MolNFT v1 · #99916 · protein
Crystal structure of the double mutant (S112A, H303A) of B.ANTHRACIS mycrocine immunity protein (mccf) with aspartyl sulfamoyl adenylates
4MI1 · Microcin immunity protein mccf: “Crystal structure of the double mutant (S112A, H303A) of B.ANTHRACIS mycrocine immunity protein (mccf) with…”. X-ray diffraction, 2 ligands (DSZ, SO4), 5 pockets (best druggability 0.59). MolNFT v1…
- 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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