MolNFT v1 · #122925 · protein
Crystal structure of the secreted extracellular protein a (sepa) from shigella flexneri
5J44 · Serine protease sepa autotransporter: “Crystal structure of the secreted extracellular protein a (sepa) from shigella flexneri”. X-ray diffraction, 13 pockets (best druggability 0.74). MolNFT v1 #122925 on GenesisL1: 3D structure…
- PDB
- 5J44
- Type
- protein
- Length
- 2,012 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serine protease sepa autotransporter
- EC
- 3.4.21.-
- UniProt
- D2AJC0
- Pockets
- 13 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Serine protease sepa autotransporter (EC 3.4.21.-) | protein | 1006 | 5% helix, 46% strand | D2AJC0 |
Ligands and binding sites
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 318 | 0.74 | 0.86 | 43 | empty |
| 2 | 439 | 0.67 | 0.79 | 51 | empty |
| 3 | 457 | 0.67 | 0.79 | 55 | empty |
| 4 | 278 | 0.59 | 0.79 | 41 | empty |
| 5 | 295 | 0.58 | 0.77 | 45 | empty |
Interfaces
1 interface between chains.
- A–B · 1049 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 5J44 · Crystal structure of the Secreted Extracellular protein A (SepA) from Shigella flexneri · 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 D2AJC0
- Elsewhere: RCSB PDB 5J44 · PDBe 5J44 · UniProt D2AJC0
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