MolNFT v1 · #164970 · protein
Structure of the engineered artificial aldolase I133F RA95.5-8F with a bound substrate, pentan-2-one
6TF8 · RA95.5-8F_133F: “Structure of the engineered artificial aldolase I133F RA95.5-8F with a bound substrate, pentan-2-one”. X-ray diffraction, 7 pockets (best druggability 0.74). MolNFT v1 #164970 on GenesisL1: 3D structure, binding…
- PDB
- 6TF8
- Type
- protein
- Length
- 986 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RA95.5-8F_133F
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RA95.5-8F_133F | protein | 245 | 42% helix, 16% strand | — |
| B, C | RA95.5-8F_133F | protein | 247 | 41% helix, 16% strand | — |
| D | RA95.5-8F_133F | protein | 247 | 40% helix, 15% strand | — |
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1014 | 0.74 | 0.78 | 90 | empty |
| 2 | 142 | 0.66 | 0.87 | 26 | empty |
| 3 | 139 | 0.66 | 0.87 | 25 | empty |
| 4 | 217 | 0.60 | 0.80 | 35 | empty |
| 5 | 177 | 0.57 | 0.80 | 28 | empty |
Interfaces
5 interfaces between chains.
- A–B · 476 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 456 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 160 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 121 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 102 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (nonstandard).
Compared structures
- 6TF8 · Structure of the engineered artificial aldolase I133F RA95.5-8F with a bound substrate… · 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
- Elsewhere: RCSB PDB 6TF8 · PDBe 6TF8
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