets (best druggability 0.80). MolNFT v1 #179039 on GenesisL1: 3D structure, binding sites…
- PDB
- 7JTJ
- Type
- protein
- Length
- 423 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- IRP2 protein
- UniProt
- Q9Z399
- Ligands
- NA
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | IRP2 protein | protein | 423 | 38% helix, 21% strand | Q9Z399 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 621 | 0.80 | 0.85 | 69 | PG0 |
| 2 | 236 | 0.58 | 0.79 | 23 | empty |
| 3 | 171 | 0.50 | 0.78 | 31 | empty |
| 4 | 64 | 0.50 | 0.85 | 19 | empty |
| 5 | 87 | 0.43 | 0.79 | 20 | empty |
Compared structures
- 7JTJ · Crystal structure of the second heterocyclization domain of yersiniabactin synthetase · 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 Q9Z399
- Elsewhere: RCSB PDB 7JTJ · PDBe 7JTJ · UniProt Q9Z399
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