MolNFT v1 · #105847 · protein
Structure of the C-terminal domain of outer-membrane protein ompa from salmonella enterica subsp. enterica serovar typhimurium str. 14028S
4RHA · Outer membrane protein a: “Structure of the C-terminal domain of outer-membrane protein ompa from salmonella enterica subsp. enterica…”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.77). MolNFT v1 #105847 on…
- PDB
- 4RHA
- Type
- protein
- Length
- 258 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Outer membrane protein a
- UniProt
- D0ZTJ5
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Outer membrane protein a | protein | 131 | 40% helix, 26% strand | D0ZTJ5 |
| B | Outer membrane protein a | protein | 127 | 42% helix, 21% strand | D0ZTJ5 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
- ACY · Acetic acid · additive
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 854 | 0.77 | 0.80 | 73 | SO4, MPD |
| 2 | 340 | 0.58 | 0.76 | 41 | SO4 |
| 3 | 103 | 0.43 | 0.78 | 18 | SO4 |
| 4 | 84 | 0.42 | 0.79 | 17 | SO4 |
Interfaces
1 interface between chains.
- A–B · 664 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 2 modified (disulfide, engineered).
Compared structures
- 4RHA · Structure of the C-terminal domain of outer-membrane protein OmpA from Salmonella… · 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 D0ZTJ5
- Elsewhere: RCSB PDB 4RHA · PDBe 4RHA · UniProt D0ZTJ5
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