MolNFT v1 · #118303 · protein
Crystal structure of heme binding protein hutx from vibrio cholerae
5EXV · Hemin-degrading HEMS.CHUX domain protein: “Crystal structure of heme binding protein hutx from vibrio cholerae”. X-ray diffraction, 11 pockets (best druggability 0.66). MolNFT v1 #118303 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5EXV
- Type
- protein
- Length
- 994 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemin-degrading HEMS.CHUX domain protein
- UniProt
- A0A085SE34
- Pockets
- 11 · best druggability 0.66
Structure
x-ray diffraction · 4 distinct chains · 32% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemin-degrading HEMS.CHUX domain protein | protein | 163 | 28% helix, 33% strand | A0A085SE34 |
| B, E, F | Hemin-degrading HEMS.CHUX domain protein | protein | 167 | 36% helix, 35% strand | A0A085SE34 |
| C | Hemin-degrading HEMS.CHUX domain protein | protein | 165 | 30% helix, 33% strand | A0A085SE34 |
| D | Hemin-degrading HEMS.CHUX domain protein | protein | 165 | 35% helix, 33% strand | A0A085SE34 |
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 725 | 0.66 | 0.75 | 58 | empty |
| 2 | 611 | 0.64 | 0.75 | 70 | empty |
| 3 | 448 | 0.62 | 0.76 | 57 | empty |
| 4 | 429 | 0.60 | 0.75 | 43 | empty |
| 5 | 349 | 0.58 | 0.76 | 41 | empty |
Interfaces
7 interfaces between chains.
- A–B · 1108 Ų buried · 19 hydrogen bonds · protein-protein
- E–F · 1108 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1088 Ų buried · 12 hydrogen bonds · protein-protein
- C–F · 927 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 484 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5EXV · Crystal structure of heme binding protein HutX from Vibrio cholerae · 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 A0A085SE34
- Elsewhere: RCSB PDB 5EXV · PDBe 5EXV · UniProt A0A085SE34
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