MolNFT v1 · #111442 · protein
Crystal structure of a putative oxidoreductase from thermus thermophilus HB27 (TT_P0034, target efi-513932) in its apo form
4YQZ: “Crystal structure of a putative oxidoreductase from thermus thermophilus HB27 (TT_P0034, target efi-513932)…”. X-ray diffraction, 1 ligand (CL), 9 pockets (best druggability 0.82). MolNFT v1 #111442 on GenesisL1: 3D structure…
- PDB
- 4YQZ
- Type
- protein
- Length
- 933 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative oxidoreductase
- UniProt
- Q746L9
- Ligands
- CL
- Pockets
- 9 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | Putative oxidoreductase | protein | 234 | 48% helix, 17% strand | Q746L9 |
| B | Putative oxidoreductase | protein | 231 | 46% helix, 17% strand | Q746L9 |
Ligands and binding sites
- CL · Chloride ion · ion · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1192 | 0.82 | 0.83 | 91 | empty |
| 2 | 581 | 0.76 | 0.83 | 64 | CL |
| 3 | 518 | 0.76 | 0.83 | 52 | empty |
| 4 | 618 | 0.75 | 0.81 | 61 | empty |
| 5 | 586 | 0.75 | 0.82 | 61 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1527 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 1522 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 1452 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 1403 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 161 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 4YQZ · Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034… · 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 Q746L9
- Elsewhere: RCSB PDB 4YQZ · PDBe 4YQZ · UniProt Q746L9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.