Research workbench
Crystal structure of capreomycin phosphotransferase in complex with cmn iia
Analyse Crystal structure of capreomycin phosphotransferase in complex with cmn iia in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7F0C
- Type
- protein
- Length
- 287 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capreomycin phosphotransferase; Dpp-ser-dpp-ual-myn-kbe
- UniProt
- Q53826
- Ligands
- KBE
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Capreomycin phosphotransferase | protein | 282 | 51% helix, 15% strand | Q53826 |
| C | Dpp-ser-dpp-ual-myn-kbe | protein | 5 | 0% helix, 0% strand | — |
Ligands and binding sites
- KBE · Beta-lysine · ligand · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 51 | 0.56 | 0.90 | 16 | empty |
| 2 | 273 | 0.55 | 0.76 | 28 | empty |
| 3 | 96 | 0.36 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–C · 420 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified, 1 covalent (nonstandard, covalent ligand).
Compared structures
- 7F0C · Crystal structure of capreomycin phosphotransferase in complex with CMN IIA · 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 Q53826
- Elsewhere: RCSB PDB 7F0C · PDBe 7F0C · UniProt Q53826
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