MolNFT v1 · #96021 · protein
The crystal structure of a secreted protein esxb (mutant E54Q) from bacillus anthracis str. sterne
4J7K: “The crystal structure of a secreted protein esxb (mutant E54Q) from bacillus anthracis str. sterne”. X-ray diffraction, 2 pockets (best druggability 0.61). MolNFT v1 #96021 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4J7K
- Type
- protein
- Length
- 358 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Secreted protein esxb
- UniProt
- Q81R67
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · 4 distinct chains · 83% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Secreted protein esxb | protein | 90 | 83% helix, 0% strand | Q81R67 |
| B | Secreted protein esxb | protein | 93 | 78% helix, 2% strand | Q81R67 |
| C | Secreted protein esxb | protein | 91 | 85% helix, 0% strand | Q81R67 |
| D | Secreted protein esxb | protein | 84 | 87% helix, 0% strand | Q81R67 |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 302 | 0.61 | 0.79 | 48 | empty |
| 2 | 97 | 0.49 | 0.81 | 20 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1728 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1696 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 657 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 301 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4J7K · The crystal structure of a secreted protein EsxB (Mutant E54Q) from Bacillus anthracis… · 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 Q81R67
- Elsewhere: RCSB PDB 4J7K · PDBe 4J7K · UniProt Q81R67
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