Research workbench
Crystal structure of the double mutant (S112A, H303A) of B.ANTHRACIS mycrocine immunity protein (mccf) with aspartyl sulfamoyl adenylates
Analyse Crystal structure of the double mutant (S112A, H303A) of B.ANTHRACIS mycrocine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4MI1
- Type
- protein
- Length
- 668 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Microcin immunity protein mccf
- UniProt
- Q81RT8
- Ligands
- DSZ, SO4
- Pockets
- 5 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Microcin immunity protein mccf | protein | 332 | 32% helix, 23% strand | Q81RT8 |
| B | Microcin immunity protein mccf | protein | 336 | 31% helix, 22% strand | Q81RT8 |
Ligands and binding sites
- DSZ · 5'-O-(L-alpha-aspartylsulfamoyl)adenosine · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 372 | 0.59 | 0.76 | 47 | DSZ |
| 2 | 309 | 0.58 | 0.77 | 41 | DSZ |
| 3 | 86 | 0.41 | 0.78 | 22 | empty |
| 4 | 65 | 0.35 | 0.77 | 18 | empty |
| 5 | 50 | 0.26 | 0.73 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 1839 Ų buried · 42 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 modified (engineered).
Compared structures
- 4MI1 · Crystal structure of the double mutant (S112A, H303A) of B.anthracis mycrocine immunity… · 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 Q81RT8
- Elsewhere: RCSB PDB 4MI1 · PDBe 4MI1 · UniProt Q81RT8
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