MolNFT v1 · #165890 · protein
Crystal structure of chux
6U9J · Heme utilization carrier protein: “Crystal structure of chux”. X-ray diffraction, 2 ligands (NA, PO4), 9 pockets (best druggability 0.84). MolNFT v1 #165890 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6U9J
- Type
- protein
- Length
- 637 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heme utilization carrier protein
- UniProt
- Q8X5N5
- Ligands
- NA, PO4
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heme utilization carrier protein | protein | 160 | 29% helix, 37% strand | Q8X5N5 |
| B, C, D | Heme utilization carrier protein | protein | 159 | 30% helix, 38% strand | Q8X5N5 |
Ligands and binding sites
- NA · Sodium ion · metal · chains B, D
- PO4 · Phosphate ion · ion · chains A
- IMD · Imidazole · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 926 | 0.84 | 0.85 | 90 | empty |
| 2 | 275 | 0.57 | 0.77 | 31 | empty |
| 3 | 266 | 0.57 | 0.77 | 34 | NA |
| 4 | 176 | 0.44 | 0.74 | 31 | empty |
| 5 | 53 | 0.40 | 0.82 | 19 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1062 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 1040 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 406 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 396 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 227 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6U9J · Crystal structure of ChuX · 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 Q8X5N5
- Elsewhere: RCSB PDB 6U9J · PDBe 6U9J · UniProt Q8X5N5
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