MolNFT v1 · #77821 · protein
Crystal structure of the catalytic core of the 2-oxoacid dehydrogenase multienzyme complex from thermoplasma acidophilum
3RQC · Probable lipoamide acyltransferase: “Crystal structure of the catalytic core of the 2-oxoacid dehydrogenase multienzyme complex from thermoplasma…”. X-ray diffraction, 20 pockets (best druggability 0.72). MolNFT v1 #77821 on…
- PDB
- 3RQC
- Type
- protein
- Length
- 1,522 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable lipoamide acyltransferase
- EC
- 1.2.4.4
- UniProt
- Q9HIA5
- Pockets
- 20 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 36% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E, G | Probable lipoamide acyltransferase (EC 1.2.4.4) | protein | 217 | 37% helix, 23% strand | Q9HIA5 |
| B, D | Probable lipoamide acyltransferase (EC 1.2.4.4) | protein | 218 | 36% helix, 21% strand | Q9HIA5 |
| C | Probable lipoamide acyltransferase (EC 1.2.4.4) | protein | 220 | 38% helix, 20% strand | Q9HIA5 |
| F | Probable lipoamide acyltransferase (EC 1.2.4.4) | protein | 215 | 32% helix, 22% strand | Q9HIA5 |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 62 | 0.72 | 0.98 | 17 | empty |
| 2 | 350 | 0.71 | 0.84 | 42 | empty |
| 3 | 301 | 0.71 | 0.84 | 49 | empty |
| 4 | 628 | 0.70 | 0.78 | 59 | empty |
| 5 | 210 | 0.68 | 0.85 | 35 | empty |
Interfaces
8 interfaces between chains.
- B–C · 1650 Ų buried · 19 hydrogen bonds · protein-protein
- D–F · 1649 Ų buried · 27 hydrogen bonds · protein-protein
- A–B · 1627 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 1557 Ų buried · 16 hydrogen bonds · protein-protein
- D–E · 1545 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 3RQC · Crystal structure of the catalytic core of the 2-oxoacid dehydrogenase multienzyme… · 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 Q9HIA5
- Elsewhere: RCSB PDB 3RQC · PDBe 3RQC · UniProt Q9HIA5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.