Research workbench
Crystal structure of mgla from francisella tularensis
Analyse Crystal structure of mgla from francisella tularensis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4PUR
- Type
- protein
- Length
- 398 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Macrophage growth locus, subunit a
- UniProt
- Q5NFG1
- Ligands
- MLT
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Macrophage growth locus, subunit a | protein | 200 | 63% helix, 8% strand | Q5NFG1 |
| B | Macrophage growth locus, subunit a | protein | 198 | 61% helix, 7% strand | Q5NFG1 |
Ligands and binding sites
- MLT · D-malate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.69 | 0.97 | 16 | empty |
| 2 | 371 | 0.60 | 0.77 | 46 | MLT |
| 3 | 276 | 0.57 | 0.77 | 36 | empty |
| 4 | 132 | 0.39 | 0.74 | 24 | empty |
| 5 | 109 | 0.38 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1094 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 4PUR · Crystal structure of MglA from Francisella tularensis · 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 Q5NFG1
- Elsewhere: RCSB PDB 4PUR · PDBe 4PUR · UniProt Q5NFG1
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