MolNFT v1 · #102236 · protein
Crystal structure of a truncated catalytic core of the 2-oxoacid dehydrogenase multienzyme complex from thermoplasma acidophilum
4OFS · Probable lipoamide acyltransferase: “Crystal structure of a truncated catalytic core of the 2-oxoacid dehydrogenase multienzyme complex from…”. X-ray diffraction, 19 pockets (best druggability 0.80). MolNFT v1 #102236 on GenesisL1…
- PDB
- 4OFS
- Type
- protein
- Length
- 1,285 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable lipoamide acyltransferase
- EC
- 1.2.4.4
- UniProt
- Q9HIA5
- Pockets
- 19 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Probable lipoamide acyltransferase (EC 1.2.4.4) | protein | 214 | 37% helix, 24% strand | Q9HIA5 |
| F | Probable lipoamide acyltransferase (EC 1.2.4.4) | protein | 215 | 37% helix, 23% strand | Q9HIA5 |
Pockets
19 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1162 | 0.80 | 0.81 | 128 | empty |
| 2 | 212 | 0.68 | 0.85 | 45 | empty |
| 3 | 205 | 0.68 | 0.85 | 37 | empty |
| 4 | 257 | 0.67 | 0.83 | 51 | empty |
| 5 | 241 | 0.66 | 0.83 | 44 | empty |
Interfaces
9 interfaces between chains.
- D–E · 1585 Ų buried · 24 hydrogen bonds · protein-protein
- E–F · 1581 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 1570 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1564 Ų buried · 23 hydrogen bonds · protein-protein
- D–F · 1555 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4OFS · Crystal structure of a truncated catalytic core of the 2-oxoacid dehydrogenase… · the same entry in another collection · chain E against E, 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 4OFS · PDBe 4OFS · UniProt Q9HIA5
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