MolNFT v1 · #135641 · protein
Structure of francisella tularensis heterodimeric sspa (mgla-sspa) in complex with ppgpp
5U51 · Stringent starvation protein a: “Structure of francisella tularensis heterodimeric sspa (mgla-sspa) in complex with ppgpp”. X-ray diffraction, 2 ligands (G4P, MG), 10 pockets (best druggability 0.74). MolNFT v1 #135641 on GenesisL1…
- PDB
- 5U51
- Type
- protein
- Length
- 793 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Stringent starvation protein a; Macrophage growth locus a
- UniProt
- A0A0E2ZL39, A0A0E2ZLH6
- Ligands
- G4P, MG
- Pockets
- 10 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 58% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Stringent starvation protein a | protein | 195 | 52% helix, 9% strand | A0A0E2ZL39 |
| A | Macrophage growth locus a | protein | 203 | 62% helix, 6% strand | A0A0E2ZLH6 |
| D | Stringent starvation protein a | protein | 194 | 57% helix, 10% strand | A0A0E2ZL39 |
| B | Macrophage growth locus a | protein | 201 | 61% helix, 6% strand | A0A0E2ZLH6 |
Ligands and binding sites
- G4P · Guanosine-5',3'-tetraphosphate · ligand · 2 copies · chains C, A, D, B
- MG · Magnesium ion · metal · 2 copies · chains C, A, D
- GOL · Glycerol · additive · 5 copies · chains C, A
- 1PE · Pentaethylene glycol · additive · 2 copies · chains C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 371 | 0.74 | 0.85 | 44 | GOL |
| 2 | 443 | 0.72 | 0.82 | 55 | G4P |
| 3 | 247 | 0.71 | 0.85 | 28 | empty |
| 4 | 417 | 0.67 | 0.80 | 54 | G4P |
| 5 | 137 | 0.39 | 0.73 | 16 | empty |
Interfaces
5 interfaces between chains.
- C–A · 1003 Ų buried · 17 hydrogen bonds · protein-protein
- D–B · 976 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 102 Ų buried · 0 hydrogen bonds · protein-protein
- C–B · 77 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 14 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5U51 · Structure of Francisella tularensis heterodimeric SspA (MglA-SspA) in complex with ppGpp · the same entry in another collection · chain C against C, 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 A0A0E2ZL39
- Every structure of UniProt A0A0E2ZLH6
- Elsewhere: RCSB PDB 5U51 · PDBe 5U51 · UniProt A0A0E2ZL39 · UniProt A0A0E2ZLH6
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