MolNFT v1 · #119674 · protein
Preserving metallic sites affected by radiation damage the CUT2 case in thermus thermophilus multicopper oxidase
5G3E: “Preserving metallic sites affected by radiation damage the CUT2 case in thermus thermophilus multicopper…”. X-ray diffraction, 2 ligands (CU, NA), 5 pockets (best druggability 0.62). MolNFT v1 #119674 on GenesisL1: 3D structure…
- PDB
- 5G3E
- Type
- protein
- Length
- 439 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thermus thermophilus multicopper oxidase
- EC
- 1.10.3.2
- UniProt
- I7AL37
- Ligands
- CU, NA
- Pockets
- 5 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thermus thermophilus multicopper oxidase (EC 1.10.3.2) | protein | 439 | 6% helix, 49% strand | I7AL37 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 3 copies · chains A
- NA · Sodium ion · metal · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 6 copies · chains A
- MRD · (4R)-2-methylpentane-2,4-diol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 257 | 0.62 | 0.80 | 28 | MPD |
| 2 | 139 | 0.45 | 0.76 | 23 | MRD |
| 3 | 104 | 0.42 | 0.77 | 23 | empty |
| 4 | 59 | 0.34 | 0.77 | 11 | empty |
| 5 | 65 | 0.30 | 0.74 | 17 | empty |
Compared structures
- 5G3E · Preserving Metallic Sites Affected by Radiation DAmage the CuT2 CAse in THermus… · 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 I7AL37
- Elsewhere: RCSB PDB 5G3E · PDBe 5G3E · UniProt I7AL37
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