MolNFT v1 · #177968 · protein
Crystal structure of capreomycin phosphotransferase in complex with cmn iib
7F0F: “Crystal structure of capreomycin phosphotransferase in complex with cmn iib”. X-ray diffraction, 1 ligand (KBE), 2 pockets (best druggability 0.55). MolNFT v1 #177968 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7F0F
- Type
- protein
- Length
- 287 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capreomycin phosphotransferase; Dpp-ala-dpp-ual-myn-kbe
- UniProt
- Q53826
- Ligands
- KBE
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Capreomycin phosphotransferase | protein | 282 | 52% helix, 15% strand | Q53826 |
| C | Dpp-ala-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
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 250 | 0.55 | 0.77 | 26 | empty |
| 2 | 97 | 0.34 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–C · 424 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified, 1 covalent (nonstandard, covalent ligand).
Compared structures
- 7F0F · Crystal structure of capreomycin phosphotransferase in complex with CMN IIB · 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 7F0F · PDBe 7F0F · UniProt Q53826
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