MolNFT v1 · #40437 · protein
Crystal structure of the putative oxidoreductase (glucose dehydrogenase) (TTHA0570) from thermus theromophilus HB8
2ISM: “Crystal structure of the putative oxidoreductase (glucose dehydrogenase) (TTHA0570) from thermus…”. X-ray diffraction, 2 ligands (CA, CL), 5 pockets (best druggability 0.78). MolNFT v1 #40437 on GenesisL1: 3D structure, binding…
- PDB
- 2ISM
- Type
- protein
- Length
- 660 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative oxidoreductase
- UniProt
- Q5SKS3
- Ligands
- CA, CL
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 2% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative oxidoreductase | protein | 327 | 2% helix, 45% strand | Q5SKS3 |
| B | Putative oxidoreductase | protein | 333 | 2% helix, 44% strand | Q5SKS3 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 755 | 0.78 | 0.82 | 71 | empty |
| 2 | 219 | 0.61 | 0.81 | 27 | empty |
| 3 | 120 | 0.56 | 0.84 | 22 | CL |
| 4 | 50 | 0.47 | 0.86 | 19 | CL |
| 5 | 88 | 0.35 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 346 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2ISM · Crystal structure of the putative oxidoreductase (glucose dehydrogenase) (TTHA0570) from… · the same entry in another collection · chain B against B, 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 Q5SKS3
- Elsewhere: RCSB PDB 2ISM · PDBe 2ISM · UniProt Q5SKS3
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