MolNFT v1 · #182504 · protein
Structure of CALU17 from the calicheamicin biosynthesis pathway of micromonospora echinospora
7MSY: “Structure of CALU17 from the calicheamicin biosynthesis pathway of micromonospora echinospora”. X-ray diffraction, 3 ligands (CA, MG, CL), 2 pockets (best druggability 0.67). MolNFT v1 #182504 on GenesisL1: 3D structure, binding…
- PDB
- 7MSY
- Type
- protein
- Length
- 292 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CALU17
- UniProt
- Q8KND1
- Ligands
- CA, MG, CL
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CALU17 | protein | 292 | 27% helix, 19% strand | Q8KND1 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 6 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 134 | 0.67 | 0.88 | 30 | empty |
| 2 | 254 | 0.54 | 0.76 | 33 | CA, CL |
Compared structures
- 7MSY · Structure of CalU17 from the Calicheamicin Biosynthesis Pathway of Micromonospora… · 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 Q8KND1
- Elsewhere: RCSB PDB 7MSY · PDBe 7MSY · UniProt Q8KND1
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